Bildehauge8305

For μ less then μ* and high Lnp, the NPs also self-assemble into chains, while being tilted with respect to the tubule's axis.In this work, we obtain detailed mechanistic and structural information on bimolecular chemical reactions occurring in solution on the second to millisecond time scales through the combination of a statistical, multivariate and theoretical analysis of time-resolved coupled X-ray Absorption Spectroscopy (XAS) and UV-Vis data. We apply this innovative method to investigate the sulfoxidation of p-cyanothioanisole and p-methoxythioanisole by the nonheme FeIV oxo complex [N4Py·FeIV(O)]2+ (N4Py = N,N-bis(2-pyridylmethyl)-N-bis(2-pyridyl)methylamine) in acetonitrile at room temperature. By employing statistical and multivariate techniques we determine the number of key chemical species involved along the reaction paths and derive spectral and concentration profiles for the reaction intermediates. LDN-193189 nmr From the quantitative analysis of the XAS spectra we obtain accurate structural information for all reaction intermediates and provide the first structural characterization in solution of complex [N4Py·FeIII(OH)]2+. The employed strategy is promising for the spectroscopic characterization of transient species formed in redox reactions.The detection of pH and water is of significance in natural and production processes. The ionothermal reactions of 4,4'-oxybisbenzoic acid (H2OBA) with Eu3+ and Tb3+ produced [M(OBA)(H2O)Cl] (M = Eu3+ (1) and Tb3+ (2)) and heteronuclear [Eu0.05Tb0.95(OBA)(H2O)Cl] (3). 3 emits the combined characteristic transitions of Eu3+ and Tb3+. Its energy transition processes can be disturbed by pH and water. The emission colors of 3 follow pH changes. It emits blue light when pH = 1-2, in which OBA2- turns into H2OBA based on the acid-base equilibrium. When pH = 3-11, the emission colors change from green to orange and ITb/IEu exhibits a linearity of ITb/IEu = 6.7482-0.5971·pH; the emissions are quenched at pH = 12-13, due to OH- destroying the delocalized conjugated system of 3. 3 shows a fluorescence response to water with a linearity of ITb/IEu = 0.30353 + 0.15042·VH2O% within 0-0.8% VH2O%. The green (G) and red (R) color intensities of the paper-based MOF sensor of 3 reveal a trinomial fitting equation of G/R = 4.16334 - 1.23014·pH + 0.14036·pH2- 0.00551·pH3 when pH = 3-11. 3 can be used as a ratiometric fluorescent sensor to detect pH and water and the paper-based MOF sensor can also be used in on-site pH detection.Creating a systematic framework to characterize the structural states of colloidal self-assembly systems is crucial for unraveling the fundamental understanding of these systems' stochastic and non-linear behavior. The most accurate characterization methods create high-dimensional neighborhood graphs that may not provide useful information about structures unless these are well-defined reference crystalline structures. Dimensionality reduction methods are thus required to translate the neighborhood graphs into a low-dimensional space that can be easily interpreted and used to characterize non-reference structures. We investigate a framework for colloidal system state characterization that employs deep learning methods to reduce the dimensionality of neighborhood graphs. The framework next uses agglomerative hierarchical clustering techniques to partition the low-dimensional space and assign physically meaningful classifications to the resulting partitions. We first demonstrate the proposed colloidal self-assembly state characterization framework on a three-dimensional in silico system of 500 multi-flavored colloids that self-assemble under isothermal conditions. We next investigate the generalizability of the characterization framework by applying the framework to several independent self-assembly trajectories, including a three-dimensional in silico system of 2052 colloidal particles that undergo evaporation-induced self-assembly.Inspired by recent experimental observations of spontaneous chain formation of cubic particles adsorbed at a fluid-fluid interface, we theoretically investigate whether capillary interactions can be responsible for this self-assembly process. We calculate adsorption energies, equilibrium particle orientations, and interfacial deformations, not only for a variety of contact angles but also for single cubes as well as an infinite 2D lattice of cubes at the interface. This allows us to construct a ground-state phase diagram as a function of areal density for several contact angles, and upon combining the capillary energy of a 2D lattice with a simple expression for the entropy of a 2D fluid we also construct temperature-density or size-density phase diagrams that exhibit large two-phase regions and triple points. We identify several regimes with stable chainlike structures, in line with the experimental observations.Cooking emissions account for a significant proportion of the organic aerosols emitted into the urban environment and high pollution events have been linked to an increased organic content on urban particulate matter surfaces. We present a kinetic study on surface coatings of self-assembled (semi-solid) oleic acid-sodium oleate cooking aerosol proxies undergoing ozonolysis. We found clear film thickness-dependent kinetic behaviour and measured the effect of the organic phase on the kinetics for this system. In addition to the thickness-dependent kinetics, we show that significant fractions of unreacted proxy remain after extensive ozone exposure and that this effect scales approximately linearly with film thickness, suggesting that a late-stage inert reaction product may form and inhibit reaction progress - effectively building up an inert crust. We determine this by using a range of simultaneous analytical techniques; most notably Small-Angle X-ray Scattering (SAXS) has been used for the first time to measure the reaction kinetics of films of a wide range of thicknesses from ca. 0.59 to 73 μm with films less then 10 μm thick being of potential atmospheric relevance. These observations have implications for the evolution of particulate matter in the urban environment, potentially extending the atmospheric lifetimes of harmful aerosol components and affecting the local urban air quality and climate.