Aggregation-induced emission-twisted intramolecular charge transfer-activated fluorescent probe for analyzing mitochondrial viscosity in cells and zebrafish.

Mitochondria are crucial energy-supplying organelles that support cellular activities and play vital roles in cell metabolism, aging, autophagy, and apoptosis. Abnormal viscosity can alter the mitochondrial microenvironment, disrupt normal mitochondrial function, and lead to disease. To address this, we designed and developed two aggregation-induced emission-twisted intramolecular charge transfer fluorescent probes, namely, (E)-1,1,3-trimethyl-2-(4-(1,2,2-triphenylvinyl)styryl)-1H-benzo[e]indol-3-ium (HSL-1) and (E)-2-(4-(di-p-tolylamino)styryl)-1,3,3-trimethyl-1H-benzo[e]indol-3-ium (HSL-2).

Attention-guided context asymmetric fusion networks for the liver tumor segmentation of computed tomography images.

Background: Liver tumor segmentation based on medical imaging is playing an increasingly important role in liver tumor research and individualized therapeutic decision-making. However, it remains a challenging in terms of the accuracy of automatic segmentation of liver tumors. Therefore, we aimed to develop a novel deep neural network for improving the results from the automatic segmentation of liver tumors.

The function and therapeutic potential of transfer RNA-derived small RNAs in cardiovascular diseases: A review.

Transfer RNA-derived small RNAs (tsRNAs) are a class of small non-coding RNA (sncRNA) molecules derived from tRNA, including tRNA derived fragments (tRFs) and tRNA halfs (tiRNAs). tsRNAs can affect cell functions by participating in gene expression regulation, translation regulation, intercellular signal transduction, and immune response. They have been shown to play an important role in various human diseases, including cardiovascular diseases (CVDs).

Carbazole-based mitochondria-targeted fluorescent probes for in vivo viscosity and cyanide detection in cells and zebrafish.

Cells of most eukaryotic species contain mitochondria, which play a role in physiological processes such as cellular senescence, metabolism, and autophagy. Viscosity is considered a key marker for many illnesses and is involved in several crucial physiological processes. Cyanide (CN) can target cytochrome-c oxidase, disrupting the mitochondrial electron transport chain and causing cell death through asphyxiation.

High S-doped amorphous carbon/carbon quantum dots coupled micro-frame for highly efficient potassium storage.

Anode materials with excellent rate capability, capacity, and cycle life have been a challenge in obtaining cost-effective K-ion batteries (KIBs). Based on the concept of waste recycling, we prepared the S-doped (21.5%) amorphous carbon/carbon quantum dots coupled micro-frame (SCMF) by combining chemical exfoliation and S/Se-assisted carbonization.

Research progress on post-translational modification of proteins and cardiovascular diseases.

Cardiovascular diseases (CVDs) such as atherosclerosis, myocardial remodeling, myocardial ischemia-reperfusion (I/R) injury, heart failure, and oxidative stress are among the greatest threats to human health worldwide. Cardiovascular pathogenesis has been studied for decades, and the influence of epigenetic changes on CVDs has been extensively studied. Post-translational modifications (PTMs), including phosphorylation, glycosylation, methylation, acetylation, ubiquitination, ubiquitin-like and nitrification, play important roles in the normal functioning of the cardiovascular system.

Emerging roles of ferroptosis in cardiovascular diseases.

The mechanism of cardiovascular diseases (CVDs) is complex and threatens human health. Cardiomyocyte death is an important participant in the pathophysiological basis of CVDs. Ferroptosis is a new type of iron-dependent programmed cell death caused by excessive accumulation of iron-dependent lipid peroxides and reactive oxygen species (ROS) and abnormal iron metabolism.

Isomerization energies and surface electrostatic potential analyses on nitriles and isocyanides.

