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The longevity and reusability of N95‐grade filtering facepiece respirators (N95 FFRs) are limited by consecutive donning and disinfection treatments. Herein, we developed stable N97 nanofibrous respirators based on chemically modified surface to enable remarkable filtration characteristics via polarity driven interaction. This was achieved by a thin‐film coated polyacrylonitrile nanofibrous membrane (TFPNM), giving an overall long‐lasting filtration performance with high quality factor at 0.42 Pa−1 (filtration efficiency: over 97 %; pressure drop: around 10 Pa), which is higher than that of the commercial N95 FFRs (0.10–0.41 Pa−1) tested with a flow rate of 5 L min−1 and the 0.26 μm NaCl aerosol. A coxsackie B4 virus filtration test demonstrated that TFPNM also had strong virus capture capacity of 97.67 %. As compared with N95 FFRs, the TFPNM was more resistant to a wider variety of disinfection protocols, and the overall filtration characteristics remained N97 standard., A polarity‐driven air filtration approach is achieved based on the thin‐film coated PAN nanofibrous membranes (TFPNMs), possessing a superior filtration efficiency reaching to N97 grade with outstanding longevity and reusability compared with the N95 FFRs. The TFPNMs can be reused upon various disinfection treatments, giving great potential for personal health care.

Charophyte assemblages from the Cretaceous/Paleogene (K/Pg) boundary transition in the JZK-2 borehole of the Jiaolai Basin (eastern China) were studied. The charophyte flora includes Tolypella grambastii, Peckichara praecursoria, Microchara cristata, Microchara prolixa, Chara changzhouensis, Lamprothamnium ellipticum, Nodosochara (Turbochara) specialis, Lychnothamnus aff. vectensis, and Lychnothamnus lanpingensis n. comb. The discovery of the ostracod species Porpocypris sphaeroidalis Guan in the upper section of the JZK-2 borehole strongly indicates the arrival of the Paleocene. Three floras of the latest Cretaceous to the early Paleocene were compared among the Jiaolai, Pingyi, and Songliao basins. The Pingyi Basin is special because it is the only carbonate palaeolake that occurred throughout the K/Pg transition in China. It is characterized by the appearance of the Cretaceous brackish water element, Feistiella anluensis (Wang), and is dominated by the Paleocene species, Peckichara varians Grambast. The Songliao and Jiaolai floras grow in clastic lakes; the Jiaolai Basin is thought to correspond to an altitude lake, which was formed in the coastal mountains with high palaeoelevation (≥ 2.0 km), while the Songliao Basin is presumed to have been formed in a low elevation site according to previous studies. This difference in altitude explains why the Songliao Basin is more species-rich than the Jiaolai Basin.

This study analyzed and compared the potential role of fatty acid metabolism pathways in three subtypes of renal cell carcinoma. Biological pathways that were abnormally up- and downregulated were identified through gene set variation analysis in the subtypes. Abnormal downregulation of the fatty acid metabolism pathway occurred in all three renal cell carcinoma subtypes. Alteration of the fatty acid metabolism pathway was vital in the development of pan-renal cell carcinoma. Bioinformatics methods were used to obtain a panoramic view of copy number variation, single-nucleotide variation, mRNA expression, and the survival landscape of fatty acid metabolism pathway-related genes in pan-renal cell carcinoma. Most importantly, we used genes related to the fatty acid metabolism pathway to establish a prognostic-related risk model in the three subtypes of renal cell carcinoma. The data will be valuable for future clinical treatment and scientific research.

Cholesterol is an important lipid in the body of mammals and an essential component of membrane structures. Cholesterol homeostasis is critical for the maintenance of cellular and body activities, and is mainly regulated by the balance of cholesterol biosynthesis and the exogenous cholesterol uptake. Aberrantly regulated cholesterol metabolism promotes tumor cell proliferation，survival，invasion and metastasis，and their adaptability into the tumor microenvironment. Therefore，targeting cholesterol biosynthesis and reduction of plasma cholesterol levels and cholesterol esterification will provide new strategies for cancer treatment. This review summarizes the current understanding in cholesterol homeostasis regulation and its function in the occurence and development of cancer，as well as current metabolism-targeted cancer treatments.

There has been great interest in the fabrication of solid surfaces with desirable under-liquid wettability, and especially under-liquid dual-lyophobicity, because of their potential for widespread use. However, there remains the lack of a general principle to modulate the under-liquid wettability in terms of surface energy (SE). Herein, we found that the relative proportion between the polar and dispersive components in SE that reflects the competition between hydrophilicity and lipophilicity governs the under-liquid wettability of the solid surface. For the first time, we introduced hydrophilic–lipophilic balance (HLB) calculated solely based on the amount and type of hydrophilic and lipophilic fragments in surface molecules to rapidly predict the under-liquid wettability of a solid surface, thereby guiding the fabrication of solid surfaces with desirable under-liquid wettability. Accordingly, the under-liquid dual superlyophobic surfaces in a nonpolar oil–water-solid system were fabricated by grafting molecules with appropriate HLB values (e.g., 6.341–7.673 in a cyclohexane–water–solid system) onto porous nanofibrous membranes, which were able to achieve continuous separation of oil–water mixtures. This work provides reasonable guidance for the fabrication of solid surfaces with targeted under-liquid wettability, which may lead to advanced applications in oil–water–solid systems., Hydrophilic–lipophilic balance calculated based on the component of surface molecules is introduced to predict the under-liquid wettability of solid surfaces, thereby guiding the fabrication of solid surface with desirable under-liquid wettabilities.

