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[Display omitted] Anti-tumor therapies reliant on reactive oxygen species (ROS) as primary therapeutic agents face challenges due to a limited oxygen substrate. Photodynamic therapy (PDT) is particularly hindered by inherent hypoxia, while chemodynamic therapy (CDT) encounters obstacles from insufficient endogenous hydrogen peroxide (H 2 O 2) levels. In this study, we engineered biodegradable tumor microenvironment (TME)-activated hollow mesoporous MnO 2 -based nanotheranostic agents, designated as HAMnO 2 A. This construct entails loading artemisinin (ART) into the cavity and surface modification with a mussel-inspired polymer ligand, namely hyaluronic acid-linked poly(ethylene glycol)-diethylenetriamine-conjugated (3,4-dihydroxyphenyl) acetic acid, and the photosensitizer Chlorin e6 (mPEG-HA-Dien-(Dhpa/Ce6)), facilitating dual-modal imaging-guided PDT/CDT synergistic therapy. In vitro experimentation revealed that HAMnO 2 A exhibited ideal physiological stability and enhanced cellular uptake capability via CD44-mediated endocytosis. Additionally, it was demonstrated that accelerated endo -lysosomal escape through the pH-dependent protonation of Dien. Within the acidic and highly glutathione (GSH)-rich TME, the active component of HAMnO 2 A, MnO 2 , underwent decomposition, liberating oxygen and releasing both Mn2+ and ART. This process alleviates hypoxia within the tumor region and initiates a Fenton-like reaction through the combination of ART and Mn2+, thereby enhancing the effectiveness of PDT and CDT by generating increased singlet oxygen (1O 2) and hydroxyl radicals (•OH). Moreover, the presence of Mn2+ ions enabled the activation of T 1 -weighted magnetic resonance imaging. In vivo findings further validated that HAMnO 2 A displayed meaningful tumor-targeting capabilities, prolonged circulation time in the bloodstream, and outstanding efficacy in restraining tumor growth while inducing minimal damage to normal tissues. Hence, this nanoplatform serves as an efficient all-in-one solution by facilitating the integration of multiple functions, ultimately enhancing the effectiveness of tumor theranostics. [ABSTRACT FROM AUTHOR]

The contaminant status, spatial distribution, partitioning behavior, and ecological risks of 26 legacy and emerging perfluoroalkyl and polyfluoroalkyl substances (PFASs) in Laizhou Bay, China were investigated. The concentrations of ∑PFASs in surface and bottom seawater ranged from 37.2 to 222 ng/L and from 34.2 to 305 ng/L with an average of 116 ± 62.7 and 138 ± 93.8 ng/L, respectively. There were no significant differences in the average concentrations between the surface and bottom seawater (P > 0.05). Perfluorooctanoic acid (PFOA) and short-chain PFASs dominated the composition of PFASs in seawater. The concentrations of ∑PFASs in sediments ranged from 0.997 to 7.21 ng/g dry weight (dw), dominated by perfluorobutane sulfonate (PFBS), perfluorobutanoic acid (PFBA), and long-chain PFASs. The emerging alternatives of perfluoro-1-butane-sulfonamide (FBSA) and 6:2 fluorotelomer sulfonic acid (6:2 FTSA) were detected for the first time in Laizhou Bay. The ∑PFASs in seawater in the southwest of the bay were higher than those in the northeast of the bay. The ∑PFASs in sediments in the northeast sea area were higher than those in the inner area of the bay. Log K d and log K oc values increased with increasing carbon chain length for PFASs compounds. Ecological risk assessments indicated a low ecological risk associated with HFPO-DA but a moderate risk associated with PFOA contamination in Laizhou Bay. Positive matrix factorization (PMF) analysis revealed that fluoropolymer manufacturing, metal plating plants, and textile treatments were identified as major sources contributing to PFASs contamination. [Display omitted] • Widespread contamination of PFASs occurred in Laizhou Bay. • PFOA was the major contaminant in the environmental samples of Laizhou Bay. • HFPO-DA and FBSA as emerging alternatives were detected in all water samples. • FBSA and 6:2 FTSA were detected for the first time in Laizhou Bay. • The carbon chain length affected the distribution of PFASs in water and sediment. [ABSTRACT FROM AUTHOR]

