Notes

Metabolic significance involving pancreatic excess fat deposition.
The majority of published research is included within this review, illustrating the potential as well as limitations of these processes, with the intent to showcase the power of these transformations and the obtained products in synthesis and materials chemistry.Correction for 'Bipolarons rule the short-range terahertz conductivity in electrochemically doped P3HT' by Demetra Tsokkou et al., Mater. Horiz., 2022, DOI 10.1039/d1mh01343b.Cell-penetrating poly(disulfide)s (CPDs) are promising vehicles for cytosolic delivery of proteins. However, currently available arginine-rich CPD has rarely been reported for systemic delivery due to its "always" positive charge. Herein, we developed pH-responsive CPDIMD that executes tumor targeting delivery via protonation of imidazole groups within the acidic tumor microenvironment.Membrane permeation and the partitioning of polycyclic aromatic hydrocarbons (PAHs) are crucial aspects affecting their carcinogenicity and mutagenicity. However, a clear understanding of these processes is still rare due to the difficulty of determining the details experimentally. Here, the interactions between PAHs and lipid bilayers were studied by molecular simulations, mainly to check the influence of molecular weight and orientation. The liposome-water partition coefficient (KLW), transmembrane time (τ), and permeability coefficient (P) of the PAHs were calculated by integrating free energy profiles from umbrella sampling. For selected PAHs, the membrane adsorption is a spontaneous process. The preferred location is near the CC bond and the orientation is related to the molecular structure. The P values of all the PAHs are basically the same order of magnitude, which means that the molecular weight contributes little to the process. As for KLW and τ, they show obvious increases with different molecular weights. Unconstrained simulations showed that a flat orientation on the membrane surface would prevent PAHs from being transported through the membrane. Highly hydrophobic driving forces are not always good for the absorption of PAHs, especially the formation of aggregates. In addition, the orientations and energetic barriers of PAHs near the midplane of the lipid bilayer explain the different transitions of high- and low-weight PAHs. This work provides molecular level details relating to the interactions of PAHs with lipid membranes, with significance for understanding the health effects of PAHs.Intergranular cracks originating from volume change during charging/discharging have been observed in many cathodes of lithium ion batteries, which are considered to be closely related to capacity fading. Using first principles calculations to systematically study the volume behavior of representative intercalation cathodes during delithiation, we have elucidated how Coulombic interaction and bond length affect the volume behaviors of cathodes with different structural flexibility. Jahn-Teller distortions, dopants, ionic radii, site-exchanges, and deintercalation mechanisms have also been discussed to account for the volume change of different cathode materials. This study attempts to give an integrated picture of volume change in typical lithium intercalation cathodes and strives to provide helpful clues to the design of high-capacity-maintaining cathodes.The exchange of animal-based for plant-based proteins is becoming more and more popular due to an increasing demand for alternative and more sustainable protein sources. In this study, solubilized water- (ws) or salt-and-water (sws) meat proteins were evaluated in their pH-dependent interactions with soluble protein fractions from wheat, pumpkin, sunflower, rapeseed, or potato proteins. For this purpose, 1  1 (v/v) mixtures of 1.0 wt% meat (ws or sws) and plant proteins were prepared at a sodium chloride concentration of 1.8 wt% (ionic strength 0.31 mol L-1) and adjusted to different pH-values in between 4.5-7.0. While only slight differences were found upon comparison of interactions of ws and sws batches (p > 0.05), interactions among these animal-based and soluble plant proteins took place. First, optical observations, light microscopy, and SDS-PAGE revealed increasing protein solubility with increasing pH. Second, particle size distributions (PSDs) revealed a shift towards slightly larger particle sizes e.g. at pH 5.3 and 7.0 with d4,3 of 43.2 and 21.3 μm (sws) to 45.4 and 23.9 μm (sws + potato), respectively. Furthermore, heat-induced gel formation was improved at pH > 6.0, in particular in mixtures of meat and wheat or rapeseed proteins that formed a homogenous gel structure. Based on the obtained results, protein-protein complexations mainly by electrostatic forces are suggested which occur due to various pI of meat and plant proteins e.g. pH 7.5 (wheat), 7.2 (potato), and 6.6 (rapeseed) in comparison to 5.1 (ws) and 5.6 (sws). The filamentous microstructure of some gels (soluble fraction of rapeseed, potato and wheat proteins) led to the assumption that meat proteins, mainly at pH values greater than 5.8 (optimally ≥6.5), had a structuring effect on plant proteins.We report that the previously reported square lattice coordination network [Ni(4,4'-bipyridine)2(NCS)2]n, sql-1-Ni-NCS, undergoes acetylene induced switching between closed (nonporous) and open (porous) phases. The resulting stepped sorption isotherms exhibit temperature controlled steps, consistent high uptake and benchmark working capacity (185 cm-3 g-1 or 189 cm-3, 1-3.2 bar, 288 K) for acetylene storage.Antimicrobial peptides (AMPs) are attractive antimicrobial agents used to combat bacterial infections, and have been advanced to be one of the most promising alternatives to conventional antibiotics. They stand out for their attractive broad-spectrum activity, unmatched antibacterial mechanism that is not prone to develop drug resistance and diversified topologies, which can be fabricated with manifold amino acid blocks. In this study, using n-hexylamine and amine-terminated polyamidoamine dendrimers (Gx-PAMAM, x = 1-2) as initiators, a series