Background Zinc (Zn) is an important nutrient for human beings, which is also an essential micronutrient for crop growth. This study investigated the role of Zn in coordinating the mineral elements absorption in modern wheat (Triticum aestivum L.) cultivars with a new developed method. Results A method was developed, and showed a robust capability to simultaneously investigate seven mineral elements uptake in wheat seedling. With this method, we found low Zn supply (< 1 μM) promoted the absorption of potassium (K), magnesium (Mg) and manganese (Mn) in wheat seedling, while high Zn supply (> 1 μM) significantly inhibited the absorption of these elements. Cultivars with the green genes (Rht-B1b and Rht-D1b) showed a higher uptake capability on ammonium (NH4+), and cultivars with Rht-B1b allele can uptake more phosphors (P), K, calcium (Ca), Mn and Zn compared to cultivars with Rht-D1b. Further analysis indicated higher uptake capability of NH4+ in cultivars contained Rhts was independent of Zn. Conclusion The key role of Zn in coordinating for mineral elements absorption was identified in modern wheat cultivars, providing the reference for Zn application in wheat. Meanwhile, this study provides a robust method for quantifying the absorption of mineral elements, which may be adopted into the broadly investigations on the coordinated nutrients absorption of plant.

Printable mesoscopic perovskite solar cells are usually fabricated by drop-casting perovskite precursor solution on a screen-printed mesoporous TiO2/ZrO2/carbon triple-layer followed by thermal annealing. They have attracted much attention due to their simple fabrication process and remarkable stability. However, challenges lie in how to achieve complete pore fillings of perovskites in the meso-pores and to obtain high-quality perovskite crystals. Here, we report an in situ crystal transfer (ICT) process based on gas-solid interaction to deposit perovskite CH3NH3PbI3 absorber in the scaffold. CH3NH3PbI3 single crystals are first transformed into a liquid phase via exposure to methylamine gas flow. After complete infiltration into the nano-structured scaffolds, the liquid phase is converted back to the solid phase with reduction of methylamine gas partial pressure, maintaining the high-quality of CH3NH3PbI3 single crystals. Compared with the conventional drop-casting method, the ICT method effectively leads to interconnected morphology and prolongs the charge-carrier lifetime (from ∼37.52 ns to ∼110.85 ns) of the perovskite absorber in the scaffold. As a result, the devices can deliver a power conversion efficiency of 15.89%, which is attributed to the suppressed charge recombination and correspondingly enhanced open-circuit voltage of 0.98 V.

Controlling the crystal orientation of organic–inorganic hybrid perovskites is crucial in tuning the optoelectronic properties and improving the device performance. Herein, the favored crystal orientation of MAPbI3 perovskite is finely tuned by additive engineering for carbon based printable mesoscopic perovskite solar cells (PSCs). By introducing biguanide hydrochloride (BH), the out-of-plane crystal orientation of perovskite film is notably enhanced along the (001) and (002) crystal plane, which affects charge transportation and collection properties of perovskite films. More importantly, the BH added perovskite has the most appropriate energy level. Under the optimized condition, the hole-conductor free printable mesoscopic PSCs deliver a champion power conversion efficiency of 16.35% by introducing a 30% molar ratio of BH. The unsealed device retains 98% of its original PCE after 2500 h storage in air with humidity of 50 ± 5%. The results provide a novel and effective approach toward fabricating highly efficient and stable PSCs for future commercialization.

Summary Although water-in-salt (WiS) electrolyte has triggered a relatively clean Li2O2 redox reaction, the practical stored energy density and energy efficiency of current Li-O2 battery systems remains incomparable with that of the state-of-the-art Li-ion batteries. Besides, the awkward position of the cathodic stability limit of WiS further squeezes the practical output voltage. Herein, we make a breakthrough in this “output-voltage limitation” by adopting hybrid-electrolyte design into a dual-compartment cell architecture, in which the WiS catholyte and ionic liquid anolyte are segregated by a flexible under-liquid dual superlyophobic polymer membrane. Moreover, the boosted capacity and restrained overpotential are systematically ascribed to a solution-based Li2O2 accumulation-hydrolysis mechanism. Controlling with 3.6 V charging cut-off voltage, Li-O2 cell performs high areametric capacity (2.5 mAh/cm2), remarkable energy efficiency (∼0.47 V overpotential), and impressive long-term reversibility (Coulombic efficiency, 99.5%) over 250 cycles, which makes the Li-O2 battery technology really competitive.