Three morphologies of ZnO [spherical (S), rod (R) and disk (D)] were synthesized and tested as supports for Au nanoparticles for the selective oxidation of glycerol, 1,2-propanediol, 1,2-butanediol, and isopropanol at their secondary hydroxyl group to produce the corresponding ketones. The Au-ZnO(0 0 1) interface exhibits a strong electron sink effect and abundant oxygen vacancies, greatly promoting the adsorption of O 2 and the adsorption and conversion of polyols at their secondary hydroxyl moiety. Moreover, the as-formed Auδ+-OH* site resulting from O 2 activation can efficiently extract the hydrogen of the C-H bond of the key RCHO*CH 2 OH intermediate on the Zn-O v site of ZnO(0 0 1) surfaces. Therefore, the Au/ZnO-D exhibits superior catalytic activity (turnover frequency >500h−1) and ketone selectivity (>80 %) than other catalysts with different ZnO facets exposed. [Display omitted] • Three morphologies of ZnO [spherical (S), rod (R) and disk (D)] were synthesized to support Au nanoparticles. • Au/ZnO-D exhibits superior catalytic activity and ketone selectivity. • Au-ZnO(0 0 1) interface exhibits a strong electron sink effect and abundant oxygen vacancies. • Auδ+-OH* site can efficiently extract the hydrogen of the C-H bond of the key RCHO*CH 2 OH intermediate. In-depth understanding and precise tuning of the crystal facet-dependent catalytic properties of supported catalysts are critical for polyol oxidation. Herein, we report a crystal-facet-dependent study of Au-ZnO interfaces for the selective promotion of the oxidation of various polyols and alcohols (glycerol, 1,2-propanediol, 1,2-butanediol, and isopropanol) at the secondary hydroxyl position to produce the corresponding ketones. Three facets of the zinc oxide support, ZnO(1 0 1), ZnO(1 0 0) and ZnO(0 0 1), associated with nanoparticles of various morphologies (spherical (S), rod (R) and disk (D), respectively), were found to induce different electronic local environments and surface oxygen vacancy contents at the Au-ZnO interface. In particular, the ZnO(0 0 1) facet dominating in the Au/ZnO-D nanoparticles can store more electrons from Au, and such electron sink effect, together with the generation of oxygen vacancies (Zn-O v), synergistically enhances the adsorption of O 2 and polyols at the secondary hydroxyl position. Moreover, it was determined that the as-formed Auδ+-OH* site resulting from O 2 activation can efficiently extract the hydrogen of the C-H bond of the key RCHO*CH 2 OH intermediate on the Zn-O v site of ZnO(0 0 1) surfaces. Consequently, the Au/ZnO-D catalyst exhibits unprecedented catalytic activity (turnover frequency >500 h−1) and ketone selectivity (>80 %) for glycerol oxidation. [ABSTRACT FROM AUTHOR]

Iodinated contrast media (ICM), one of the pharmaceutical and personal care products (PPCPs), are frequently detected in various water bodies due to the strong biochemical stability and recalcitrance to conventional water treatment. Additionally, ICM pose a risk of forming iodinated by-products that can be detrimental to the aquatic ecosystem. Consequently, effectively removing ICM from aqueous environments is a significant concern for environmental researchers. This article provides a comprehensive review of the structural characteristics of ICM, their primary source (e.g., domestic and hospital wastewater), detected concentrations in water environments, and ecological health hazards associated with them. The current wastewater treatment technologies for ICM control are also reviewed in detail with the aim of providing a reference for future research. Prior researches have demonstrated that traditional treatment processes (such as physical adsorption, biochemical method and chemical oxidation method) have inadequate efficiencies in the removal of ICM. Currently, the application of advanced oxidation processes to remove ICM has become extensive, but there are some issues like poor deiodination efficiency and the risk of forming toxic intermediates or iodinated by-products. Conversely, reduction technologies have a high deiodination rate, enabling the targeted removal of ICM. But the subsequent treatment issues related to iodine (such as I− and OI−) are often underestimated, potentially generating iodinated by-products during the subsequent treatment processes. Hence, we proposed using combined reduction-oxidation technologies to remove ICM and achieved synchronous control of iodinated by-products. In the future, it is recommended to study the degradation efficiency of ICM and the control efficiency of iodinated by-products by combining different reduction and oxidation processes. [Display omitted] • Overview of ICM environmental pollution and fate. • Poor deiodination efficiency of ICM and the generation of iodinated by-products in AOPs. • High deiodination rate in reduction methods but removed iodide poses potential risk. • Combine reduction and oxidation processes to remove ICM and control I-DBPs. [ABSTRACT FROM AUTHOR]

