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In respect to the clinically used contrast agents this material has the advantage of generating contrast without the use of potentially toxic paramagnetic metal ions.A novel delivery system for cisplatin was constructed based on electrostatics-mediated assemblies of gold nanoclusters and PEGylated cationic peptide (cisplatin@GC-pKs). Encapsulated cisplatin in the as-formed micelle like assemblies was observed to demonstrate improved cellar uptake and enhanced chemotherapeutic efficiency in the cisplatin-resistant lung cancer cells. In vivo assays further confirmed that cisplatin@GC-pKs had profound anti-tumor efficiency due to deep penetration and accumulation of nanoscale cisplatin@GC-pKs via the enhanced permeability and retention (EPR) effect at tumor tissues. The constructed cisplatin@GC-pKs in this work demonstrated enhanced anti-tumor activity for lung cancer therapy, as well as a potential treatment strategy for a variety of cisplatin-resistance related malignancies.Nucleotide-binding oligomerization domain 2 (NOD2) is an intracellular receptor that recognizes the bacterial peptidoglycan fragment muramyl dipeptide (MDP). Our group has synthesized and biologically evaluated desmuramyl peptides containing adamantane and its mannose derivatives. The most active mannosylated derivative, ManAdDMP (Man-OCH2-d-(1-Ad)Gly-l-Ala-d-isoGln), is further characterized in silico in this study. We built intact model structures of the rabbit NOD2 protein, whose crystal structure lacks seven loops, and explored the binding of ManAdDMP. Two main binding sites for ManAdDMP are located within the nucleotide-binding oligomerization domain (NOD) and C-terminal leucine-rich repeat (LRR) domains. Our analysis shows that the dipeptide isoGln moiety of ManAdDMP significantly contributes to the binding, whereas the mannose moiety interacts with modelled loop 7, which is a part of the NOD helical domain 2. The presented results point to the importance of loops 2 and 7 in ligand recognition that could be useful for further investigation of NOD2 activation/inhibition.Doxorubicin is an efficient chemotherapeutic reagent in the treatment of a variety of cancers. A-366 cell line However, its underlying molecular mechanism is not fully understood and several severe side effects limit its application. In this study, the dynamic transcriptomic response of Saccharomyces cerevisiae cells to a doxorubicin pulse in a chemostat system was investigated to reveal the underlying molecular mechanism of this drug. The clustering of differentially and significantly expressed genes (DEGs) indicated that the response of yeast cells to doxorubicin is time dependent and may be classified as short-term, mid-term and long-term responses. The cells have started to reorganize their response after the first minute following the injection of the pulse. A modified version of Weighted Gene Co-expression Network Analysis (WGCNA) was used to cluster the positively correlated co-expression profiles, and functional enrichment analysis of these clusters was carried out. DNA replication and DNA repair processes were significantly affected and induced 60 minutes after exposure to doxorubicin. The response to oxidative stress was not identified as a significant term. A transcriptional re-organization of the metabolic pathways seems to be an early event and persists afterwards. The present study reveals for the first time that the RNA surveillance pathway, which is a post-transcriptional regulatory pathway, may be implicated in the short-term reaction of yeast cells to doxorubicin. Integration with regulome revealed the dynamic re-organization of the transcriptomic landscape. Fhl1p, Mbp1p, and Mcm1p were identified as primary regulatory factors responsible for tuning the differentially expressed genes.The Cahn-Hilliard equation is commonly used to study multi-component soft systems such as polymer blends at continuum scales. We first systematically explore various features of the equation system, which give rise to a deep connection between transport and thermodynamics-specifically that the Gibbs free energy of mixing function is central to formulating a well-posed model. Accordingly, we explore how thermodynamic models from three broad classes of approach (lattice-based, activity-based and perturbation methods) can be incorporated within the Cahn-Hilliard equation and examine how they impact the numerical solution for two model polymer blends, noting that although the analysis presented here is focused on binary mixtures, it is readily extensible to multi-component mixtures. It is observed that, although the predicted liquid-liquid interfacial tension is quite strongly affected, the choice of thermodynamic model has little influence on the development of the morphology.Luminescence is one of the key properties of octahedral molybdenum cluster complexes and the basis for most areas of their possible practical applications. Nevertheless, the factors affecting the optical properties of the clusters are insufficiently studied and establishing them will allow us to tune both absorption and emission more precisely. In this work, we obtained two new cationic [Mo6I8(H2O)4(OH)2](An)2·nH2O (An = NO3-, n = 3; An = OTs-, n = 2, OTs- - p-toluenesulfonate), and two neutral [Mo6I8(H2O)2(OH)4]·nH2O (n = 2, 12) aquahydroxo complexes. Due to the similar compositions of the clusters obtained, we determined the influence of crystal packing and ligand environment on the absorption and photo- and radioluminescence properties. Thus, the four-component nature of the cluster emission was established using Gaussian deconvolution of the