Isocyanide-nitrile rearrangement has long been a continuing and interesting topic. A series of nitriles and isocyanides with the substituents of R = -AlH, -BeH, -BH, -C≡CH, -CF, -CH, -Cl, -C≡N, -COOH, -F, -H, Li, -MgH, -Na, -NH, -NO, -OH, -PH, -SH, -SiH, and -CH = CH were investigated systematically based on full optimization at B3LYP-D3(BJ)/def2-QZVP level, and the isomerization energies from R-C≡N to:C = N-R were estimated. The substituent effect and bonding characters were analyzed by surface ESP colored van der Waals surfaces in conjunction with the global and local electrostatic extrema.

Triazole-directed fabrication of polyoxovanadate-based metal-organic frameworks as efficient multifunctional heterogeneous catalysts for the Knoevenagel condensation and oxidation of alcohols.

By introducing 4-amino-1,2,4-triazole (4-NH2-trz), three new polyoxovanadate-based metal-organic frameworks (PMOFs) [Ni3(4-NH2-trz)6][V6O18]·3H2O (1), [Co3(4-NH2-trz)6][V6O18]·3H2O (2) and [Cu3OH(4-NH2-trz)3H2O][VO3]5·H2O (3) have been synthesized and thoroughly characterized by single-crystal X-ray diffraction (SXRD), powder X-ray diffraction (PXRD), infrared spectroscopy (FT-IR), thermogravimetric (TG) analysis and elemental analysis (EA). Among them, PMOFs 1 and 2 had similar structures containing [V6O18]6- clusters; however, PMOF 3 was isolated as a structure containing a [VO3]55- cluster when the amount of the 4-NH2-trz ligand was reduced to half with the other synthesis conditions being the same as those of PMOFs 1 and 2 except for the transition-metal chlorides. Furthermore, the negative charges of polyoxovanadate [V6O18]6- and [VO3]55- anions were balanced by trinuclear complex cations [Ni3(4-NH2-trz)6]6- for 1, [Co3(4-NH2-trz)6]6- for 2 and [Cu3OH(4-NH2-trz)3H2O]5- for 3, respectively.

High-Yield and High-Efficiency Conversion of HMF to Levulinic Acid in a Green and Facile Catalytic Process by a Dual-Function Brønsted-Lewis Acid HScCl Catalyst.

Lignocellulosic biorefineries have received considerable attention for the purpose of producing high-value chemicals and materials. Levulinic acid (LA) is an important biomass-derived platform chemical that is produced from sugar-based biomass. Unfortunately, the catalysts reported thus far have shortcomings, such as expensive starting materials, complicated synthesis or purification operations, and a low LA yield under harsh reaction conditions.

Efficacy and safety of fire acupuncture for psoriasis vulgaris: A protocol of systematic review and meta-analysis of randomized clinical trials.

Introduction: Fire acupuncture is commonly used for the treatment of psoriasis vulgaris, but the efficacy and safety of fire acupuncture for psoriasis vulgaris remain unclear.

Methods: This systematic review and meta-analysis will be conducted and reported strictly according to Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) guidelines. Five databases including China National Knowledge Infrastructure (CNKI), Wanfang, VIP, Chinese biomedical literature, and Pubmed will be retrieved for potentially eligible studies from their inception to Jan.

Integrated Chinese and western medicine for SLE: A protocol for systematic review and meta-analysis.

Background: The efficacy and safety of integrated Chinese and western medicine in the treatment of Systemic Lupus Erythematosus (SLE) have not been systematically evaluated.

Methods: This systematic review and meta-analysis will be performed and reported according to Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) guidelines. We will search PubMed, Embase, Cochrane Library, Chinese Biomedical Database WangFang, VIP, and China National Knowledge Infrastructure (CNKI) for potentially eligible studies from their inception to Dec.

TOF-SIMS surface analysis of chemical components of size-fractioned urban aerosols in a typical heavy air pollution event in Beijing.

Size-fractioned atmospheric aerosol particles were collected during a typical heavy air pollution event in Beijing. The organic and inorganic components on the surfaces of the samples were analyzed using time-of-flight secondary ion mass spectrometry (TOF-SIMS). The variation characteristics of the surface chemical composition and influencing factors were studied, and the possible sources of these chemical compositions were identified through principal component analysis.

