SimulationsPolymersSegmental DynamicsPolyelectrolytesSpectroscopyAdsorptionEthylene glycolMicrophase separationLiquid-liquid phase separationTransitions2019MorphologyProcessesChemistryReactionMembraneTunableConfinementBiomolecularProtein dynamicsFluidFlowsTheoreticalPharmaceuticsSyntheticMethodsCrystallizationPerturbExposureBlendsTheoryProteinsMoleculesModelingStructuresTiO2BehaviorRegulationStimuliMammalian
Simulations7
- His interests also include advanced approaches to couple molecular dynamics with quantum mechanical simulations as well as accelerate stochastic simulations. (wikipedia.org)
- Sing, C.E. "Dynamics and Rheology of Ring-Linear Semidilute Solutions in Extensional Flow: Modeling and Molecular Simulations. (illinois.edu)
- Simulations of viral dynamics and patient adherence patterns indicate that such systems would significantly reduce therapeutic failures and epidemiological modelling suggests that using such an intervention prophylactically could avert hundreds of thousands of new HIV cases. (nature.com)
- Measuring pico-Newton forces with lipid anchors as force sensors in molecular dynamics simulations. (mpg.de)
- Research topics include improved molecular dynamics and Monte Carlo simulations, efficient quantum dynamics techniques, electronic structure methods that yield a deeper understanding of intermolecular forces, and the incorporation of machine learning in theoretical chemistry. (gatech.edu)
- In any online romantic relationships in emerging adulthood, the application must get potential characteristics: small and next two-phase simulations, for which some sequential authors are provided used in the porosity. (mariacocchiarelli.com)
- We investigate mechanical properties of polymer composites of poly(3-hexylthiophene) (P3HT) and fullerene C 60 using coarse-grained molecular dynamics (CGMD) simulations, where the P3HT monomer unit and C 60 are represented by three CG beads and a single CG bead. (aps.org)
Polymers2
- Crosslinked acrylic polymers from aqueous phase of biomass pyrolysis oil and acrylated epoxidized soybean oil. (auburn.edu)
- Using time-resolved electron paramagnetic resonance (EPR) spectroscopy in conjunction with optical excitation we study charge separation in conjugated polymers blended with [6,6]-phenyl C61-butyric acid methyl ester (PCBM). (uni-potsdam.de)
Segmental Dynamics2
- Schweizer, K.S. "How Segmental Dynamics and Mesh Confinement Determine the Selective Diffusivity of Molecules in Crosslinked Dense Polymer Networks. (illinois.edu)
- Aggregation States and Segmental Dynamics of Poly(methyl methacrylate) in Nanofiber Mats. (acs.org)
Polyelectrolytes1
- Qin, J. "Bridging Field Theory and Ion Pairing in the Modeling of Polyelectrolytes and Complex Coacervation. (illinois.edu)
Spectroscopy2
- Recent advances in multidimensional spectroscopies (such as two-dimensional electronic-vibrational spectroscopy and ultrafast X-ray-optical spectroscopies) have made it possible to capture excitation dynamics in a wide variety of materials with unprecedented spatial and temporal resolution. (phys-acs.org)
- Articles, abstracts, and book chapters citing Globals Software (Globals Unlimited, Globals for Spectroscopy, and Globals for Images aka SimFCS) by authors not affiliated with the Laboratory for Fluorescence Dynamics (LFD). (uci.edu)
Adsorption2
- His research on nanoparticle synthesis was frequently combined in the impact on applications including catalysis, adsorption, and separation via membranes. (wikipedia.org)
- Adsorption of polyethylene and polypropylene by zeolites: Inside or outside? (ncsu.edu)
Ethylene glycol1
- Oxidized catechol-derived poly (ethylene glycol) for thiol-specific conjugation. (jenkem.com)
Microphase separation2
- Using block copolymers as matrices for organizing metal and semiconductor NPs through microphase separation leads to hierarchical NP assemblies, but control over NP location within the hosting domains is usually limited to one-dimensional distribution. (aps.org)
- Such choice of polymeric components leads to a situation where the microphase separation of the block copolymer precedes the macrophase separation of the NPs from the copolymer. (aps.org)
Liquid-liquid phase separation3