photoluminescence spectra. It was shown that the influence of both ligand type and crystal density decreases when moving to the red (lower-energy) part of the spectra, with only the first two components located in the blue (higher-energy) part of the spectra being strongly affected. Also, it was found that protonation of two hydroxo ligands leads to a significant decrease in absorption in the visible spectral region.The surfaces of indwelling catheters offer sites for the adherence of bacteria to form biofilms, leading to various infections. Therefore, the development of antibacterial materials for catheters is imperative. In this study, combining the strong antibacterial effect of a quaternary ammonium salt (QAS) and the high biocompatibility of tannic acid (TA), we prepared a quaternary tannic acid (QTA) by grafting a synthesized quaternary ammonium salt, dimethyl dodecyl 6-bromohexyl ammonium bromide, onto TA. To prepare antibacterial catheters, QTA was blended with thermoplastic polyurethane (TPU) via melt extrusion, which is a convenient and easy-to-control process. Characterization of the TPU blends showed that compared with those of the QAS, dissolution rate and biocompatibility of QTA were significantly improved. On the premise that the introduction of QTA had only a slight effect on the original mechanical properties of pristine TPU, the prepared TPU/QTA maintained satisfactory antibacterial activities in vitro, under a flow state, as well as in vivo. The results verified that the TPU/QTA blend with a QTA content of 4% is effective, durable, stable, and non-toxic, and exhibits significant potential as a raw material for catheters.Lattice defect plays a significant role in the optical properties of elastic mechanoluminescent materials, which could be modulated by cationic non-equivalent replacement. Here, a series of novel mechanoluminescent phosphors Li2-xMgGeO4xMn2+ (0 ≤ x ≤ 0.025) were synthesized via a high-temperature solid-state reaction method in an ambient atmosphere. The defect type and its relationship with optical perfomance were clarified via X-ray photoelectron spectroscopy, electron spin resonance, and thermoluminescent spectroscopy. Along with the introduction of Mn ions, the trap levels of oxygen vacancies become shallow, which are beneficial to produce long afterglow and mechanoluminescence. This study offers a feasible approach for developing new functional materials via defect control in self-reduction systems.Molecular oxygen as a green, non-toxic and inexpensive oxidant has displayed lots of advantages compared with other oxidants towards more selective, sustainable, and environmentally benign organic transformations. The oxygenation reactions which employ molecular oxygen or ambient air as both an oxidant and an oxygen source provide an efficient route to the synthesis of oxygen-containing compounds, and have been demonstrated in practical applications such as pharmaceutical synthesis and late-stage functionalization of complex molecules. This review article introduces the recent advances of radical processes in molecular oxygen-mediated oxygenation reactions. Reaction scopes, limitations and mechanisms are discussed based on reaction types and catalytic systems. Conclusions and perspectives are also given in the end.Through a combination of density functional theory calculations and cluster-expansion formalism, the effect of the configuration of the transition metal atoms and spin-orbit coupling on the thermodynamic stability and electronic bandgap of monolayer 2H-Mo1-xWxS2 is investigated. Our investigation reveals that, in spite of exhibiting a weak ordering tendency of Mo and W atoms at 0 K, monolayer 2H-Mo1-xWxS2 is thermodynamically stable as a single-phase random solid solution across the entire composition range at temperatures higher than 45 K. The spin-orbit coupling effect, induced mainly by W atoms, is found to have a minimal impact on the mixing thermodynamics of Mo and W atoms in monolayer 2H-Mo1-xWxS2; however, it significantly induces change in the electronic bandgap of the monolayer solid solution. We find that the band-gap energies of ordered and disordered solid solutions of monolayer 2H-Mo1-xWxS2 do not follow Vegard's law. In addition, the degree of the SOC-induced change in band-gap energy of monolayer 2H-Mo1-xWxS2 solid solutions not only depends on the Mo and W contents, but for a given alloy composition it is also affected by the configuration of the Mo and W atoms. This poses a challenge of fine-tuning the bandgap of monolayer 2H-Mo1-xWxS2 in practice just by varying the contents of Mo and W.Imidazolium and pyridinium-based ionic liquids (ILs) have attracted increasing attention in the extraction of aromatic VOCs. However, fundamental studies on the mechanism of capturing aromatic VOCs have been less reported. In this work, the interactions between two ILs, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (EMIMTFSI) and N-butylpyridinium bis(trifluoromethylsulfonyl)imide (BpyTFSI), and toluene (C6H5CH3), were investigated by using attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR), excess infrared spectroscopy, hydrogen nuclear magnetic resonance (1H NMR) spectroscopy and quantum chemical calculations. Some conclusions were obtained as follows (1) H atoms on EMIMTFSI/BpyTFSI were located above or below the benzene ring and were mainly formed as C2-Hπ bonds and C2,6-Hπ bonds with C6H5CH3, respectively. C-Hπ bonds played a significant role in capturing aromatic compounds. (2) Upon adding C6H5CH3, the two IL-C6H5CH3 system's interaction strength was as follows EMIMTFSI-C6H5CH3 > BpyTFSI-C6H5CH3.
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