Uwaga! Pozycje dodane do repozytorium OPEN między 21 września a 6 października zostaną opublikowane na stronie repozytorium po tym terminie.
OPEN Repository

Welcome to OPEN - the Repository of Open Scientific Publications, run by the Interdisciplinary Centre for Mathematical and Computational Modelling, University of Warsaw, previously operating as the CeON Repository. The Repository enables Polish researchers from all fields to openly share their articles, books, conference materials, reports, doctoral theses, and other scientific texts.

Publications in the Repository are indexed by the most important search engines and aggregators and downloaded by users worldwide. We invite you to create an account, deposit your publications, and use the resources of the Repository.

23002 archived items

Recent Submissions

Item
Crystallization and topology-induced dynamical heterogeneities in soft granular clusters
(American Physical Society, 2024) Bogdan, Michał; Pineda, Jesus; Durve, Mihir; Jurkiewicz, Leon; Succi, Sauro; Volpe, Giovanni; Guzowski, Jan; Instytut Chemii Fizycznej Polskiej Akademii Nauk
Item
Adaptive 2D and Pseudo-2D Systems: Molecular, Polymeric, and Colloidal Building Blocks for Tailored Complexity
(MDPI, 2023-02-25) Zbonikowski, Rafał; Mente, Pumza; Bończak, Bartłomiej; Paczesny, Jan; Instytut Chemii Fizycznej Polskiej Akademii Nauk
Two-dimensional and pseudo-2D systems come in various forms. Membranes separating protocells from the environment were necessary for life to occur. Later, compartmentalization allowed for the development of more complex cellular structures. Nowadays, 2D materials (e.g., graphene, molybdenum disulfide) are revolutionizing the smart materials industry. Surface engineering allows for novel functionalities, as only a limited number of bulk materials have the desired surface properties. This is realized via physical treatment (e.g., plasma treatment, rubbing), chemical modifications, thin film deposition (using both chemical and physical methods), doping and formulation of composites, or coating. However, artificial systems are usually static. Nature creates dynamic and responsive structures, which facilitates the formation of complex systems. The challenge of nanotechnology, physical chemistry, and materials science is to develop artificial adaptive systems. Dynamic 2D and pseudo-2D designs are needed for future developments of life-like materials and networked chemical systems in which the sequences of the stimuli would control the consecutive stages of the given process. This is crucial to achieving versatility, improved performance, energy efficiency, and sustainability. Here, we review the advancements in studies on adaptive, responsive, dynamic, and out-of-equilibrium 2D and pseudo-2D systems composed of molecules, polymers, and nano/microparticles.
Item
Stimuli-Responsive Langmuir Films Composed of Nanoparticles Decorated with Poly(N-isopropyl acrylamide) (PNIPAM) at the Air/Water Interface
(American Chemical Society, 2023-05-31) Zbonikowski, Rafał; Iwan, Michalina; Paczesny, Jan; Instytut Chemii Fizycznej Polskiej Akademii Nauk
The nanotechnology shift from static toward stimuli-responsive systems is gaining momentum. We study adaptive and responsive Langmuir films at the air/water interface to facilitate the creation of two-dimensional (2D) complex systems. We verify the possibility of controlling the assembly of relatively large entities, i.e., nanoparticles with diameter around 90 nm, by inducing conformational changes within an about 5 nm poly(N-isopropylacrylamide)(PNIPAM) capping layer. The system performs reversible switching between uniform and nonuniform states. The densely packed and uniform state is observed at a higher temperature, i.e., opposite to most phase transitions, where more ordered phases appear at lower temperatures. The induced nanoparticles’ conformational changes result in different properties of the interfacial monolayer, including various types of aggregation. The analysis of surface pressure at different temperatures and upon temperature changes, surface potential measurements, surface rheology experiments, Brewster angle microscopy (BAM), and scanning electron microscopy (SEM) observations are accompanied by calculations to discuss the principles of the nanoparticles’ self-assembly. Those findings provide guidelines for designing other adaptive 2D systems, such as programable membranes or optical interfacial devices.
Item
Carboxylated Pillar[6]arene Emulates Pillar[5]arene in the Host–Guest Crystal Complexes and Shows Conformational Flexibility in the Solution/Gas Phase
(American Chemical Society, 2022-12-08) Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Zimnicka, Magdalena; Danylyuk, Oksana; Instytut Chemii Fizycznej Polskiej Akademii Nauk; Instytut Chemii Organicznej Polskiej Akademii Nauk
Despite the thriving interest in the aqueous complexation properties of carboxylated pillar[6]arene, its solid state supramolecular chemistry has remained a mystery. Here, overcoming challenging crystallogenesis, we report the first crystallographic authentication of carboxylated pillar[6]arene in the form of two host−guest inclusion complexes with methyl viologen and pentamidine. The key to the successful crystallization of carboxylated pillar[6]arene is the mixed ionization state of its 12 carboxylic substituents. The deprotonation of several but not all substituents enables intermolecular hydrogen bonding and, as a result, “gluing” and crystallization of pillar[6]arene complexes with the aid of carboxylic-carboxylate, carboxylic-carboxylic, and amidinium-carboxylate supramolecular synthons. Single crystal X-ray diffraction analysis revealed that upon guest inclusion pillar[6]arene adopts a quasi-pentagonal shape rather than the expected hexagonal shape. The squeezed quasi-pentagonal conformation of the six-membered macrocycle is stabilized by two intramolecular hydrogen bonds between pillar[6]arene substituents. Moreover, the distinctive deviation of the macrocycle from hexagonal shape stays operative in the solution/gas phase as concluded from ion mobility mass spectrometry (IM-MS) studies and theoretical calculations. These results provide the first insight into how to gain control over the conformation of flexible pillar[6]arene with a view of solid state design of more advanced supramolecular host−guest structures.