This dissertation focused on computational methods based on first principles calculations using the Density Functional Theory (DFT) framework. Emphasis was laid on affordable methods that can provide a tradeoff between computational expense and accuracy.

Light-Harvesting Complex II (LHCII) is responsible for light absorption and excitation energy transfer in plants and photosynthetic algae, while in high light it undergoes conformational changes by which it quenches excitations to prevent photodamage.

Heterogeneous catalyzed processes are highly significant to the chemical industry. Dissociative chemisorption (DC) of molecules on surfaces is always considered as a step with a high degree of rate control for heterogeneous catalysis.

Promotor: Prof.dr. H.J.M. de Groot, Co-promotor: Francesco Buda

Dit proefschrift beschrijft een collectie aan alternatieve strategieën voor het begrijpen, ontwerpen en toepassen van lipide nanosystemen, waarin de rol van de bio-nano interacties centraal staan. In het bijzonder wordt gekeken naar de interactie van RNA-lipide nanosystemen, bekend van de toepassing…

Voor de omzetting van zonlicht naar brandstof

This thesis focused on the exploration of monolayer graphene as a membrane in direct methanol fuel cell (DMFC) applications, with improvements achieved through plasma exposure or damage- free chemical functionalization.

This thesis comprises the development of reproducible synthesis procedures for two-dimensional materials (composed of boron, nitrogen and carbon) on different metallic surfaces.

Promotor: Prof.dr. A.G.G.M. Tielens, Prof.dr. C. Dominik (UvA)

A new type of tripodal squaramide-based supramolecular hydrogels is developed and studied.

Molecular complexes can be used as electrocatalysts for oxygen reduction, water oxidation, and/or hydrogen peroxide production.

This thesis focuses on data found in the field of computational drug discovery. New insight can be obtained by applying machine learning in various ways and in a variety of domains. Two studies delved into the application of proteochemometrics (PCM), a machine learning technique that can be used to…

In this thesis we have discussed several parameters that affect the electrochemical conversion of enviromentaly harmful molecules such as nitrates and carbon dioxide to more valuable and less deleterious compounds, in order to cast light onto the mechanism of the reaction to achieve an efficient and…

This doctoral thesis is an effort to understand how lipid phase-separation induced by diacylglycerol analogues in lipid-based nanoparticles affects their in vivo behavior, leading to specific nanoparticle-protein communications and selective cell targeting.

The aim of this thesis is to develop and study a robust and adaptable scaffold for supramolecular polymer self-assembly in water.

This dissertation contains four works during my PhD. Different biomaterials have been designed based on coiled-coil peptides. These biomaterials have a range of applications, inclusing drug delivery, cell sorting to cell-cell fusion.

BlaC is the β-lactamase of Mycobacterium tuberculosis. We show that it can recover from inhibition by clavulanic acid and that phosphate helps it do so.

The main goal of this thesis is to achieve advanced control of binding properties in bis-pyrrolic and macrocyclic pyrrolic receptors by light.

This thesis covers various applications of topology in condensed matter physics and quantum information.

This thesis focuses on the synthesis, characterization and performance towards CO2 electroreduction of mono and bi-metallic particles based on p-block metals

A structural investigation of coiled coil peptides used as membrane fusogens, mimicing naturally occuring coiled-coil fusion proteins. Synthetic modifications have been made to alter lipid attachment, secondary structure and to insert photoactive azobenzene moieties for active control over coiled coil…

Promotor: Prof.dr. J.P. Abrahams

Promotor: Prof.dr. H.L.V. Linnartz

Fundamental understanding of molecular reactions on metal surfaces is important for improving heterogeneous catalysis.

Quantum computers are a proposed fundamentally new type of computer. They aim to perform some computations much faster than previously possible by exploiting phenomena at the quantum scale, called superposition and entanglement.

The Low Frequency Array enables studies of low-frequency carbon radio recombination lines with unprecedented sensitivity, spectral and spatial resolution.

Promotor: A.P.IJzerman Co-promotor: A. Bender

Promotor: G. J. Kroes

This thesis explores squaramide-based supramolecular polymers and hydrogels, enhancing their mechanical strength for 3D cell culture.

Prof. Hermen Overkleeft is bekroond met de 2015 Jeremy Knowles Award van de Royal Society of Chemistry voor zijn innovatieve en inzichtelijke ontwikkeling van activity-based eiwit probes voor de beeldvorming en de identificatie van enzymen in gezondheid en ziekte. Van Overkleeft is in Leiden verbonden…

De keten die patiënten voorziet van nieuwe medicijnen, bestaat uit diverse complexe schakels: van fundamentele wetenschap, tot klinische tests, tot productie. Deze hele keten is aanwezig in Leiden. De Universiteit Leiden, het Leids Universitair Medisch Centrum (LUMC) en de bedrijven op het Leiden Bio…

Hoe helpen lipasen in Mycobacterium tuberculosis de bacterie te overleven, en kunnen we deze enzymen gebruiken als doelwit voor nieuwe antibiotica?

Nog altijd lukt het niet om alle kankerpatiënten van de juiste behandeling te voorzien. Oncode Accelerator wil daarom de manier waarop we kankerbehandelingen ontwikkelen innoveren: binnen het programma wordt de patiënt centraal gesteld. Universiteit Leiden en LUMC gaan hier samen met andere partijen…

Om goed onderbouwde besluiten over complexe onderwerpen zoals het klimaat, recht en gezondheid te kunnen nemen, zijn wetenschappelijke resultaten van groot belang. Maar wetenschappelijke resultaten bevatten altijd een mate van onzekerheid. Binnen het onderzoek Communicatie over onzekerheden wordt onderzocht…

Dit zijn de mensen die binnen de Universiteit Leiden actief zijn op het gebied van kunstmatige intelligentie.

Nieuwe of betere behandelingen van (chronische) ziekten.

Decentralized plug and play systems for energy production are the future picture of our society. Artificial photosynthetic systems are used for this purpose.

Promotor: G.A. van der Marel, Co-promotor: D.C. Codée

Promotor: Prof.dr. A.G.G.M. Tielens

Promotor: M.T.M. Koper, Co-promotor: L. Juurlink

This thesis is about the study of hydrocarbons via infrared spectroscopy.

Despite the fact that gold nanoparticles (GNPs) are one of the most studied nanoparticles, there is still a necessity for new approaches allowing for effective protective coating to enable wider use of GNPs in biomedical applications.

In this dissertation, the synthesis and characterization of a series of iron complexes based on different ligand platforms are described.

Promotor: M.T.M. Koper, Co-Promotor: L.B.F. Juurlink

Heterogeneous catalysis is essential to many industrial applications. These catalysts are often comprised of supported nanoparticles, which contain various different surface sites.

Voltammetry plays a crucial role in modern scientific research by offering valuable insights into the electrochemical properties of materials, with wide-ranging applications in fields such as materials science, energy storage, corrosion studies, and sensor development.

In this thesis, we present new laboratory data of interstellar dust analogues.

Planets are formed in disks of gas and dust around young stars.