TD-M06-2X insights into the absorption and emission spectra of dichlorvos and its molecularly imprinted recognition by methacrylic acid.

The absorption and emission spectra of dichlorvos and the dichlorvos-MAA complex in methanol, water, and chloroform in the molecularly imprinted recognition were investigated systematically. The M06-2X results revealed that: 1) the hydroxyl groups in polar solvents such as methanol and water may markedly influence the weak interactions, and then alter the adsorption and emission spectra; 2) the electronic excitation in absorption spectra of dichlorvos is dominated by the configuration HOMO → LUMO, but in the most stable dichlorvos-MAA it becomes the ππ* excitation of HOMO → LUMO + 1; 3) Mulliken charges reveal that dichlorvos almost dissociates to Cl and a cation in its S excitation state; 4) the phosphorescence spectra of dichlorvos-MAA are relatively weak. Graphical Abstract The absorption and emission spectra of dichlorvos and the dichlorvos-MAA complex in the molecularly imprinted recognition of dichlorvos were investigated systematically in methanol, water, and chloroform as solvents.

A preliminary analysis of the surface chemistry of atmospheric aerosol particles in a typical urban area of Beijing.

Atmospheric aerosol particle samples were collected using an Ambient Eight Stage (Non-Viable) Cascade Impactor Sampler in a typical urban area of Beijing from 27th Sep. to 5th Oct., 2009.

Theoretical study on the oligomerization mechanisms of bihydroxysilicone.

Bihydroxysilicone SiO(OH)2 is the simplest silicone monomer and can be condensed to various silica materials with diverse properties. The oligomerization mechanisms of SiO(OH)2 were investigated systematically at B3LYP/6-311++G(d,p) level. All species including the monomers, dimers, trimers, and tetramers were fully optimized with CPCM solvation model to simulate the solvent environments in methanol.

Mapping of a Novel Race Specific Resistance Gene to Phytophthora Root Rot of Pepper (Capsicum annuum) Using Bulked Segregant Analysis Combined with Specific Length Amplified Fragment Sequencing Strategy.

Phytophthora root rot caused by Phytophthora capsici (P. capsici) is a serious limitation to pepper production in Southern China, with high temperature and humidity. Mapping PRR resistance genes can provide linked DNA markers for breeding PRR resistant varieties by molecular marker-assisted selection (MAS).

Ursolic acid-loaded chitosan nanoparticles induce potent anti-angiogenesis in tumor.

Angiogenesis provides necessary nutrients and oxygen for tumor growth and metastasis; thus, every stage of angiogenesis process is the potential target for cancer therapies. Ursolic acid (UA) is reported to decrease tumor burden through anti-angiogenesis pathway, but its poor water solubility greatly limits its efficiency and clinical application. Here, a simple method for preparing UA-loaded chitosan nanoparticles (CH-UA-NPs) with anti-angiogenesis and anti-tumor activity was demonstrated.

Catalytic mechanisms of Au₁₁ and Au₁₁-nPt n (n=1-2) clusters: a DFT investigation on the oxidation of CO by O₂.

The oxidation of CO catalyzed by clusters of Au11, Au10Pt and Au9Pt2 was investigated using the M06 functional suite of the density functional theory. Au and Pt atoms were described with the double-ζ valence basis set Los Alamos National Laboratory 2-double-z (LanL2DZ), whereas the standard 6-311++G(d,p) basis set was employed for the C and O atoms. Our theoretical model showed that (1) after coordination to Au and Au-Pt cluster, O2 and CO are apparently activated, and Mulliken charges show that the gold atoms in the active sites of Au11 are negatively charged; (2) Au-Pt clusters with 11 atoms can effectively catalyze the oxidation of CO by O2; (3) Au11 exhibits good catalytic performance for the oxidation of CO; (4) oxidation of CO occurs preferably on the Au-Pt active sites in Pt-doped clusters, and the single-center mechanisms are more favorable energetically than the two-center mechanisms; (5) after adsorption, an O2 molecule oxidates two CO molecules via stepwise mechanisms; and (6) the catalytic processes are highly exothermic.