A Ni 1 Co 1 O x catalyst with lattice distortions was prepared by a modified hard template method. Elemental analysis shows that Ni tends predominantly to disperse on the surfaces of the nanoparticles. Under the optimum reaction conditions (80 °C, 20 h, and 1.5 g NaOH), Ni 1 Co 1 O x catalyst could exhibit optimum catalytic performance (78.5% conversion, 66.5% GLYA selectivity, and recycling for four times). • A lattice-distorted Ni 1 Co 1 O x catalyst was synthesized by a modified hard template method. • High selectivity toward glyceric acid was obtained on the Ni 1 Co 1 O x catalyst. • Electron transfer from Ni cations to Co cations results in the generation of surface oxygen vacancies. • The oxygen vacancies of Co and Ni species promote the oxidation of glycerol to glyceric acid. Developing cheap and highly efficient catalysts for the selective oxidation of glycerol to value-added carboxylic acids still remains a challenge. Here, non-noble-metal Ni–Co oxide catalysts with lattice distortions are reported for the first time as highly efficient and stable catalysts for the oxidation of glycerol to glyceric acid. The Ni 1 Co 1 O x catalyst, prepared by a modified hard template method, exhibits superior activity (1.5 × 10−3 s−1), excellent glyceric acid selectivity (66.5%), and good stability under mild conditions (80 °C, 1 MPa O 2). Multiple characterizations demonstrated that the nanosized Ni 1 Co 1 O x catalyst (2.3 nm) contains lattice distortion Ni–Co structures with nickel-rich surfaces. This morphology induces electron transfer from Co cations (mainly Co3+) to Ni cations (mainly Ni3+), resulting in the generation of surface oxygen vacancies. Density functional theory calculations and catalytic kinetics demonstrated that oxygen vacancies on Co species could improve glyceric acid selectivity by preventing the cleavage of C C bond, and oxygen vacancies on the Ni species could promote the activation of C H bonds, which results in the exceptional catalytic performance of Ni 1 Co 1 O x. The novel Ni–Co oxide catalyst with lattice distortions synthesized here may provide some guidance for the rational design of inexpensive and highly efficient catalysts for the catalytic oxidation of biopolyols. [ABSTRACT FROM AUTHOR]

The objective of this study was to investigate effects of soy protein isolate (SPI), egg white protein (EW) and whey protein isolate (WPI) on flavor characteristics of silver carp surimi. A total 72 volatile odor compounds (VOCs) were identified in surimi gels with non-muscle proteins (NMPs). SPI had significant effects on the VOCs with low thresholds in surimi gels, while EW had relatively lower effect. They all reduced undesirable VOCs, such as nonanal, 1-octen-3-ol. Three proteins reduced fatty acids (FAs) in surimi, while most free amino acids (FAAs) were reduced in surimi with SPI or EW. Most of the VOCs had higher positive correlation with FAAs in surimi with SPI or WPI, but negative correlation with EW. FAs of surimi with SPI were higher than those with EW or WPI, while a few of VOCs (1-octen-3-ol, hexanal and nonanal) had higher correlation with FAs. Three proteins reduced protein and lipid oxidations in surimi gels, while WPI more reduced protein and lipid oxidations. FAAs were main causes of VOC changes in surimi gels with NMPs. Results suggested NMPs could modify the flavor of surimi gels and cover up the fishy odor and 2% or 4% was the appropriate addition of NMPs. • Most of the VOCs showed positive correlations with non-muscle proteins addition. • SPI had stronger effect on the VOCs of surimi gels than EW or WPI. • The VOCs had higher positive correlations with FAAs in surimi with SPI or WPI. • A few of VOCs in surimi had correlations with the fatty acids. • Non-muscle proteins reduced protein and lipid oxidations in surimi gels. [ABSTRACT FROM AUTHOR]

