The lamellar graphene oxide (GO) membranes could offer well-defined 2D nanochannels for fast water permeation and excellent ions rejection. In this work, lamellar GO membranes were constructed by ...stacking GO nanosheets layer-by-layer via molecular simulation. The effect of hydroxyl and epoxy groups as well as their content on the desalination performance in lamellar GO membranes were investigated by molecular dynamics simulation. The transport and separation mechanisms of water molecules and ions passing through the lamellar GO membranes with different functional group were also revealed from thermodynamic and hydrogen bond network. It is found that water flux in GO membranes would be influenced by the order of water molecules and the hydrogen network formed between functional groups and water molecules. GOOH membranes showed a higher Na+ rejection rate than Cl− at high hydroxyl contents.
•The transport mechanism of water molecules through the lamellar GO membranes was discussed by hydrogen bond network and its dynamics•The separation mechanism for ions passing through GO membranes were investigated from thermodynamic and hydration layer around ions•Water flux in GOO membranes was mainly affected by the order of water molecules•Water flux in GOOH membranes was mainly influenced by the hydrogen network
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•DNA nanotubes could serve as a good drug delivery material.•Uncovering the interaction mechanism between DNA nanotubes and drugs.•Improving the aqueous solubility of anti-cancer ...drugs by DNA nanotubes.
In recent years, self-assembled DNA nanotubes have emerged as a type of nano-biomaterials with great potential for biomedical applications. To develop universal nanocarriers for smart and targeted drug delivery from DNA nanotubes, the understanding of interaction mechanism between DNA nanotubes and drugs is essential. In this study, the interactions between anti-cancer drugs and DNA nanotubes were investigated via molecular dynamics simulation. Our simulation results demonstrated that the DNA nanotubes could serve as a good drug delivery material by absorption of anti-cancer drugs with π-π interactions. At high concentration of anti-cancer drugs, most of the drugs could be absorbed by DNA nanotubes. Therefore, it could greatly decrease the aggregation of anti-cancer drugs in aqueous solution. In addition, the stability of DNA nanotubes could be improved with the absorption of anti-cancer drugs. These findings greatly enhance the understanding of the interaction mechanism of DNA nanotubes and anti-cancer drugs. Our study suggests that DNA nanotubes are promising delivery vehicles by strong absorption of anti-cancer drugs.
The Changjiang nutrient inputs serve as an important nutrient source for Chinese coastal waters. Its nutrient flux into the estuary has increased significantly over recent several decades, which may ...affect regional primary production and the sulfur cycle. Using a well-validated three-dimensional biophysical and geochemical model, we quantified the response of dimethylsulfide (DMS), a biogenic volatile sulfur that could affect the Earth’s climate, to the intensified Changjiang nutrient inputs. The results showed that the enhancement in the oceanic DMS fluxes (F
DMS
) exceeded 30% off the coastal waters including the Zhejiang coastal area, the Changjiang estuary, east of the Changjiang estuary, and Subei Shoal given the acceleration in nutrient inputs. In addition, a phenology change in the F
DMS
was found in the Changjiang estuary and east of the Changjiang estuary. Furthermore, the increase in the F
DMS
in the Changjiang estuary and Subei Shoal was ascribed primarily to the elevated surface phytoplankton biomass, while the changes in the surface phytoplankton community contributed considerably to the changes in the F
DMS
in the Zhejiang coastal area and east of the Changjiang estuary. And the sensitivity experiments demonstrated that mainly the elevated Changjiang dissolved inorganic phosphorus inputs led to the increase of the DMS release off these coastal waters. The ratio between the surface concentrations of dissolved inorganic nitrogen (DIN) and dissolved silicate (DSi) might be a crucial indicator for predicating the surface DMS concentration (DMS) under the intensified human activities; a significant positive correlation was found between the change in the surface DMS and DIN:DSi ratio off the coastal area in the East China Sea.
Currently, there is no strong evidence of the well-established biomarkers for immune checkpoint inhibitors (ICIs) in nasopharyngeal carcinoma (NPC). Here, we aimed to reveal the heterogeneity of ...tumour microenvironment (TME) through virtual microdissection of gene expression profiles. An immune-enriched subtype was identified in 38% (43/113) of patients, which was characterized by significant enrichment of immune cells or immune responses. The remaining patients were therefore classified as a non-Immune Subtype (non-IS), which exhibited highly proliferative features. Then we identified a tumour immune evasion state within the immune-enriched subtype (18/43, 42%), in which high expression of exclusion- and dysfunction-related signatures was observed. These subgroups were designated the Evaded and Active Immune Subtype (E-IS and A-IS), respectively. We further demonstrated that A-IS predicted favourable survival and improved ICI response as compared to E-IS and non-IS. In summary, this study introduces the novel immune subtypes and demonstrates their feasibility in tailoring immunotherapeutic strategies.
A tunable electrosynthesis of sulfonyl‐ and bromo‐substituted indolo2,1‐αisoquinoline derivatives has been disclosed. In this reaction, a variety of easily available 2‐aryl‐N‐acryloyl indoles can ...readily react with sulfonyl and/or bromine radicals, which are generated from arylsulfonyl hydrazides and potassium bromide respectively, to furnish the valuable sulfonyl‐ and bromo‐substituted benzindolo‐fused polycyclic compounds in moderate to good yields. Control experiment indicated that the reaction proceeds via a radical cascade cyclization pathway. This protocol features broad substrate scope and good functional group tolerance under transition metal‐free and oxidant‐free conditions.