- We show examples of purely entropic fluid-fluid transitions that precede crystallization, just as liquid-liquid phase separation precedes crystallization in tetrahedrally bonded molecular liquids and in protein solutions. (ucsb.edu)
- I was thrilled and honored to share the 2020 Wiley Prize with my friends and colleagues, Cliff Brangwynne and Tony Hyman, and I am pleased to have the opportunity to explain how my lab came upon multivalency-driven liquid-liquid phase separation and intersected with Cliff and Tony. (hymanlab.org)
- This philosophy from early in my scientific career stuck with me, and I believe was instrumental in my lab's contribution to the discovery of multivalency-driven liquid-liquid phase separation as a general principle in cell organization. (hymanlab.org)
Transitions4
- During his time in graduate school, Dionisios prepared thirteen journal publications with his advisor including: D. G. Vlachos, L. D. Schmidt, and R. Aris, The Effect of Phase Transitions, Surface Diffusion, and Defects on Surface Reactions: Fluctuations and Oscillations, J. Chem. (wikipedia.org)
- D.G. Vlachos, L.D. Schmidt, R. Aris Structures of Small Metal Clusters: Isomerization and Phase Transitions, Journal of Chemical Physics 96, 6891 (1992). (wikipedia.org)
- Note that all first-order phase transitions are hysteretic and often slow, constraining the measurement of the kinetic hysteresis (and differentiating it from thermodynamics) by measuring the system response as a function of time. (springeropen.com)
- These diverse materials may exhibit time-dependent structures under transient or out-of-equilibrium conditions resulting from for example self-assembly processes, phase transitions or in response to external fields, such as flow. (lu.se)
20191
- A 30 kDa polyethylene glycol-enfuvirtide complex enhances the exposure of enfuvirtide in lymphatic viral reservoirs in rats, European Journal of Pharmaceutics and Biopharmaceutics, 2019. (jenkem.com)
Morphology1
- Effect of capillary fluid flow on single cancer cell cycle dynamics, motility, volume and morphology. (mpg.de)
Processes3
- Poland) Control of complex combustior processes. (cia.gov)
- To address this knowledge gap and provide a fully first-principles approach to modeling excited-state processes in the condensed phase, recently developed theoretical methods aim to capture important components of the problem, including couplings to nuclear motion, environmental polarization effects, and couplings between different excited states. (phys-acs.org)
- Understanding the underlying complex crystallization processes of such innovative polythioethers is critical for their application, for example, in polymer coating technologies. (uni-freiburg.de)
Chemistry3
- Vlachos' research has focused on four areas of chemical engineering and materials science: His contributions to catalysis and surface chemistry have addressed the challenges associated with combining experiment, calculation and modeling for complex catalysis. (wikipedia.org)
- Vlachos' approach to modeling is identified by its breadth of scale from molecular, to particle, and macroscale for applications across reaction chemistry, separations, and biology. (wikipedia.org)
- Theoretical Chemistry involves the development of new mathematical models to describe the properties of molecules, using techniques from quantum mechanics, statistical mechanics, and chemical dynamics. (gatech.edu)
Reaction1
- Prof. Wolynes' pioneering work, with its numerous brilliant and piercing insights, has changed the thinking and direction of modern experimental, theoretical, and computational research in many different fields, including protein folding and dynamics, the glass transition, and reaction dynamics, among others. (phys-acs.org)
Membrane3
- Each, synergistically, made groundbreaking contributions to the discovery that membrane-less organelles are liquid-liquid phase-separated entities. (hymanlab.org)
- BTK, a TEC-family tyrosine kinase activated by the B-cell antigen receptor, contains a variety of regulatory domains and it is subject to complex regulation by membrane phospholipids, protein ligands, phosphorylation, and dimerization. (elifesciences.org)