Graphical abstract In-situ coating of SBA-15 with MgO was synthesized in one-step procedure to form the mesoporous solid bases. Then, the Pt nanoparticles were loaded by NaBH 4 reduction method. Subsequently, the Pt/MgO-SBA-15 catalyst was applied to the selective oxidation of glycerol to obtain C 3 products. Highlights • Novel hybrid Pt/MgO/SBA-15 catalysts were prepared. • The Pt nanoparticles was restricted in the channel of MgO/SBA-15. • The synergistic effect between Pt and MgO enhanced glycerol oxidation activity. • Oxygen active sites of MgO promoted the dehydrogenation reaction. Abstract Enhanced metal-support interaction is the key for selective oxidation of glycerol to value-added carboxylic acids. However, the rational control of interfacial properties still remains a significant challenge. In this work, we prepared hybrid Pt/MgO/SBA-15 catalysts for the facile oxidation of glycerol to glyceric acid in the absence of liquid alkalis. It was found that the confinement effect of SBA-15 leads to restricted Pt nanoparticles in the MgO/SBA-15 channel with a unique "strip" shape. Such a morphology and the strong electron coupling effect between Pt and MgO species synergistically enhanced glycerol oxidation over Pt-MgO sites. A volcanic-shaped relationship between Mg/Si ratio and catalytic performance was established experimentally, and the Pt/MgO/SBA-15 (0.1) catalyst showed excellent combined selectivity for C 3 products (glyceric acid, glyceraldehyde and dihydroxyacetone) with a remarkable turn over frequency (TOF) of 1671.2 h−1 higher than the reported catalysts under base-free conditions. Furthermore, density functional theory (DFT) calculations confirmed that the oxidation reaction could be promoted by oxygen defects of MgO sites, resulting in a reduction of the energy barriers for C H and O H activation. These insights may provide a new way to the supported solid base catalyst design and mechanistic study. [ABSTRACT FROM AUTHOR]

miRNAs are key cellular regulators and their dysregulation is associated with many human diseases. They are usually produced locally in a spatiotemporally controlled manner to target mRNAs and regulate gene expression. Thus, developing chemical tools for manipulating miRNA with spatiotemporal precise is critical for studying miRNA. Herein, we designed a strategy to control miRNA biogenesis with light controllable inhibitor targeting the pre-miRNA processing by Dicer. By conjugating two non-inhibiting units, a low affinity Dicer inhibitor and a pre-miRNA binder, through a photocleavable linker, the bifunctional molecule obtained could inhibit miRNA production. Taking advantage of the photocleavable property of the linker, the bifunctional inhibitor can be fragmented into separate non-inhibiting units and therefore be deactivated by light. We expect that this strategy could be applied to generate chemical biological tools that allow light-mediated spatiotemporal control of miRNA maturation and contribute to the study of miRNA function. [ABSTRACT FROM AUTHOR]

In this study, nonlinear analysis on dynamic responses of a sliding fluid conveying pipe with length time-varying is performed in detail. An extended Hamilton’s principle is utilized to derive the nonlinear governing equation of motion for the pipe system. Subsequently, effects of flow velocity, sliding rate and two key parameters, e.g. mass ratio and gravity, on dynamic behavior of the pipe are elaborately addressed. The obtained results indicate that the dynamics and stabilities of the pipe system are quite sensitive to the flow velocity, which is dependent on different values of the sliding rate. As the flow velocity is beyond the critical value, flutter occurs and this flutter amplitude of pipe changes with time going on. In addition, it is shown that the pipe becomes easier to lose stability with the increase of the sliding rate, while increasing the mass ratio and gravity of the pipe can enhance its stability. [ABSTRACT FROM AUTHOR]

Dipyridyl sulphide ligands 4-(pyridin-4-ylmethylthio)pyridine (abbreviated as L1) and 3-(pyridin-4-ylmethylthio)pyridine (abbreviated as L2) have been designed and used as μ- N , N -bridging linkages to construct coordination polymers with free –S–CH 2 – groups as secondary donor sites. By use solvent control method, coordination polymers {[Ag 3 SO 4 (L1) 3 ](Cl)·4.5H 2 O} ∞ ( 1 ), {[Ag 2 SO 4 (L1) 2 ]·6H 2 O·2CH 3 OH} ∞ ( 2 ), {[Ag 2 SO 4 (L2) 2 ]·H 2 O} ∞ ( 3 ) and {[Ag 4 (SO 4 ) 2 (L2) 4 ]·5H 2 O} ∞ ( 4 ) with different architectures were obtained. Complexes 1 , 3 and 4 feature 1D channel with different sizes and structures. Complex 1 exhibits guest exchange by THF and 1,4-dioxane, and Hg 2+ sorption ability from solution due to its relative larger channel and available bonding sites of –S– exposed to the channel region. All complexes have been characterized through single-crystal and powder X-ray diffraction (PXRD), FT-IR spectra, X-ray photoelectron spectroscopy (XPS), elemental and thermogravimetric analyses. The guest exchange and Hg 2+ sorption were monitored and identified, and the structure-property relationship of coordination polymers 1–4 are discussed. [ABSTRACT FROM AUTHOR]