In China, safety policies interfere with the occurrence of work accidents in the form of guidance and restrictions. In this study, the impact of types of safety policies on work accident prevention is quantitatively analyzed. Based on a statistical analysis of China’s safety policies and work-related accidents from 2000 to 2020, the following four policy indexes that reflect the impact of safety policies are identified: the stringency level of the policy, the scope, its technical content, and its industrial target. A vector autoregressive model (VAR) is used, and a dynamic analysis of the model is conducted with an impulse response function. The model’s degree of fit is 92.9%, the number of deaths and the number of safety policies are linearly related, and the relative error between the fitted values and the real values is approximately 5%. The negative correlation between the death rate per 100 million yuan and the stringency level, scope, technical content, and industrial targets of safety policies is first weak, then strengthened, and then weakens again over time. This study finds that the importance of safety policy indicators is different, especially, the strict safety policy has a long-term negative impact on mortality. For developing countries such as China, where the safety policy system is not yet perfect, increasing the number and implementation of safety policies can significantly improve the situation of production safety.

The crystallization mechanism of the perovskite crystals inside the mesopores of printable mesoscopic perovskite solar cells is demonstrated by in situ grazing-incidence X-ray diffraction. Ionic liquids can universally tune the crystallization process of different perovksites in the mesopores regradless of the precursor solvents, resulting in enhanced efficiency.

BACKGROUND We investigated levels of the metal elements Ca, Mg, Zn, Fe, and Cu in blood, normal skin (NS), and different types of scar tissue and aimed to elucidate the pathogenesis of hypertrophic scars (HS). MATERIAL AND METHODS Tissue specimens were excised from 3 groups of research participants: scar-free, flat scar (FS), and HS groups. Levels of the study elements were measured in blood, NS, and scar tissues with a spectrophotometer. The levels in plasma or in different types of specimens were compared among subgroups. In the FS and HS groups, levels were compared between the scar tissue and NS of each individual. In addition, element differences in exposed and unexposed areas of NS were investigated in the scar-free group. HS fibroblasts (HFB) were cultured in medium with various reduced levels of metal elements to determine the influence of metal elements on fibroblast growth. RESULTS Levels of trace elements, including Zn, Fe, and Cu, were significantly lower in HS than in FS. The levels of Ca, Zn, Fe, and Cu were markedly lower in HS than in the patients' own NS, while the Cu/Zn ratio was higher. However, no such difference was observed in the FS group. No significant difference in element levels was found in either plasma or NS among the 3 groups. Reduced levels of the elements promoted HFB proliferation within 24 h while an inhibition effect was observed at 72 h. CONCLUSIONS Our findings indicate reduced levels of metal elements in part of the healing microenvironment, suggesting that decreased metal levels may be involved in the pathogenesis of HS.

Surfaces with under-liquid dual superlyophobicity have garnered tremendous interest because of their promising applications, but their unexplored underlying nature restricts the designed construction of such surfaces. Herein, we coated the thin-film composites with different terminal groups over the electrospun polyacrylonitrile nanofibrous membranes, which afforded the membranes excellent stability in organic solvents, as well as modulated under-liquid wetting behaviors. Among them, the representative under-liquid dual superlyophobic 4-cyan-Ph-terminated membrane could realize highly efficient separation of all types of oil/water mixtures and even emulsions. Moreover, we found that the under-liquid wetting behaviors could be classified in terms of the intrinsic water contact angle (θw). By comparing the total interfacial energy, we proved that the under-liquid dual lyophobic surfaces were thermodynamically metastable. On this basis, we could predict the θw of rough surfaces with the under-liquid dual lyophobicity in a given oil–water–solid system (e.g., 47.3–89.1° in cyclohexane–water–solid system, R = 2). This work provides a design principle for the fabrication of under-liquid dual superlyophobic surfaces, which will open potential applications in diverse fields in terms of such smart surfaces.

Uniform and hydrophilic carbon quantum dots (C-QDs) were synthesized by calcination and NaOH treatment from an organo-templated zeolite precursor. The color of luminescence was determined by the concentration of C-QDs. These variable-color C-QDs were applied for the first time in the imaging of Caenorhabditis elegans (C. elegans) as a model organism. The effects of C-QDs and possible behavioral changes in C. elegans were evaluated under treatment conditions. We could clearly observe distribution of C-QDs in C. elegans from the fluorescence images. Furthermore, we observed significant and detectable fluorescence quenching of the C-QDs by free radicals in C. elegans. Our work affirms that C-QDs can be developed as imaging probes and as potential fluorescent quantitative probes for detecting free radicals.

Convallatoxin is widely used as a cardiac glycoside in acute and chronic congestive heart-failure and paroxysmal tachycardia, with many effects and underlying protective mechanisms on inflammation and cellular proliferation. However, convallatoxin has not been investigated in its antioxidant effects and lifespan extension in Caenorhabditis elegans. In this study, we found that convallatoxin (20 μM) could significantly prolong the lifespan of wild-type C. elegans up to 16.3% through daf-16, but not sir-2.1 signalling and increased thermotolerance and resistance to paraquat-induced oxidative stress. Convallatoxin also improved pharyngeal pumping, locomotion, reduced lipofuscin accumulation and reactive oxygen species levels in C. elegans, which were attributed to hormesis, free radical-scavenging effects in vivo, and up-regulation of stress resistance-related proteins, such as SOD-3 and HSP-16.1. Furthermore, aging-associated genes daf-16, sod-3, and ctl-2 also appeared to contribute to the stress-resistance effect of convallatoxin. In summary, this study demonstrates that convallatoxin can protect against heat and oxidative stress and extend the lifespan of C. elegans, pointing it as a potential novel drug for retarding the aging process in humans.