- In model, the most deterministic and proportional printing prior has how to be the time fields( Inflation gradients) also with the standard distributions into the flow, possible as how to be the separation photolysis, optimal portfolio across the monitoring into the membrane, and how to create up the work Eulerian-Lagrangian that the finite-volume is the algebraic transponders of type modeling on the blocker microstructure. (mariacocchiarelli.com)
Tunable1
- Tunable poly(aryleneethynylene) networks prepared by emulsion templating for visible-light-driven photocatalysis. (ki.si)
Confinement2
- Sing, C.E. "Simulation Study of the Effects of Polymer Network Dynamics and Mesh Confinement on the Diffusion and Structural Relaxation of Penetrants. (illinois.edu)
- Through molecular confinement of low-molecular-weight poly(L-lactic acid) (PLLA) segments by polysiloxane blocks and processing at far-from-equilibrium conditions, PLLA crystallization into lamellae of a few nm in thickness with coherence lengths below 100 nm was achieved, thus giving access to films that are optically transparent for over 5 years, possess high Young's modulus and elongation at break, undergo controlled degradation, and support functional endothelialization. (uni-freiburg.de)
Biomolecular1
- Wetting and complex remodeling of membranes by biomolecular condensates. (mpg.de)
Protein dynamics2
- To characterize the full repertoire of internal protein dynamics also perturb the internal motions under study. (lu.se)
- While the structural protein remains fully hydrated, measures residual dipolar database is approaching completeness (with respect to new couplings from a protein dissolved in an aligned medium.6 This folds), our knowledge of protein dynamics is still highly method can give information about the angular amplitude of fragmented. (lu.se)
Fluid4
- The project within these areas will feature multi-scale experiements, molecular modelling and simulation, pore-scale modelling, computaional fluid and solid dynamics, machine-learning and big data analytics, and process systems modelling and optimization. (imperial.ac.uk)
- yet, the counterintuitive notion that particles with no interactions other than excluded volume might self-assemble from a fluid phase into an ordered crystal has been known since the mid-20th century. (ucsb.edu)
- In this talk, we show how entropy alone can produce order and complexity beyond that previously imagined, both in colloidal crystal structure as well as in the kinetic pathways connecting fluid and crystal phases. (ucsb.edu)
- Controlling fluid flow in microfluidic devices and adapting it to varying conditions by selectively regulating hydrodynamic properties is of critical importance, as the field of microfluidics faces increasingly complex challenges in its wide range of applications. (uni-freiburg.de)
Flows3
- This £5M EPSRC-funded project ( www.memphis-multiphase.org ), led by Omar Matar,is a collaboration between Imperial, Birmingham, Nottingham and UCL to create the next generation modelling tools for complex multiphase flows. (imperial.ac.uk)
- This phase of co-ordinated research topics continues the very successful investigations to improve industry's ability to understand Transient Multiphase Flows. (imperial.ac.uk)
- Although physiological eV for each of these equations may consider integrated with one or more wet perturbations or tools of complex, specific flows and analysts are the inputs. (mariacocchiarelli.com)
Theoretical1
- The combination of new time- and spatial-resolved experimental methods combined with computational and theoretical approaches is required to determine the complex nonlinear and time-varying response to deformations which is often also non-homogeneous. (lu.se)
Pharmaceutics1
- Development of long-acting ciliary neurotrophic factor by site-specific conjugation with different-sized polyethylene glycols and transferrin, International Journal of Pharmaceutics, 2017. (jenkem.com)
Synthetic2
- Using the knowledge acquired, we build a synthetic circuit that allows obtaining two gene expression programs depending solely on TF dynamics. (optobase.org)
- These results help elucidate how gene expression is regulated in mammalian cells and open up the possibility to build complex synthetic circuits steered by TF dynamics. (optobase.org)
Methods1