Moderate WO x surface density of Ni/WO x -ZrO 2 with higher Brønsted/Lewis acid sites ratio enhances LDPE hydrocracking and obtains the maximum liquid yield. [Display omitted] • The non-noble Ni catalysts achieves the LDPE hydrocracking process under a mild condition. • The Ni/WO x -Zr catalysts achieves 100 % LDPE conversion with 76.9 % liquid yield. • The WO x surface density shows a volcanic-shape relationship with the B/L ratio of catalyst. • The LDPE hydrocracking performance has a linear relationship with the B/L ratio of catalyst. Chemical upcycling through catalytic hydrocracking to fuels has potential to mitigate the serious environmental issues caused by plastic waste. Herein, non-noble tungstate-zirconia supported nickel catalyst (Ni/WO x -ZrO 2) with tunable Brønsted/Lewis (B/L) ratio was firstly proposed for the hydrocracking of low-density polyethylene (LDPE), which achieves hydrogenation/dehydrogenation on Ni sites and cracking/isomerization on WO x -ZrO 2 , respectively. Excellent 100 % LDPE conversion with 76.9 % liquid yield was achieved, which is comparable to noble Ru-based and Pt-based catalysts. Quantitative linear relationship between B/L ratio and hydrocracking performance was established, and the key to boost performance was keenly controlling the volcanic-shape relationship between surface WO x density and B/L ratio of catalyst. Moderate WO x surface density with higher B/L ratio enhances LDPE hydrocracking, and inhibits the hydrogenation of the primary products. However, excessive WO x polymerized and formed WO 3 crystals, compensating acid sites and inhibiting LDPE hydrocracking. This work is of prime scientific and industrial significance to the rational design of catalysts for industrial plastic hydrocracking. [ABSTRACT FROM AUTHOR]

We construct defective Auδ−-O v interfacial structures by tuning the calcination temperature of ZrO 2 support to boost the oxidation of amino alcohols to amino acids. Finally, the Au/ZrO 2 -600 catalyst with rich defective Auδ−-O v interfacial sites exhibits 98.8% product yield for the oxidation of diethanolamine to iminodiacetic acid at only 30 °C. The catalyst system is further extended to the oxidation of other amino alcohols, involving monoethanolamine and triethanolamine, to their corresponding amino acids with excellent catalytic performance. [Display omitted] • Defective Au-ZrO 2 interfacial structure was constructed by tuning the calcination temperature of ZrO 2 support. • The Auδ−-O v interfacial site displays the unique synergistic adsorption effect and electron transfer ability. • O v site prioritizes the adsorption of amino groups in amino alcohols, avoiding the occupation of Auδ− main sites. • Electron-rich Auδ− nearby O v site adsorbs the hydroxyl groups and activates the C-H bond activation of NH 2 CH 2 CH 2 O* intermediates. Designing efficient active sites to facilitate the oxidation of hydroxyl group to carboxylic acid under the influence of nitrogen-containing functional groups is worth exploring, but it is rarely investigated. Herein, we construct defective Au-ZrO 2 interfacial structures by tuning the calcination temperature of ZrO 2 support to boost the oxidation of amino alcohols to amino acids. Interestingly, the modification of calcination temperature induces the escape of saturated coordination oxygen atoms in ZrO 2 support, leaving behind abundant surface oxygen vacancy (O v). The as-formed Auδ−-O v interfacial site displays the unique synergistic adsorption effect and electron transfer ability. Specifically, the O v site voluntarily adsorbs the –NH 2 group of amino alcohol, thus ensuring that the electron-rich Auδ− nearby O v site adsorbs the hydroxyl groups and activates the C-H bond activation of NH 2 CH 2 CH 2 O* intermediates. Consequently, Au/ZrO 2 -600 catalyst with more defective Auδ−-O v interfacial sites exhibits 98.8 % product yield for the oxidation of diethanolamine to iminodiacetic acid at only 30 °C. The catalyst system is further extended to the oxidation of other amino alcohols, involving monoethanolamine and triethanolamine, to their corresponding amino acids with excellent catalytic performance. [ABSTRACT FROM AUTHOR]