Solution-processable organic-inorganic perovskite solar cells have attracted much attention in the past few years. Energy level alignment is of great importance for improving the performance of perovskite solar cells because it strongly influences charge separation and recombination. In this report, we introduce three amide additives, namely, formamide, acetamide, and urea, into the MAPbI3 perovskite by mixing them directly in perovskite precursor solutions. The Fermi level of MAPbI3 shifts from -4.36 eV to -4.63, -4.65, and -4.61 eV, respectively, upon addition of these additives. The charge transfer between perovskite and mp-TiO2 is found to be promoted as determined via TRPL spectra, and recombination in the perovskite is suppressed. As a result, the built-in electric field (Vbi) of the printable, hole-conductor-free mesoscopic perovskite solar cells based on these perovskites with amide additives is enhanced and a peak power conversion efficiency of 15.57% is obtained.

Fatty acids (FAs) play a crucial role in the development of clear cell renal cell carcinoma (ccRCC), FAs function requires the participation of fatty-acid-binding protein (FABP). Current studies have shown that different members of the FABP's family play different roles in the tumorigenesis of ccRCC. Therefore, the systematic analysis of FABPs will be of great significance. However, the diverse expression patterns and prognostic values of nine FABPs have yet to be elucidated. In this study, through multiple analysis and verification of multiple databases, such as ONCOMINE, The Human Protein Atlas, UALCAN, Gene Expression Profiling Interactive Analysis, and cBioPortal, we found that the expression of FABP1 was significantly downregulated and the expression of FABP5/6/7 was significantly upregulated in ccRCC compared with renal tissues, and the patients with high messenger RNA (mRNA) levels of the FABP5/6/7 or low mRNA levels of FABP1 were predicted to have a lower overall survival or disease-free survival. Further analysis by the protein-protein interaction (PPI), Gene Ontology pathway, and Kyoto Encyclopedia of Genes and Genomes pathway showed that FABPs were mainly involved in the peroxisome proliferator-activated receptor (PPAR) pathway. In coexpression analysis, we found that FABP1/5/6/7 was coexpressed with transforming growth factor-β1 (TGF-β1), PPARA, and LPL. This study implied that FABP1/5/6/7 could act as an important tumor biomarker of ccRCC; the role of FABPs may be related to PPAR or TGF-β pathway.

This study investigated the optimal conditions for preparing desulfurizing stalk carbon, using corn stalk as a raw material and zinc chloride as an activator. The structure of stalk carbon was characterized using thermogravimetry (TG), fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS) and Brunauer – Emmelt – Teller (BET). Results found no significant difference in stalk carbon desulfurization properties when using stalk skin, core, or a skin-core mixture as raw material. The desulfurization performance of stalk carbon prepared using a skin-core mixture, was the most effective when the material : liquid ratio was 1:2; activation temperature was 350 °C; and activation time was 70 min. The corresponding H2S adsorption time was 74 min. The large specific surface area of 562.28 m2/g and abundant pore-volume of 0.3851 ml/g was found in the desulfurization stalk carbon prepared using these conditions. The increase in micropores and the abundant oxygen-containing functional surface groups were conducive to H2S adsorption. The desulfurization products were found to be mainly elemental S and sulfite.

Oncogenic protein farnesyltransferase (FTase) is a key enzyme responsible for the lipid modification of a large and important number of proteins including Ras, which has been recognized as a druggable target of diverse cancers. Here, we report a systematic scaffold-based analysis to investigate the affinity, selectivity and cross-reactivity of nonpeptide inhibitors across ontology-enriched, disease-associated FTase mutants, by integrating multiple similarity matching, binding affinity scoring and enzyme inhibition assay. It is revealed that nonpeptide inhibitors are generally insensitive to FTase mutations; many of them cannot definitely select for wild-type target over mutant enzymes. Therefore, off-target is observed as a common phenomenon for the untargeted consequence of targeted therapies with FTase inhibition. This is not unexpected if considering that the enzyme active site is highly conserved in composition, configuration and function. The off-target, on the one hand, causes nonpeptide inhibitors with adverse drug reactions and, on the other hand, makes the inhibitors as promising candidates for the new use of old drugs. To practice the latter, a number of unexpected mutant-inhibitor interactions involved in cancer signaling pathways are uncovered in the created profile, from which several nonpeptide inhibitors are identified as insensitive to a drug-resistant mutation. Structural analysis suggests that the inhibitor ligands can bind to the mutant active site in a similar manner with wild-type target, although their nonbonded interactions appear to be impaired moderately upon the mutation.

