In addition, when varying the molecular weight of OEGMA the overall elastic modulus was affected, possibly due to molecular weight-dependent phase behavior and different reactivity. This shows that quite different microgel architectures can be obtained by the simple "one-pot" precipitation reaction of microgels which may open to new avenues toward advanced applications.A terbium(iii)-bis(phthalocyaninato) neutral complex was deposited on the rutile TiO2(110) surface, and their interaction was studied by Scanning Tunneling Microscopy (STM) and X-ray Photoelectron Spectroscopy (XPS). It was found that the TiO2 rutile surface favours the adsorption of isolated molecules adopting a lying down configuration with the phthalocyanine planes tilted by about 30° when they lie in the first layer. The electronic and chemical properties of the molecules on the surface were studied by XPS as a function of the TiO2(110) substrate preparation. This study evidences that strong molecule-substrate interactions are present and a charge transfer process occurs from the molecule to the surface.The reaction between 2,5-bis(diphenylphosphinomethyl)pyrrole and Me3SiN3 gave the new pyrrole-based bis(phosphinimine) L1H in an excellent yield. L1H reacts with [CuCl(COD)]2, AgBF4, or AgOTf to give the corresponding two-coordinate mononuclear ionic complex formulated as [M(L1H)-κ2N,N]+[X]- where M = Cu and Ag; X = [CuCl2], BF4 or OTf. Their single crystal X-ray diffraction studies confirmed the two-coordinate geometry formed by the chelate bonding mode of L1H. These 10-membered metalacycles exhibit planar chirality and were also characterized by spectroscopic methods. In addition, in all three structures, there exists a hitherto unknown π-interaction between the pyrrole ring atoms and metal, represented as η2-(Cα-N) in the copper(i) complex, and η3-(Cα-N-Cα') in the silver(i) complexes. These weak interactions were supported by DFT calculations in terms of their electron densities, non-covalent interaction plots and the decrease in the aromaticity of the pyrrole ring.To display the capability of the phenolic acid nutraceutical ferulic acid (FLA) in optimizing the in vitro/in vivo properties of the antiviral drug amantadine hydrochloride (AMH) and achieve synergistically enhanced antiviral effects, thereby gaining some new insights into pharmaceutical cocrystals of antiviral drugs with phenolic acid nutraceuticals, a cocrystallization strategy of dual optimization was created. Based on this strategy, the first drug-phenolic acid nutraceutical cocrystal of AMH with FLA, namely AMH-FLA-H2O, was successfully assembled and completely characterized by employing single-crystal X-ray diffraction and other analytical techniques. The cocrystal was revealed to be composed of AMH, FLA, and water molecules in the ratio of 3  1  1.5, and charge-assisted hydrogen bonds containing chloride ions crucially maintained the crystal lattice together with water molecules. The in vitro/in vivo properties of the cocrystal were systematically evaluated via both theoretical and experimental methods, and the results indicate that the dissolubility of AMH is down-regulated by two-thirds in the cocrystal, resulting in its potential for sustained pharmacokinetic release and the elimination of the adverse effects of AMH. More importantly, the enhanced antiviral effects of the current cocrystal were proven against four viral strains, and the pharmaceutical synergy between AMH and FLA was realized with a combination index (CI) of less than 1. Thus, the present work provides a novel crystalline product with bright commercial prospect for the classical antiviral drug AMH and also establishes an avenue for the synergetic antiviral application of nutraceutical phenolic acids via the cocrystallization strategy of dual optimization.Two-dimensional (2D) Weyl semi-half-metals (WSHMs) have attracted tremendous interest for their fascinating properties combining half-metallic ferromagnetism and Weyl fermions. In this work, we present a NiCS3 monolayer as a new 2D WSHM material using systematic first-principles calculations. It has 12 fully spin-polarized Weyl nodal points in one spin channel with a Fermi velocity of 3.18 × 105 m s-1 and a fully gapped band structure in the other spin channel. It exhibits good mechanical and thermodynamic stabilities and the Curie temperature is estimated to be 403 K. The Weyl points are protected by vertical mirror plane symmetry along Γ-K, and each of them remains gapless even under spin-orbit coupling when the direction of spin is perpendicular to the Γ-K line including the Weyl point, which makes it possible to control the opening and closing of Weyl points by applying and rotating external magnetic fields. Our work not only provides a promising 2D WSHM material to explore the fundamental physics of symmetry protected ferromagnetic Weyl fermions, but also reveals a potential mechanism of band engineering of 2D WSHM materials in spintronics.Contrast-variation small-angle neutron scattering (CV-SANS) is a widely used technique for quantifying hydration water in soft matter systems, but it is predominantly applied in the dilute regime or for systems with a well-defined structure factor. Here, CV-SANS was used to quantify the number of hydration water molecules associating with three water-soluble polymers with different critical solution temperatures and types of water-solute interactions in dilute, semidilute, and concentrated solution through the exploration of novel methods of data fitting and analysis. Multiple SANS fitting workflows with varying levels of model assumptions were evaluated and compared to give insight into SANS model selection. These fitting pathways ranged from general, model-free algorithms to more standard form and structure factor fitting. In addition, Monte Carlo bootstrapping was evaluated as a method to estimate parameter uncertainty through simulation of technical replicates. read more The most robust fitting workflow for dilute dration water molecules can be applied to polymers in any concentration regime, which will lead to improved understanding of water-polymer interactions and their impact on materials design.