Lipidomics plays an essential role in the development of an improved understanding of lipids metabolism and the identification of new biomarkers or therapeutic targets of related diseases. The strong ...analytical power of mass spectrometry and its rapid developments in the respect of instruments and techniques have significantly accelerated the emerging lipidomics and related application fields in biology, medicine, and pharmacy. The strategy of chemical derivatization can remarkably improve the shortcomings of mass spectrometric analytical technologies of shotgun lipidomics and liquid chromatography mass spectrometry, and in the past decade many related studies have been reported for fatty acids, glycerophospholipids, sphingomyelins, monoglycerides, diacylglycerols, long‐chain bases, steroids, and so on. Therefore, this review will focus on new chemical derivatization approaches about the research progresses of shotgun‐based and liquid chromatography mass spectrometry–based targeted lipidomics (from 2005 to July 2019, most of reports emerged in the past 5 years), and put forward the problems and prospects in this field. It is expected to be helpful for the design and synthesis of new derivatization reagents, especially the outstanding stable isotope labeling derivatization reagents, and the development and application of new chemical derivatization strategies and matched mass spectrometric analysis methods.
Plant secondary metabolites (SMs) are not only a useful array of natural products but also an important part of plant defense system against pathogenic attacks and environmental stresses. With ...remarkable biological activities, plant SMs are increasingly used as medicine ingredients and food additives for therapeutic, aromatic and culinary purposes. Various genetic, ontogenic, morphogenetic and environmental factors can influence the biosynthesis and accumulation of SMs. According to the literature reports, for example, SMs accumulation is strongly dependent on a variety of environmental factors such as light, temperature, soil water, soil fertility and salinity, and for most plants, a change in an individual factor may alter the content of SMs even if other factors remain constant. Here, we review with emphasis how each of single factors to affect the accumulation of plant secondary metabolites, and conduct a comparative analysis of relevant natural products in the stressed and unstressed plants. Expectantly, this documentary review will outline a general picture of environmental factors responsible for fluctuation in plant SMs, provide a practical way to obtain consistent quality and high quantity of bioactive compounds in vegetation, and present some suggestions for future research and development.
Coronary sinus perforation is a life‐threatening complication of transseptal puncture and needs to be repaired immediately. In this study, we report a case of a 74‐year‐old female patient with ...nonvalvular atrial fibrillation, who is a poor long‐term anticoagulation candidate. During the manipulation of transseptal puncture, a perforation of the free right atrial wall at the coronary sinus ostium occurred, which was caused by the Brockenbrough needle and followed by the immediate advancement of an 8.5‐French transseptal sheath. In consideration of the danger of cardiac tamponade after sheath removal, we decided to leave the 8.5‐French sheath in the pericardial cavity. Then, we advanced a 6 mm ventricular septal occluder through the sheath. Finally, we achieved successful deployment of the device and closure of the perforation under the guidance of fluoroscopy and transthoracic echocardiography. Subsequently, the left atrial appendage orifice was occluded with a 21 mm Watchman device. This case illustrates that percutaneous device closure is feasible for inadvertent perforation of the free right atrial wall at the coronary sinus during transseptal puncture and should be considered as an alternative to surgery.
•A novel binary classification scheme for prediction of drug side effect was built.•A prediction model for the binary classification was proposed.•The prediction model integrated several ...heterogeneous information of drugs.•Several comparisons were performed to indicate the effectiveness of the model.•Drug similarity in fingerprint is most related to drug side effects.
Drugs can produce intended therapeutic effects to treat different diseases. However, they may also cause side effects at the same time. For an approved drug, it is best to detect all side effects it can produce. Otherwise, it may bring great risks for pharmaceuticals companies as well as be harmful to human body. It is urgent to design quick and reliable identification methods to detect the side effects for a given drug. In this study, a binary classification model was proposed to predict drug side effects. Different from most previous methods, our model termed the pair of drug and side effect as a sample and convert the original problem to a binary classification problem. Based on the similarity idea, each pair was represented by five features, each of which was derived from a type of drug property. The strong machine learning algorithm, random forest, was adopted as the prediction engine. The ten-fold cross-validation on five datasets with different negative samples indicated that the proposed model yielded a good performance of Matthews correlation coefficient around 0.550 and AUC around 0.8492. In addition, we also analyzed the contribution of each drug property for construction of the model. The results indicated that drug similarity in fingerprint was most related to the prediction of drug side effects and all drug properties gave less or more contributions.
