Synergistic integration of MXene nanostructures into electrospun fibers for advanced biomedical engineering applications.

MXene-based architectures have paved the way in various fields, particularly in healthcare area, owing to their remarkable physiochemical and electromagnetic characteristics. Moreover, the modification of MXene structures and their combination with polymeric networks have gained considerable prominence to further develop their features. The combination of electrospun fibers with MXenes would be promising in this regard since electrospinning is a well-established technique that is now being directed toward commercial biomedical applications.

Molecular property prediction based on graph structure learning.

Motivation: Molecular property prediction (MPP) is a fundamental but challenging task in the computer-aided drug discovery process. More and more recent works employ different graph-based models for MPP, which have achieved considerable progress in improving prediction performance. However, current models often ignore relationships between molecules, which could be also helpful for MPP.

All-stage targeted red blood cell membrane-coated docetaxel nanocrystals for glioma treatment.

Challenges for glioma treatment with nanomedicines include physio-anatomical barriers (the blood-brain barrier and blood-brain tumor barrier), low drug loading capacity, and limited circulation time. Here, a red blood cell membrane-coated docetaxel drug nanocrystal (pV-RBCm-NC(DTX)), modified with pHA-VAP (pV) for all-stage targeting of glioma, was designed. The NC(DTX) core exhibited a high drug loading capacity but low in vivo stability, and the RBCm coating significantly enhanced the stability and prolonged in vivo circulation.

All-stage targeted therapy for the brain metastasis from triple-negative breast cancer.

Brain metastasis is a common and serious complication of breast cancer, which is commonly associated with poor survival and prognosis. In particular, the treatment of brain metastasis from triple-negative breast cancer (BM-TNBC) has to face the distinct therapeutic challenges from tumor heterogeneity, circulating tumor cells (CTCs), blood-brain barrier (BBB) and blood-tumor barrier (BTB), which is in unmet clinical needs. Herein, combining with the advantages of synthetic and natural targeting moieties, we develop a "Y-shaped" peptide pVAP-decorated platelet-hybrid liposome drug delivery system to address the all-stage targeted drug delivery for the whole progression of BM-TNBC.

Identifying essential proteins from protein-protein interaction networks based on influence maximization.

Background: Essential proteins are indispensable to the development and survival of cells. The identification of essential proteins not only is helpful for the understanding of the minimal requirements for cell survival, but also has practical significance in disease diagnosis, drug design and medical treatment. With the rapidly amassing of protein-protein interaction (PPI) data, computationally identifying essential proteins from protein-protein interaction networks (PINs) becomes more and more popular.

In vivo self-assembled drug nanocrystals for metastatic breast cancer all-stage targeted therapy.

Chemotherapy is still the mainstay treatment for metastatic triple-negative breast cancers (TNBC) currently in clinical practice. The unmet needs of chemotherapy for metastatic TNBC are mainly from the insufficient drug delivery and unavailable targeting strategy that thwart the whole progression of metastatic TNBC. The in vivo ligands-mediated active targeting efficiency is usually affected by protein corona.

Protein-protein interaction prediction based on ordinal regression and recurrent convolutional neural networks.

Background: Protein protein interactions (PPIs) are essential to most of the biological processes. The prediction of PPIs is beneficial to the understanding of protein functions and thus is helpful to pathological analysis, disease diagnosis and drug design etc. As the amount of protein data is growing fast in the post genomic era, high-throughput experimental methods are expensive and time-consuming for the prediction of PPIs.

Impact of macroporous silica nanoparticles at sub-50nm on bio-behaviors and biosafety in drug-resistant cancer models.

The in vivo bio-behaviors and biosafety of nanoparticles were demonstrated to be closely correlated with particle sizes, which illustrated whether they could be used as the effective drug delivery carriers. Though tumor penetration capabilities of the small pore sized-mesoporous silica nanoparticles (MSNs) were reported to be in a particle size-dependent manner, the size effects of large pore sized-MSNs on the safe and effective cancer resistance treatment, especially at sub-50 nm, were not explicitly evaluated. In this study, we fabricate the 20 nm and 50 nm MSNs, and aim at investigating their difference in tumor accumulation, penetration, retention and toxicity both in vitro and in vivo.

Cancer-targeted and intracellular delivery of Bcl-2-converting peptide with functional macroporous silica nanoparticles for biosafe treatment.