[Density functional theory investigations of the spectroscopic characteristics and luminescent mechanisms of dipterex and dichlorvos].

By using G09 program package, the ground-state structures, infrared spectra, NMR spectra, UV-Vis spectra as well as the excited structures and fluorescence/phosphorescence spectra of dipterex and dichlorvos were investigated systematically, and luminescence principles were analyzed with the molecular orbitals to provide the theoretical foundation for the detection of trace dipterex and dichlorvos. Our theoretical model revealed that the IR spectra of dipterex and dichlorvos bear strong absorptions at about 1107 cm(-1), which belong to the P-O stretch modes, but dipterex has strong absorption peaks involving the O-H bond; for UV-Vis spectra, dichlorvos has a strong absorption peak at 182.03 nm, but dipterex has a weak one at 192.

Theoretical investigations on the synthesis mechanism of cyanuric acid from NH₃ and CO₂.

In the synthesis of cyanuric acid from NH3 and CO2, urea and isocyanic acid OCNH are two pivotal intermediates. Based on density functional theory (DFT) calculations, the synthesis mechanism of cyanuric acid from NH3 + CO2 was investigated systematically. Urea can be synthesized from NH3 and CO2, and cyanuric acid can be obtained from urea or NH3 + CO2.

Mechanistic investigations of Al(OH)₃ oligomerization mechanisms.

Aluminum aerogels have extremely low thermal conductivities, and are ideal candidates for use in thermal superinsulators, adsorbents, sensors, catalyst carriers, and inorganic fillers. In the present work, the oligomerization mechanisms of Al(OH)3 were investigated systematically with the Gaussian 03 package at the B3LYP/6-311++G(d,p) level in combination with CPCM single-point energy calculations. The results of our theoretical model showed that: (1) the Al atoms are tetracoordinate and pentacoordinate; (2) in alkaline solution, Al(OH)3 tends to condense into more soluble polyhydroxy compounds; (3) the neutral dimerization of Al(OH)3 and the transfer of the hydrogen on the bridging hydroxyl are energetically favorable, but the most stable geometry is a four-membered Al-O ring structure linked by two bridging hydroxyls; (4) Al(OH)3 is inclined to form tetracoordinate oligomers, which develop into three-dimensional structures connected by four-membered Al-O rings.

Mechanisms of silicon alkoxide hydrolysis-oligomerization reactions: a DFT investigation.

Silica aerogels possess a variety of unique and remarkable properties, but the mechanisms of silicon alkoxide, Si(OR)(4), hydrolyses and oligomerization in the initial stage of sol-gel processes are still not well understood. On the basis of density functional theory calculations at the B3LYP/6-31G(d,p)//B3LYP/6-311++G(d,p) basis set level, the hydrolysis and oligomerization reactions of Si(OR)(4) in neutral, acidic, and alkaline solutions were systematically investigated and we found that in acidic solutions the precursor Si(OCH(3))(4) was inclined to hydrolyze rather than to condense and the hydrolysis processes were energetically more favorable than the neutral ones. In alkaline solutions, the hydrolysis products oligomerize through an S(N)1 dimerization mechanism and the condensation rates are fast to form denser colloidal aerogels.

Mechanisms of hydrolysis-oligomerization of aluminum alkoxide Al(OC3H7)3.

As one of the representative superinsulating materials, the aluminum trioxypropyl Al(OC(3)H(7))(3) aerogel may be applied in launch vehicles and manned spacecrafts. In this study, the structures and hydrolysis mechanisms of the monomer, dimers, and trimers of Al(OC(3)H(7))(3) in neutral and alkaline environments were studied at the B3LYP/6-31G(d,p) level by using the CPCM solvation model to understand the fundamental chemistry of Al(OC(3)H(7))(3) hydrolysis and oligomerization. Our calculation shows that the first-order hydrolyses of the monomer and oligomers are energetically favorable in both alkaline and neutral solutions.