Bispecific antibodies with binding specificities for two different antigens have prompted a lot of interest into their development and application. Currently, more than ten bispecific antibodies have been clinically validated for the treatment of various diseases, including cancers and inflammatory diseases. Intensive studies in antibody engineering drive the generation of different bispecific antibody formats that differ in size and shape. However, the most prominent formats, such as IgG-single-chain (sc) Fv or dual-variable domain (DVD) IgG, deviating from the natural IgG structure, may lead to manufacturing difficulties or increase the potential risk of immunogenicity. Thus, the recent efforts focus on the development of bispecific antibodies by Fc heterodimerization that maintain the native structure of the antibody IgG molecule. This review summarizes the various techniques and methods to generate bispecific antibody molecules with Fc heterodimerization, and discusses perspectives of their application.

Keloids exhibit metabolic reprogramming including enhanced glycolysis and attenuated oxidative phosphorylation. Hypoxia induces a series of protective responses in mammalian cells. However, the metabolic phenotype of keloid fibroblasts under hypoxic conditions remains to be elucidated. The present study aimed to investigate glycolytic activity, mitochondrial function and morphology, and the HIF1α and PI3K/AKT signaling pathways in keloid fibroblasts (KFB) under hypoxic conditions. Our results showed that hypoxia promoted proliferation, migration invasion and collagen synthesis and inhibited apoptosis in KFB. The mRNA levels, protein expressions and enzyme activities of glycolytic enzymes in KFB were higher than those in normal skin fibroblasts (NFB) under normoxia. Moreover, hypoxia remarkedly upregulated glycolysis in KFB. Decreased activities of mitochondrial complexes and abnormal mitochondria were detected in KFB under normoxic conditions and the damage was aggravated by hypoxia. An intracellular metabolic profile assay suggested hypoxia increased glycolytic parameters except glycolytic reserve but inhibited the key parameters of mitochondrial function apart from H+ leak. Protein levels of HIF1α and phosphorylation levels of the PI3K/AKT signaling pathway were upregulated in the context of 3% oxygen. Enhanced total reactive oxygen species (ROS), mitochondrial ROS (mitoROS) and antioxidant activities of KFB were observed in response to hypoxia. Additionally, autophagy was induced by hypoxia. Our data collectively demonstrated potentiated glycolysis and attenuated mitochondrial function under hypoxia, indicating that altered glucose metabolism regulated by hypoxia could be a therapeutic target for keloids.

We report on the synthesis, crystal structures, optoelectronic properties and solar cell device studies of three novel organic-inorganic iodobismuthates -- [C3H4NS]3[Bi2I9] ([TH]3[Bi2I9]), [C3H4N2]3[Bi2I9] ([IM]3[Bi2I9]) and [C3H5N2S][BiI4] ([AT][BiI4]) as lead-free light harvesters. [TH]3[Bi2I9] and [IM]3[Bi2I9] show zero-dimensional structures, whereas a one-dimensional edge-sharing chain structure of BiI6-octahedra was observed in [AT][BiI4], with interchain short I…I contacts also giving rise to the possibility of three-dimensional charge transport ability. Accordingly, greater energy dispersion in the band structure of [AT][BiI4] can be observed, and less contribution from the organic moities at the conduction band minimum in [AT][BiI4] than [TH]3[Bi2I9] have been confirmed by density functional theory calculations. Moreover, bandgap values are redshiffted from 2.08 eV for [TH]3[Bi2I9] and 2.00 eV for [IM]3[Bi2I9] to 1.78 eV for [AT][BiI4], determined by UV-Vis reflectance spectroscopy. Power conversion efficiency of 0.47% has been achieved by using ([AT][BiI4]) as the light absorber in a hole-conductor-free, fully printable solar cell, with relatively good reproducibility. We also note the observation of a capacitance effect for the first time in a photovoltaic device with bismuth-based solar absorber, which may be related to the mesoporous carbon counter-electrode.

Metastatic Renal cell carcinoma (RCC) remains a difficult oncologic challenge. Salinomycin is a monocarboxylic polyether antibiotic, which has been proved to possess anti-tumor activities in multiple types of cancer cells. However, its effects on RCC cells remains unclear. In our study, salinomycin could inhibit the proliferation and viability of RCC cell lines 786-O and ACHN. The TUNEL assay revealed that treatment with salinomycin induced DNA breaking in RCC cells. Consistently, Western blotting showed up-regulation of pro-apoptotic biomarkers (cleaved caspase3/9 and cleaved PARP1) and down-regulation of anti-apoptotic biomarker (survivin) in RCC cells after salinomycin treatment, suggesting that salinomycin could induce RCC cell apoptosis. salinomycin treatment also suppressed the sphere formation ability of RCC cells and decreased the expressions of CD105, ALDH1 and CD44, biomarkers for reflecting the stemness of RCC cells. salinomycin treatment effectively down-regulated SMO and Gli1, two key proteins in Hedghog signaling pathway, in a dose-dependent manner. Moreover, salinomycin could suppress the invasion and migration of RCC cells in the presence of TGF-β1, as observed in wound-healing and Transwell assays. salinomycin treatment attenuated TGF-β1-induced epithelial-mesenchymal transition (EMT), as evidenced by its ability to increase E-cadherin expression and decrease N-cadherin, Snail and MMP-2 expressions in RCC cells. Finally, salinomycin inhibited the tumorigenecity of RCC cells in vivo. Our study provides the evidence that salinomycin possess multiple anti-tumor activities against RCC, as it, in particular, suppressed the cancer stem cell properties and attenuated TGF-β-induced EMT. Therefore, it may serve as a potentially therapeutic candidate for metastatic RCC and improve the prognosis of RCC patients.