of AMPs with linear and star-shaped topological structures were constructed via the controllable ring-opening polymerization (ROP) of N-carboxyanhydrides (NCAs). The antibacterial performances of the tailored linear and star-shaped AMPs were comprehensively evaluated in both solution states and surface-bonded states. The results indicated that the star-shaped AMPs exhibited enhanced bactericidal activity against Gram-negative E. coli and similar bactericidal activity against Gram-positive S. aureus when compared with the linear AMPs. It is worth mentioning that star-shaped AMPs demonstrated a significantly faster bactericidal efficiency (completely killed bacteria within 5 min at a concentration of 2 × MIC for S. aureus) than their linear analogues (took 15 min to achieve the same effect). However, when the AMPs were immobilized to the surface, they similarly exhibited superior antibacterial activity and fast bactericidal efficiency towards S. aureus and E. coli in the case of the same surface grafting amount. In addition, both the surfaces grafted with AMPs of different topologies demonstrated favorable biocompatibility in vitro.This study aimed to investigate the diffusivities of lysozyme (LYS), ovalbumin (OVA), and hyaluronic acid (HA) in buffered solvents using dynamic light scattering (DLS). Phleomycin D1 For protein/solvent and HA/solvent binary systems, the diffusion coefficients of protein or HA were obtained from autocorrelation function (ACF) curve fitting. Whereas, for protein/HA/solvent ternary systems, the two eigenvalues of the mutual diffusion coefficient matrix were obtained from ACF curve fitting. The results of binary systems showed that at low ionic strength, the diffusion coefficients of protein and HA increased linearly with concentration; at high ionic strength, the diffusion coefficients of OVA and LYS were independent on protein concentration; for HA, the positive linear relationship between diffusion coefficient and concentration existed at high and low ionic strengths, but the slope at high ionic strength was smaller compared to that at low ionic strength. For OVA/HA/solvent ternary systems, the sum of two eigenvalues (D1DLS + D2DLS) was slightly smaller compared to (DOVA + DHA), where DOVA and DHA were the diffusion coefficients in their binary systems. On the contrary, for LYS/HA/solvent ternary systems, (D1DLS + D2DLS) were significantly smaller than (DLYS + DHA) and the diffusion coefficients in binary and ternary systems exhibited an opposite trend with respect to ionic strength change. The DLS and MD simulation results indicated strong attractive intermolecular interaction existed between LYS and HA molecules, especially at low ionic strength. By using DLS, it was possible to characterize the diffusion coefficients of diluted protein/HA binary and ternary systems.The Monkhorst-Pack scheme is applied in Phys. Chem. Chem. Phys., 2021, 23, 6717 to study superconductivity in transition metallic hydrides, implying that umklapp phonons have been excluded. But in a superconductor scattered electrons should be able to cover the entire Fermi surface so that umklapp phonons must be included. The authors should take care to explain if and how measures were taken to include umklapp phonons for electron-phonon scattering.A benzothiadiazole-involving donor-acceptor (D-A) covalent organic framework (COF), which has high crystallinity and strong light-harvesting capability (ranging from 300 to 800 nm), can serve as a highly effective photocatalyst for window ledge aerobic cross-dehydrogenative coupling (CDC) reactions (such as Mannich and aza-Henry reactions) even at a gram level.A defining characteristic of nearly all catalytically functional MOFs is uniform, molecular-scale porosity. MOF pores, linkers and nodes that define them, help regulate reactant and product transport, catalyst siting, catalyst accessibility, catalyst stability, catalyst activity, co-catalyst proximity, composition of the chemical environment at and beyond the catalytic active site, chemical intermediate and transition-state conformations, thermodynamic affinity of molecular guests for MOF interior sites, framework charge and density of charge-compensating ions, pore hydrophobicity/hydrophilicity, pore and channel rigidity vs. flexibility, and other features and properties. Collectively and individually, these properties help define overall catalyst functional behaviour. This review focuses on how porous, catalyst-containing MOFs capitalize on molecular-scale confinement, containment, isolation, environment modulation, energy delivery, and mobility to accomplish desired chemical transformations with potentially superior selectivity or other efficacy, especially in comparison to catalysts in homogeneous solution environments.Solubility and functionality of polymeric materials are essential properties determining their role in any application. In that regard, double hydrophilic copolymers (DHC) are typically constructed from two chemically dissimilar but water-soluble building blocks. During the past decades, these materials have been intensely developed and utilised as, e.g., matrices for the design of multifunctional hybrid materials, in drug carriers and gene delivery, as nanoreactors, or as sensors. This is predominantly due to almost unlimited possibilities to precisely tune DHC composition and topology, their solution behavior, e.g., stimuli-response, and potential interactions with small molecules, ions and (nanoparticle) surfaces. In this contribution we want to highlight that this class of polymers has experienced tremendous progress regarding synthesis, architectural variety, and the possibility to combine response to different stimuli within one material. Especially the implementation of DHCs as versatile building blocks in hybrid materials expanded the range of water-based applications during the last two decades, which now includes also photocatalysis, sensing, and 3D inkjet printing of hydrogels, definitely going beyond already well-established utilisation in biomedicine or as templates.
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