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The Malaria Box molecules: a source for targeting the RBD and NTD cryptic pocket of the spike glycoprotein in SARS-CoV-2
ContextSARS-CoV-2, responsible for COVID-19, has led to over 500 million infections and more than 6 million deaths globally. There have been limited...
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Extraction of uranyl from spent nuclear fuel wastewater via complexation—a local vibrational mode study
ContextThe efficient extraction of uranyl from spent nuclear fuel wastewater for subsequent reprocessing and reuse is an essential effort toward...
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3D stem-like spheroids-on-a-chip for personalized combinatorial drug testing in oral cancer
BackgroundFunctional drug testing (FDT) with patient-derived tumor cells in microfluidic devices is gaining popularity. However, the majority of...
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Advances in nanomaterial-targeted treatment of acute lung injury after burns
Acute lung injury ( ALI ) is a common complication in patients with severe burns and has a complex pathogenesis and high morbidity and mortality rates....
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Engineering nanoparticles-enabled tumor-associated macrophages repolarization and phagocytosis restoration for enhanced cancer immunotherapy
Tumor-associated macrophages (TAMs) are pivotal within the immunosuppressive tumor microenvironment (TME), and recently, have attracted intensive...
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Coherent spin transport in a copper protein
ContextThe coherent electron/spin transport in azurin, a species of copper protein, was calculated based on the Landauer model. The research is...
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Targeting SUMOylation with an injectable nanocomposite hydrogel to optimize radiofrequency ablation therapy for hepatocellular carcinoma
BackgroundIncomplete radiofrequency ablation (iRFA) in hepatocellular carcinoma (HCC) often leads to local recurrence and distant metastasis of the...
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Simulations on coal water slurry gasification by molecular dynamics method with ReaxFF
ContextCoal water slurry (CWS) is a new type of liquid coal product with low pollution, which is mainly used in the chemical industry to produce...
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Tunable electronic and magnetic properties of defective g-ZnO monolayer do** with non-metallic elements
ContextThe electronic and magnetic properties of non-metallic (NM) elements do** defective graphene-like ZnO (g-ZnO) monolayer including O vacancy...
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Temperature and humidity effects on the acetone gas sensing of pristine and Pd-doped WO3 clusters: A transition state theory study
ContextThe performance of pristine and Pd-doped WO 3 acetone gas sensors is calculated theoretically and compared with available experimental...
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Chiral MoS2@BC fibrous membranes selectively promote peripheral nerve regeneration
BackgroundMolybdenum disulfide (MoS 2 ) has excellent physical and chemical properties. Further, chiral MoS 2 (CMS) exhibits excellent chiroptical and...
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Diethylbenzene and ethyltoluene adsorption studies on novel beta antimonide phosphorus nanosheets—a first-principle study
ContextIn the present work, we examined the sensing behavior of monolayer beta antimonide phosphorus (β-SbP) sheets towards toxic volatile organic...
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Nanomaterial-related hemoglobin-based oxygen carriers, with emphasis on liposome and nano-capsules, for biomedical applications: current status and future perspectives
Oxygen is necessary for life and plays a key pivotal in maintaining normal physiological functions and treat of diseases. Hemoglobin-based oxygen...
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Manganese-derived biomaterials for tumor diagnosis and therapy
Manganese (Mn) is widely recognized owing to its low cost, non-toxic nature, and versatile oxidation states, leading to the emergence of various...
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Evaluating the pro-survival potential of apoptotic bodies derived from 2D- and 3D- cultured adipose stem cells in ischaemic flaps
In the realm of large-area trauma flap transplantation, averting ischaemic necrosis emerges as a pivotal concern. Several key mechanisms, including...
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Effect of alkyl glucoside concentration on functional group structure and adsorption characteristics of anthracite
ContextTo investigate the influence of different concentrations of surfactants on the adsorption of anthracite, the nonionic surfactant alkyl...
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Molecular dynamics (MD) study to predict performances of a novel hexanitrohexaazaisowurtzitane/1,4-dinitroimidazole (CL-20/1,4-DNI) energetic cocrystal under different temperatures
ContextTo estimate the influence of temperature on properties of 2,4,6,8,10,12-hexanitro- 2,4,6,8,10,12-hexaazaisowurtzitane/1,4-dinitroimidazole...
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Theory guided engineering of zeolite adsorbents for acaricide residue adsorption from the environment
ContextZeolites have attracted attention for their potential in adsorbing environmental contaminants. However, contaminants, such as acaricides used...
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First-principles study on the effect of torsional deformation on WSe2 as an anode material for calcium ion batteries
ContextIn this paper, the effects of torsional deformation on the electronic properties of intrinsic WSe 2 system and Ca-adsorbed WSe 2 system were...
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A cascade nanosystem with “Triple-Linkage” effect for enhanced photothermal and activatable metal ion therapy for hepatocellular carcinoma
Due to the limitations of single-model tumor therapeutic strategies, multimodal combination therapy have become a more favorable option to enhance...