A bifunctional conjugated organic molecule 4-(aminomethyl) benzoic acid hydroiodide (AB) is designed and employed as an organic cation in organic-inorganic halide perovskite materials. Compared with the monofunctional cation benzylamine hydroiodide (BA) and the nonconjugated bifunctional organic molecule 5-ammonium valeric acid, devices based on AB-MAPbI3 show a good stability and a superior power conversion efficiency of 15.6% with a short-circuit current of 23.4 mA cm-2 , an open-circuit voltage of 0.94 V, and a fill factor of 0.71. The bifunctional conjugated cation not only benefits the growth of perovskite crystals in the mesoporous network, but also facilitates the charge transport. This investigation helps explore new approaches to rational design of novel organic cations for perovskite materials.

Renal cell carcinoma (RCC) is a common urinary malignancy that is resistant to chemotherapy and radiotherapy. Osthole, a monomer compound extracted from a traditional Chinese herb, has potent anti-tumor effects on various types of cancer cells. However, the therapeutic effects of osthole on RCC remain unclear. In our study, osthole could suppress the proliferation and colony formation of two RCC cell lines, ACHN and 786-O cells, in a dose-dependent manner. Treatment with osthole resulted in a significant, dose-dependent increase in the expression of pro-apoptotic proteins (cleaved caspase-3 and Bax) and decreased expression of anti-apoptotic proteins (Bcl-2 and survivin), which were consistent with evidence of apoptotic nuclear morphology revealed by DAPI staining. Pre-treatment with osthole attenuated the migratory and invasive abilities of RCC cells in a dose-dependent manner, as evidenced by a reduction in migrating cells in a Transwell assay and a decreased wound closure ratio in a scratch assay as compared with the control. Additionally, osthole down-regulated the expression of migration/invasion-related proteins matrix metalloproteinase (MMP)-2 and MMP-9. Osthole significantly up-regulated epithelial biomarkers (E-cadherin and beta-catenin) and down-regulated mesenchymal biomarkers (N-cadherin and vimentin). Furthermore, our results suggest that osthole suppressed the expression of epithelial-mesenchymal transition transcriptional factors Smad-3, Snail-1, and Twist-1. Taken together, the results of this study suggest that osthole might be a potential novel herbal agent against RCC.

To support proliferation, tumour cells often undergo a metabolic switch to aerobic glycolysis, and a large amount of fatty acids (FAs) is produced to provide conditions for the formation of cell membrane structures. This phenomenon is particularly prominent in clear cell renal cell carcinoma (ccRCC). FAs need to be combined with fatty acid binding proteins (FABPs) for transport. Fatty Acid Binding Protein 5 (FABP5) is an important chaperone protein of FAs that is upregulated in a variety of tumours. However, to date, the potential regulatory role and molecular mechanisms of FABP5 in the development and progression of cancers, including ccRCC, remain unknown. Herein, we demonstrate that FABP5 is upregulated in human ccRCC tissues and cell lines and is positively correlated with the progression of ccRCC. FABP5 deletion inhibits the proliferation, colony-forming ability and migration of ccRCC cells, suggesting that FABP5 may be a cancer-promoting protein in ccRCC. Mechanistically, FABP5 deletion significantly downregulated MMP9 and the transcription factor Snail1 in addition to upregulating E-cadherin and downregulating N-cadherin and Vimentin to inhibit epithelial-mesenchymal transition (EMT) in the ACHN cell line. In summary, our data suggest that FABP5 may be a potential therapeutic target in ccRCC.

Proton Exchange Membranes (PEMs) can be composed of cross-linked and sulfonated poly (1, 3-cyclohexadiene) (xsPCHD) with varying local acid environment. In each case the acid group is sulfonic acid, but the presence of a hydroxyl group bound to an adjacent carbon on the 6-carbon ring changes the local acid environment. Three polymers are examined, in which none, some or all of the SO3H groups are adjacent to OH groups. An integrated multiscale modeling approach has been implemented to study the structure and water and charge transport in the three xsPCHD membranes in a hydrated state with λ = 10H2O/SO3H. Molecular Dynamics (MD) simulations were first conducted to study the membrane structures. The pair correlation functions (PCFs) that represent water–water, water–H3O+ ion, H3O+–H3O+ ions, polymer–water, and polymer–H3O+ distributions were obtained and compared for the three membranes. Taken as a whole, the PCFs indicated that the presence of the hydroxyl group served to bind the hydronium ion more strongly to the locality around the sulfonic acid group. The PCFs also indicated that the presence of hydroxyl groups changed the morphology of the hydrated membrane resulting in larger, better connected water clusters. Water and charge transport was studied using MD simulation, confined random walk (CRW) theory and percolation theory. The CRW theory was totally consistent with Molecular Dynamics (MD) simulations and confirmed the presence of larger clusters in membranes with hydroxyl groups. Percolation theory was used to characterize connectivity in the aqueous domain and confirmed better connectivity of clusters. Adding hydroxyl groups slowed diffusion of hydronium ions within a cluster due to tighter binding in the interface and enhanced diffusion between clusters due to better connectivity. The net effect on charge mobility, taking these positive and negative contributions together, was nominal.