Therapeutic peptide, NuBCP-9 (N9) as a Bcl-2 functional converter, has been demonstrated to have the remarkable anticancer efficiency in Bcl-2-abundant cancer. However, it faced technical challenges in clinical use, such as the low bioavailability, the easily-destroyed bio-stability, and the insusceptibility to cellular interior. With the potential of mesoporous silica nanoparticles (MSNs) as the promising delivery vehicle of therapeutic macromolecules, we developed a kind of MSNs with the surface coating of folic acid (FA) for cancer cell targeting and with the macropore loading of N9 peptide for cancer therapy.

Macroporous organosilicon nanocomposites co-deliver Bcl2-converting peptide and chemotherapeutic agent for synergistic treatment against multidrug resistant cancer.

Therapeutic biomacromolecules are confronted with in vivo challenges of low bio-stability and poor tumor tissue-penetration. Herein, we report for the first time, our development and characterization of a hybrid nanocomposite for delivering a Bcl-2-converting peptide (NuBCP9, N9 hereafter) and testing its efficacy alone or together with doxorubicin (DOX). The hybrid nanocomposite is composed of the internal large pore sized-mesoporous silica nanoparticles (MSNs) and the external highly-branched polyamidoamine (PAMAM) dendrimers, into which N9 peptide and DOX were encapsulated for the different sub-cellular delivery to treat drug-resistant cancer.

Dendrimer-like mesoporous silica nanospheres with suitable surface functionality to combat the multidrug resistance.

Multidrug resistance (MDR), as a major obstacle in cancer therapy, has resulted in over 90% of cancer chemotherapeutic failure. Mesoporous silica nanospheres (MSNs) have been demonstrated to be tuned with large pore sizes, mediating the MDR-reversal effects. However, the study that surface functionality of the large pore sized-MSNs affects the MDR-overcoming effects hasn't been extensively studied.

Macroporous silica nanoparticles for delivering Bcl2-function converting peptide to treat multidrug resistant-cancer cells.

The abundance of B cell lymphoma gene 2 (Bcl-2) is closely correlated with the resistance of cancer cells to chemotherapeutic agents, and a peptide derived from orphan nuclear receptor Nur77 can convert Bcl-2 from a protector to a killer of cancer cells. However, successful application of the Bcl-2-converting peptide to treat drug-resistant cancer cells depends on an efficient delivery carrier. Mesoporous silica nanoparticles (MSNs) have been extensively studied as promising candidates for small molecule drug delivery.

Spectroscopic investigations on the simulated solar light induced photodegradation of 4-nitrophenol by using three novel copper(II) porphyrin-TiO2 photocatalysts.

Three porphyrins containing different functional groups (-OH, C-O2C2H5, -COOH), 5-(4-hydroxy) phenyl-10,15,20-triphenyl porphyrin (1a), 5-(4-ethylacetatatomethoxy) phenyl-10,15,20-triphenyl porphyrin (1b), 5-(4-carboxylatomethoxy) phenyl-10,15,20-triphenyl porphyrin (1c), were synthesized and characterized spectroscopically. The CuPp(2a, 2b, 2c)-TiO2 photocatalysts were then prepared and characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), UV-vis diffuse reflectance spectroscopy (UV-vis-DRS), Fourier-transform infrared spectroscopy (FT-IR). The photocatalytic activities of the photocatalysts were investigated by carrying out the photodegradation of 4-nitrophenol in aqueous solution under simulated solar irradiation.

[Studies on the anion recognition of N-aryl-N'-(4-ethyloxybenzoyl) thioureas derivatives by spectroscopy].

The interactions of N-aryl-N'-(4-ethyloxybenzoyl) thioureas derivatives and anions such as F-, Cl-, Br-, I-, CH3COO-, H2POT4-, HSO4- and NO3- in DMSO were investigated by UV-Vis and 1H NMR spectroscopy. The results showed that hydrogen--bonding complexes were formed between receptors and the three anions such as F-, CH3COO- and H2PO4-, and the solutions turned light yellow from colorlessness, but there had no evident binding with Cl-, Br-, I-, HSO4- and NO3-. It was regular that the two receptors had different binding ability with F-, CH3COO- and H2PO4-.

[UV spectroscopic characterization of the inclusion interaction of beta-cyclodextrin and sym-diphenyl-thiourea and sym-diphenyl-urea].

The inclusion interaction of beta-cyclodextrin and sym-diphenyl-thiourea and sym-diphenyl-urea was studied by UV spectra. The stoichiometry ratio for the formation of the inclusion complexes was determined by Hildebrand-Benesi equation linear analysis and molar ratio method. The standard molar Gibbs energies, enthalpies, and entropies were derived for the inclusion process by Ks at different temperatrues.