An alkali treatment is necessary for natural plant fibers employed as reinforcing additives in inorganic cementitious materials, aiming to diminish moisture sensitivity and facilitate interlocking ...between the matrix and additives. Recycling alkali-treated fiber wastewaters (ATFWs) is crucial to prevent significant environmental pollution. Sisal fiber (SF)-reinforced alkali-activated slag-based composites incorporating ATFWs were prepared and compared to the control, aiming to investigate the effects of alkali-treated SFs and recycled ATFWs on the long-term mechanical properties and microstructures. Initially, the influence of the treated duration of SFs was examined on the electrical conductivity (EC) of ATFWs. Subsequently, the effects of SFs and ATFWs on the 28-day and 360-day flexural and compressive strengths were investigated, including an observation of failure modes. Furthermore, the effect mechanism of ATFWs in SF-reinforced composites was detected concerning morphology, microstructure, and composition by using diverse analytical techniques such as Scanning Electron Microscopy (SEM), Energy-Dispersive Spectroscopy (EDS), X-ray Diffraction (XRD), Fourier-Transform Infrared Spectroscopy (FTIR), and Thermogravimetric-Differential Scanning Calorimetry (TG-DSC). The results show that the inclusion of ATFWs diminishes electrical conductivity (EC) and density while augmenting the flexural and compressive strengths of the composites. When extending the treatment duration of SFs in a 10% NaOH solution from 1 hour to 3 hours for SF-reinforced composites, the 360-day flexural and compressive strengths for samples without SFs show an enhancement of 1.1 times and 0.9 times, those with 1% SFs exhibit an increase of 0.7 times and 0.5 times, and those with 2% SFs demonstrate an improvement of 0.3 times and 0.4 times, respectively. Furthermore, the incorporation of ATFWs enables the physical embedding and sequestration of organic components released from SFs in a matrix without local aggregation. Therefore, recycling ATFWs as an alkaline activator is deemed feasible to produce SF-reinforced SP-based composites. The research outcomes offer an innovative approach for whole-waste utilization in the realm of natural fiber-reinforced composites.
•Recycling alkali-treated fiber wastewaters (ATFWs) in sisal fiber-reinforced composites shows a sustainable approach.•ATFWs reduce density while enhancing long-term flexural and compressive strengths in the composites.•ATFWs enable physical embedding of organic components in a matrix, avoiding local aggregation.•Organic components in ATFWs undergo biodegradation in an alkaline matrix with increasing curing age.
Palladium‐catalyzed asymmetric 4+5 annulation of ortho‐quinone methides (o‐QMs) with substituted vinylethylene carbonates (VECs) is described for the first time, giving a novel enantioselective ...approach to chiral nine‐membered benzoheterocycles. Based on this designed 4+5 annulation, an unprecedented silica gel‐promoted tandem rearrangement reaction featuring a unique asymmetric aromatic Claisen rearrangement is explored at room temperature, offering a new method for asymmetric construction of all‐carbon quaternary stereocenters embedded in chiral functionalized homoallylic alcohols.
Asymmetric annulation: With the development of a novel Pd‐catalyzed asymmetric 4+5 annulation of ortho‐quinone methides (o‐QMs) with vinylethylene carbonates (VECs), an unprecedented tandem rearrangement reaction featuring a unique asymmetric aromatic Claisen rearrangement is described. This study enables not only enantioselective access to chiral medium‐sized benzoheterocycles, but also gives a new asymmetric method for constructing all‐carbon quaternary stereocenters contained in chiral functionalized homoallylic alcohols.
It′s just a phase: The title reaction sequence of para‐quinone methides (p‐QMs) has been developed with malonates under phase‐transfer catalysis. The reaction also offers an alternative route to ...asymmetric construction of diarylmethine stereocenters in excellent enantioselectivities and high yields.
We presented an effective and universal strategy for the improvement of luminophore's solid-state emission, i.e., macrocyclization-induced emission enhancement (MIEE), by linking luminophores through ...C(sp
) bridges to give a macrocycle. Benzothiadiazole-based macrocycle (BT-LC) has been synthesized by a one-step condensation of the monomer 4,7-bis(2,4-dimethoxyphenyl)-2,1,3-benzothiadiazole (BT-M) with paraformaldehyde, catalyzed by Lewis acid. In comparison with the monomer, macrocycle BT-LC produces much more intense fluorescence in the solid state (Φ
= 99%) and exhibits better device performance in the application of OLEDs. Single-crystal analysis and theoretical simulations reveal that the monomer can return to the ground state through a minimum energy crossing point (MECP
), resulting in the decrease of fluorescence efficiency. For the macrocycle, its inherent structural rigidity prohibits this non-radiative relaxation process and promotes the radiative relaxation, therefore emitting intense fluorescence. More significantly, MIEE strategy has good universality that several macrocycles with different luminophores also display emission improvement.