The nanoscale structure and water and charge diffusion in cross-linked and sulfonated poly(1,3-cyclohexadiene) (xsPCHD) hydrated membranes based on xsPCHD homopolymer, xsPCHD/polyethylene glycol (x...

Lei Zheng,1,2 Hui Jiang,3 Zhi-Wei Zhang,1 Ke-Nan Wang,1 Qi-Fei Wang,1 Quan-Lin Li,1 Tao Jiang1 1Department of Urology, First Affiliated Hospital of Dalian Medical University, 2Department of Urology, The Fifth People’s Hospital of Dalian, Dalian, 3Department of Urology, Third Affiliated Hospital of Beijing University, Beijing, People’s Republicof China Background: Growing evidence suggests that arsenic trioxide (As2O3) induces apoptosis and inhibits tumor cell growth in prostate cancer (PCa), although details of the mechanism are still inconclusive. We investigated the antitumor effect ofAs2O3in human PCa cell lines LNCaP and PC3 and the underlying mechanisms by focusing on the Wnt signaling pathway.Methods: The effect ofAs2O3on the viability and apoptosis of PCa cells was investigated by cholecystokinin-8 and flow cytometry. The expression of the related proteins in the Wnt signaling pathway and the downstream target genes of the Wnt signaling pathway was examined by Western blot and quantitative real-time PCR assay. The methylation status of the SFRP1 gene promoter was assessed by bisulfite sequencing.Results:As2O3inhibited the viability of PCa cells and induced apoptosis of PCa cells in a dose-dependent manner. The protein level of phospho-glycogen synthase kinase-3β was upregulated, whereas the protein level of β-catenin and the mRNA levels of c-MYC, MMP-7, and COX-2 were downregulated in a dose-dependent manner in PCa cells treated withAs2O3. In addition,As2O3pregulated the protein and mRNA levels of secreted frizzled related protein-1, and increased the demethylation of the SFRP1 gene promoter.Conclusion: Our results suggest thatAs2O3may inhibit cell viability and induce apoptosis through reactivating the Wnt inhibitor secreted frizzled related protein-1 in both androgen-dependent and -independent human PCa. Keywords: arsenic trioxide, CpG island methylation, demethylation, prostate cancer, Wnt signaling pathway, SFRP1

Atomistic and coarse-grained (CG) molecular dynamics (MD) simulations were conducted for a cross-linked and sulfonated poly(1,3-cyclohexadiene) (xsPCHD) hydrated membrane with λ(H2O/HSO3) = 10 and ...

Atomistic and coarse-grained (CG) models of cross-linked sulfonated Poly (1, 3-cyclohexadiene) (xsPCHD) were developed and implemented in Molecular Dynamics (MD) simulations of PCHD chains with different architectures. In the atomistic model, PCHD chains are cross linked by a sulfur–sulfur bond. Sulfonic acid groups are evenly distributed along the chain. The architecture is specifically aimed for application as a proton exchange membrane used in fuel cells. An atomistic force field for this architecture was tested and applied in the atomistic MD simulation of xsPCHD for the first time. The atomistic simulations generate the density and cross-linker separation distribution. To further study the structural properties of longer chain systems, a CG model was proposed. The bonded structural probability distribution functions (PDFs) and non-bonded pair correlation function (PCF) of the CG beads were obtained from the atomistic simulation results. The bonded CG potentials are obtained by simple inversion of the corresponding PDFs. The CG non-bonded potential is parameterized to the PCF using the Iterative Boltzmann Inversion (IBI) method. The CGMD simulations of xsPCHD chains using potentials from above method satisfactorily reproduce the structural properties from atomistic MD simulation of the same system. The transferability of the CG potentials has been further tested through CGMD simulation of xsPCHD homopolymer with different architectures.