- Much of the available information about protein internal motions slower than protein tumbling, but it cannot dynamics has come from methods that exploit nuclear spin furnish the rates (or correlation times) of these motions. (lu.se)
Crystallization1
- A complex crystallization behavior was observed for the alternating copolymer DMDS-alt-DVE synthesized via thiol-ene step-growth polymerization. (uni-freiburg.de)
Perturb1
- When coupled with the amyotrophic lateral sclerosis (ALS)-associated C9ORF72 proline/arginine-rich dipeptide repeats, pNUTs allow us to photomanipulate poly-proline-arginine nucleolar localization, perturb nucleolar protein nucleophosmin 1 and suppress nascent protein synthesis. (optobase.org)
Exposure1
- With the addition of a photo acid generator, photo-induced disorder in PEO-b-PtBA/tartaric acid composite system can be achieved upon UV exposure to deprotect PtBA block to yield poly(acrylic acid) (PAA), which is phase-miscible with PEO. (aps.org)
Blends1
- The strong triplet signal is not observed in blends containing the Si-bridged polymer, indicating efficient singlet exciton splitting and subsequent charge carrier separation at the Si-PCPDTBT/PCBM interface. (uni-potsdam.de)
Theory1
- teorii'massyn oieplnyoh politechniki hlqskiej (Department of the Theory of Heat Engines, Silesian Polytechnic SUBMITTEDt December'- 1961 Card 2/2. (cia.gov)
Proteins1
- Multiple optogenetic devices have been developed to manipulate nuclear protein import and export, but molecular tools tailored for remote control over selective targeting or partitioning of cargo proteins into subnuclear compartments capable of phase separation are still limited. (optobase.org)
Molecules3
- Other research has addressed liquid phase dehydration and/or hydrodeoxygenation of biomass-derived molecules such as furfural, dimethylfuran, or benzoic acid. (wikipedia.org)
- Schroeder, C.M. "Dynamics and Rheology of Ring-Linear Semidilute Solutions in Extensional Flow: Single Molecules Experiments. (illinois.edu)
- However, random variations (noise) that affect how many of these molecules are produced, how they move through the space between cells and how they bind to receptors makes the reality much more complex. (elifesciences.org)
Modeling1
- His interest in nanoparticles includes his master's thesis entitled, "Step Dynamics for Modeling of Crystal Surfaces. (wikipedia.org)
Structures2
- Colloidal quasicrystals, clathrate structures, and structures with large and complex unit cells typically associated with metal alloys, can all self-assemble from a disordered phase of identical particles due solely to entropy maximization. (ucsb.edu)
- These alternating copolymers have polymorphic traits, resulting in different phases that may display distinct crystalline structures. (uni-freiburg.de)
TiO21
- The TEM and XRD analyses show that the prepared TiO2 nanobelts are in the monoclinic phase. (infim.ro)
Behavior4
- There are different energetic contributions governing their phase behavior in bulk and in thin films. (aps.org)
- Here, we present our recent studies on the phase behavior of supramolecular nanocomposites in thin films. (aps.org)
- Phase behavior and morphologies within both bulk and thin films were studied by TEM, AFM and X-ray scattering. (aps.org)
- We applied calorimetric techniques encompassing seven orders of magnitude in scanning rates to further explore this complex polymorphic behavior. (uni-freiburg.de)
Regulation1
- This approach makes it possible to pull out almost all components being part of any specific biological machinery and allows for an unbiased, genome-wide, identification of components and networks involved in, for example, stress granule regulation, protein phase separation condensate formation, protein quality control machinery, protein aggregate formation and inheritance and epigenetic silencing. (gu.se)
Stimuli1
- the challenge is to visualize and explore the data in ways that allow decoupling of various local dynamics under external physical and chemical stimuli. (springeropen.com)
Mammalian2
- Requirements for mammalian promoters to decode transcription factor dynamics. (optobase.org)
- Mammalian toxicity of munitions compounds: Phase I. Acute oral toxicity, primary skin and eye irritation, dermal sensitization, disposition and metabolism, and Ames tests of additional compounds. (cdc.gov)