Vascular calcification is highly prevalent in patients with type 2 diabetes mellitus (T2DM), one of the most common chronic diseases with high morbidity and mortality. In recent years, microRNAs have ...been widely reported as potential biomarkers for the diagnosis and treatment of T2DM. We hypothesized that miR‐128‐3p is associated with cardiovascular calcification and insulin resistance (IR) in rats with T2DM by targeting ISL1 via the Wnt pathway. Microarray analysis was adopted to identify differentially expressed genes related to T2DM. T2DM models were induced in rats. Blood samples from normal and T2DM rats were used to detect islet β‐cell function, islet sensitivity, and calcium content. Next, islet tissues were obtained to identify the expression of miR‐128‐3p, ISL1, and the Wnt signaling pathway‐ and apoptosis‐related genes. Finally, apoptosis of islet β‐cells was determined by flow cytometry. Through microarray analysis of GSE27382 and GSE23343, ISL1 was found to be downregulated in T2DM. In blood samples from T2DM rats, basic biochemical indicators, IR, and calcium content were increased, and islet sensitivity and islet β‐cell function were decreased. Furthermore, upregulation of miR‐128‐3p and ISL1 gene silencing promoted the expression of Wnt‐1, β‐catenin, GSK‐3β, and Bax and the phosphorylation of β‐catenin and GSK‐3β, inhibited c‐fos, PDX‐1, and Bcl‐2 expression, and enhanced cell apoptosis. The key findings of our study demonstrate that miR‐128‐3p aggravates cardiovascular calcification and IR in T2DM rats by downregulating ISL1 through the activation of the Wnt pathway. Thus, miR‐128‐3p may serve as a potential target for the treatment of T2DM.
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•Strategy of MA-SILD-MDSPE-UHPLC-MS/MS was developed for determining triptolide.•A pair of SILD reagents d0-/d3-MCR6G was used for the labeling of triptolide.•MMIPs were prepared as ...adsorbents of MDSPE for selective extraction of triptolide.•The validated method was successfully applied to a comparative pharmacokinetics.
Triptolide, a major active ingredient of Tripterygium wilfordii Hook F, provides anti-inflammatory and neuroprotective activities. In this study, a microwave-assisted stable isotope labeling derivatization-magnetic dispersive solid phase extraction (MA-SILD-MDSPE) combined with ultra-high-performance liquid chromatography tandem mass spectrometry (UHPLC-MS/MS) method has been developed for the determination of the triptolide in rat microdialysates. A pair of SILD reagents (d0-/d3-3-N-methyl-2’-carboxyl Rhodamine 6G, d0-/d3-MCR6G) were used to label triptolide in real samples and standards under mild conditions. The introduction of SILD reagents enhanced the sensitivity of MS/MS detection and ensured accurate quantification. A novel molecularly imprinted polymer coating with d0-MCR6G labeled triptolide as template was firstly synthesized by precipitation polymerization method, and used to selectively extract the labeled triptolides from complex matrices. The purified d0-/d3-MCR6G-triptolides were determined by UHPLC-MS/MS analysis. Using the proposed method, a good linearity (R2>0.995), low limits of detection (LOD, 0.45–0.50 pg/mL) and quantification (LOQ, 3.0 pg/mL) were achieved. The intra- and inter-day precision and accuracy were within the acceptable ranges. No significant matrix effect was observed. The derivatization efficiency was more than 96 %. The validated method was successfully applied to a comparative pharmacokinetic study of triptolide synchronously in brain and blood of normal and Alzheimer’s disease rats by in vivo microdialysis sampling technique.
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![Asymmetric Catalytic [4+5] ...](http://api.summon.serialssolutions.com/2.0.0/image/issn/XR4PS5YY4K/0947-6539/small "Asymmetric Catalytic [4+5] Annulation of ortho‐Quinone Methides with Vinylethylene Carbonates and its Extension to Stereoselective Tandem Rearrangement")