Zinc finger E-box binding homeobox 1 (ZEB1, also termed TCF8 and δEF1) is a crucial member of the zinc finger-homeodomain transcription factor family, originally identified as a binding protein of ...the lens-specific δ1-crystalline enhancer and is a pivotal transcription factor in the epithelial-mesenchymal transition (EMT) process. ZEB1 also plays a vital role in embryonic development and cancer progression, including breast cancer progression. Increasing evidence suggests that ZEB1 stimulates tumor cells with mesenchymal traits and promotes multidrug resistance, proliferation, and metastasis, indicating the importance of ZEB1-induced EMT in cancer development. ZEB1 expression is regulated by multiple signaling pathways and components, including TGF-β, β-catenin, miRNA and other factors. Here, we summarize the recent discoveries of the functions and mechanisms of ZEB1 to understand the role of ZEB1 in EMT regulation in breast cancer.
Interest in bifacial modules has rapidly increased over the past decade due to their ability to generate more power than conventional monofacial photovoltaic (PV) technology as they can absorb ...sunlight from both sides of the module. Compared to the traditional glass/glass bifacial modules, glass/backsheet modules show many advantages including lighter weight, high light transmittance, and high corrosion resistance. However, research on the weatherability and long‐term reliability of transparent backsheet materials and their usage in bifacial modules under service environments is lacking. In this study, accelerated weather testing using the NIST SPHERE (Simulated Photodegradation via High Energy Radiant Exposure) was conducted to investigate the durability of three fluoropolymer‐based transparent backsheets and their laminated coupon counterparts. The transparent backsheets were exposed at 75°C/50% relative humidity (RH), while the coupons were exposed at 65°C/50% RH, both subjected to UV irradiance of approximately 140 W/m2 for up to 2000 h. Results indicate that a fluoroethylene vinyl ether (FEVE)/polyethylene terephthalate (PET)/ethylene‐vinyl acetate (EVA)‐based transparent backsheet (CB3) exhibited substantial chemical, optical, thermal, and mechanical changes and ultimate cracking after 1200 h (≈600 MJ/m2). The other two backsheets, polyvinyl fluoride (PVF)/PET/FEVE‐based (CB1) and polyvinylidene fluoride (PVDF)/PET/FEVE‐based (CB2) backsheets, showed no obvious signs of cracking up to 2000 h of UV exposure (≈1000 MJ/m2). For all three backsheets, the PET core layer demonstrated the greatest material property changes after UV exposure indicating that this layer is the most susceptible to UV degradation. Results indicate that the application of transparent backsheets for bifacial modules is promising. However, proper design of the layers of the backsheets for increasing the stability of PET core layer under UV exposure is critical. This study will provide a scientific basis for material choice and product development for a more reliable bifacial PV technology.
Transparent backsheets with a fluoropolymer‐based outer layer and PET core layer were exposed at 75°C/50% relative humidity (RH) while being subjected to UV irradiance of approximately 140 W/m2 for up to 2000 h. Results show degradation is most likely to take place in the PET core layer due to post‐crystallization and chain scission of the polymer. A 2D projection of confocal image and a line depth profile reveal the cracks are present through all but the outer exposed layer of a cracked backsheet.
Electrochemical impedance spectroscopy (EIS) is used not only to give a thorough understanding of reaction kinetics and transport mechanisms in lithium-ion batteries (LIBs), but also to provide a ...promising nondestructive tool for state of charge (SOC) estimation. Although various equivalent circuit models (ECMs) have been proposed to model impedance spectra, the impact of SOC on circuit parameters is often neglected in these models. In this study, the nonlinear relationship between circuit parameters and SOC is explicitly characterized using analytical polynomial functions. The effect of polynomial order is systematically investigated by means of fitting and prediction accuracy, in which the prediction performance is evaluated using leave-one-out cross-validation (LOOCV) method. The EIS measurements of a 20-A·h commercial LIB are performed to demonstrate the effectiveness of the proposed model. The results show that a seventh-order polynomial function is sufficiently high to capture the nonlinear effect of SOC on circuit parameters. Moreover, the LOOCV prediction performance of the polynomial function-based ECM is probably better than that of a common interpolation-based ECM.
Glutathione peroxidases (GPxs) belong to a family of enzymes that is important in organisms; these enzymes promote hydrogen peroxide metabolism and protect cell membrane structure and function from ...oxidative damage. Based on the establishment and development of the theory of the pathological roles of free radicals, the role of GPxs has gradually attracted researchers' attention, and the involvement of GPxs in the occurrence and development of malignant tumors has been shown. On the other hand, the incidence of breast cancer in increasing, and breast cancer has become the leading cause of cancer-related death in females worldwide; breast cancer is thought to be related to the increased production of reactive oxygen species, indicating the involvement of GPxs in these processes. Therefore, this article focused on the molecular mechanism and function of GPxs in the occurrence and development of breast cancer to understand their role in breast cancer and to provide a new theoretical basis for the treatment of breast cancer.
Tunable halofluoroalkylation and hydrofluoroalkylation of 1,6‐enynes were first reported by switching between copper‐catalysis and photocatalysis, leading to the atom‐economic and highly ...stereoselective protocols toward functionalized 1‐indenones with moderate to good yields. Copper‐catalysis enabled the concomitant incorporation of two important fluoroalkyl and halo functionalities into 1‐indenone skeleton, in which fluoroalkyl bromides were transformed into (E)‐1‐indenones as a major stereoisomer while fluoroalkyl iodides oriented complete Z‐selectivity to access (Z)‐1‐indenones. Specifically, photocatalysis allowed hydrofluoroalkylation of 1,6‐enynes to access fluoroalkylated (Z)‐1‐indenones under mild conditions, in which THF behaved as a hydrogen source. These two approaches feature remarkable compatibility with a wide variety of 1,6‐enynes and fluoroalkyl halides and excellent atomic utilization.
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