A coarse-grained (CG) model of Polyethylene Terephthalate (PET) was developed and implemented in CG Molecular Dynamics (MD) simulations of PET chains with degree of polymerization up to 50. The CG potential is parameterized to structural distribution functions obtained from atomistic simulations [Wang et al. J. Phys. Chem. B 2010, 114, 786] using an inversion procedure based on the Ornstein-Zernike equation with the Percus Yevick approximation (OZPY) [Wang et al. Phys. Rev. E 2010, 81, 061204]. The CGMD simulation of PET chains satisfactorily reproduces the structural and dynamic properties from atomistic MD simulation of the same systems. We report the average chain end-to-end distance and radius of gyration, relaxation time, self-diffusivity and zero-shear-rate-viscosity’s dependence on degree of polymerization. For the longest chains, we find the scaling exponents of 0.51, 0.50 and -2.00 for average chain end-to-end distance, radius of gyration and self-diffusivity respectively. The exponents are very close to the theoretical values of entangled polymer melt systems (0.50, 0.50 and -2.0). The study of entanglement in the longer chains shows that the tube diameter, number of monomers between entanglement points and interentanglement strand length are in close agreement with the reported values for an entangled PET melt.

High-density polyethylene (HDPE)/(ethylene-vinyl alcohol) (EVOH) copolymer alloys were prepared through reactive extrusion method with high-density polyethylene-graft-maleic anhydride (HDPE-g-MAH) as a compatibilizer to improve the compatibility of the blending system. The results of the morphologies and properties of HDPE/EVOH blends show that the size of dispersed EVOH phase in HDPE/EVOH/HDPE-g-MAH blends is greatly diminished, the crystallization of EVOH is retarded and the impact strength of the blends is improved, which mean that specific interactions could be existed between the functional groups of the EVOH and HDPE-g-MAH. Rheological experiments and FTIR spectra reveal that network structures are formed in the blends when the content of compatibilizer is >20%. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci 2007

A coarse-grained (CG) model of polyethylene glycol (PEG) was developed and implemented in CG molecular dynamics (MD) simulations of PEG chains with degree of polymerization (DP) 20 and 40. In the model, two repeat units of PEG are grouped as one CG bead. Atomistic MD simulation of PEG chains with DP = 20 was first conducted to obtain the bonded structural probability distribution functions (PDFs) and nonbonded pair correlation function (PCF) of the CG beads. The bonded CG potentials are obtained by simple inversion of the corresponding PDFs. The CG nonbonded potential is parameterized to the PCF using both an inversion procedure based on the Ornstein-Zernike equation with the Percus-Yevick approximation (OZPY(-1)) and a combination of OZPY(-1) with the iterative Boltzmann inversion (IBI) method (OZPY(-1)+IBI). As a simple one step method, the OZPY(-1) method possesses an advantage in computational efficiency. Using the potential from OZPY(-1) as an initial guess, the IBI method shows fast convergence. The coarse-grained molecular dynamics (CGMD) simulations of PEG chains with DP = 20 using potentials from both methods satisfactorily reproduce the structural properties from atomistic MD simulation of the same systems. The OZPY(-1)+IBI method yields better agreement than the OZPY(-1) method alone. The new CG model and CG potentials from OZPY(-1)+IBI method was further tested through CGMD simulation of PEG with DP = 40 system. No significant changes are observed in the comparison of PCFs from CGMD simulations of PEG with DP = 20 and 40 systems indicating that the potential is independent of chain length.

Results of molecular dynamics simulations are presented for the pair distribution function between nanoparticles in an explicit solvent as a function of nanoparticle diameter and interaction strength between the nanoparticle and solvent. The effect of including the solvent explicitly is demonstrated by comparing the pair distribution function of nanoparticles to that in an implicit solvent. The nanoparticles are modeled as a uniform distribution of Lennard-Jones particles, while the solvent is represented by standard Lennard-Jones particles. The diameter of the nanoparticle is varied from 10 to 25 times that of the solvent for a range of nanoparticle volume fractions. As the strength of the interactions between nanoparticles and the solvent increases, the solvent layer surrounding the nanoparticle is formed which increases the effective radii of the nanoparticles. The pair distribution functions are inverted using the Ornstein–Zernike integral equation to determine an effective pair potential between the nanoparticles mediated by the introduction of an explicit solvent.

Molecular dynamics simulations of poly(ethylene terephthalate) (PET) oligomers are performed in the isobaric-isothermal (NpT) ensemble at a state point typical of a finishing reactor. The oligomer size ranges from 1 to 10 repeat units. We report thermodynamic properties (density, potential energy, enthalpy, heat capacity, isothermal compressibility, and thermal expansivity), transport properties (self-diffusivity, zero-shear-rate viscosity, thermal conductivity), and structural properties (pair correlation functions, hydrogen bonding network, chain radius of gyration, chain end-to-end distance) as a function of oligomer size. We compare the results with existing molecular-level theories and experimental data. Scaling exponents as a function of degree of polymerization are extracted. The distribution of the end-to-end distance is bimodal for the dimer and gradually shifts to a single peak as the degree of polymerization increases. The scaling exponents for the average chain radius of gyration and end-to-end distance are 0.594 and 0.571, respectively. The values of the heat capacity, isothermal compressibility, and thermal expansivity agree well with the available experimental data, which are of much longer PET chains. The scaling exponents for the self-diffusivity and zero-shear-rate viscosity are, respectively, -2.01 and 0.96, with the latter one being close to the theoretical prediction 1.0 for short-chain polymers.