Alzheimer's disease (AD) is a progressive and irreversible brain degenerative disorder. Mild cognitive impairment (MCI) is a clinical precursor of AD. Although some treatments can delay its progression, no effective cures are available for AD. Accurate early-stage diagnosis of AD is vital for the prevention and intervention of the disease progression. Hippocampus is one of the first affected brain regions in AD. To help AD diagnosis, the shape and volume of the hippocampus are often measured using structural magnetic resonance imaging (MRI). However, these features encode limited information and may suffer from segmentation errors. Additionally, the extraction of these features is independent of the classification model, which could result in sub-optimal performance. In this study, we propose a multi-model deep learning framework based on convolutional neural network (CNN) for joint automatic hippocampal segmentation and AD classification using structural MRI data. Firstly, a multi-task deep CNN model is constructed for jointly learning hippocampal segmentation and disease classification. Then, we construct a 3D Densely Connected Convolutional Networks (3D DenseNet) to learn features of the 3D patches extracted based on the hippocampal segmentation results for the classification task. Finally, the learned features from the multi-task CNN and DenseNet models are combined to classify disease status. Our method is evaluated on the baseline T1-weighted structural MRI data collected from 97 AD, 233 MCI, 119 Normal Control (NC) subjects in the Alzheimer's Disease Neuroimaging Initiative (ADNI) database. The proposed method achieves a dice similarity coefficient of 87.0% for hippocampal segmentation. In addition, the proposed method achieves an accuracy of 88.9% and an AUC (area under the ROC curve) of 92.5% for classifying AD vs. NC subjects, and an accuracy of 76.2% and an AUC of 77.5% for classifying MCI vs. NC subjects. Our empirical study also demonstrates that the proposed multi-model method outperforms the single-model methods and several other competing methods. [ABSTRACT FROM AUTHOR]

Metabolism generally transforms xenobiotics into more polar and hydrophilic products, facilitating their elimination from the body. Recently, a new metabolic pathway that transforms phenolic xenobiotics into more lipophilic and bioactive dimer products was discovered. To elucidate the role of cytochrome P450 (CYP) enzymes in mediating this cross-coupling metabolism, we used high-throughput screening to identify the metabolites generated from the coupling of 20 xenobiotics with four endogenous metabolites in liver microsomes. Endogenous vitamin E (VE) was the most reactive metabolite, as VE reacted with seven phenolic xenobiotics containing various structures (e.g., an imidazoline ring or a diphenol group) to generate novel lipophilic ethers such as bakuchiol- O -VE, phentolamine- O -VE, phenylethyl resorcinol- O -VE, 2-propanol- O -VE, and resveratrol- O -VE. Seven recombinant CYP enzymes were successfully expressed and purified in Escherichia coli. Integration of the results of recombinant human CYP incubation and molecular docking identified the central role of CYP3A4 in the cross-coupling metabolic pathway. Structural analysis revealed the π–π interactions, hydrogen bonds, and hydrophobic interactions between reactive xenobiotics and VE in the malleable active sites of CYP3A4. The consistency between the molecular docking results and the in vitro human cytochrome P450 evaluation shows that docking calculations can be used to screen molecules participating in cross-coupling metabolism. The results of this study provide supporting evidence for the overlooked toxicological effects induced by direct reactions between xenobiotics and endogenous metabolites during metabolic processes. • Seven dimer products generated by cross-coupling metabolism were identified. • The central role of CYP3A4 in the cross-coupling metabolism was demonstrated. • Xenobiotics and vitamin E interacted in the malleable active sites of CYP3A4. • Molecular docking help to predict molecules participating in coupling metabolism. [ABSTRACT FROM AUTHOR]

Five purine analogues and four thiazole analogues were designed and synthesized. Their enzymatic activity against PI3Ka/β/γ/δ were tested, respectively. All compounds showed excellent selective in modulating PI3Ka activity, and parts of the compounds showed good inhibition. Meanwhile, we also used Autodock 4.2 to exploring the binding mode of the most potential compound Tg and protein. In addition, DFT was used to research the HOMO-LUMO maps of the compounds Tf, Tg and positive control. • Five purine analogues and four thiazole analogues were first synthesized and evaluated against for PI3Ka/β/γ/δ kinases. • We discovered one potential compound with good activity and high selectivity. • HOMO-LUMO showed thiazole ring and amide group play a leading role of the biological activity. PI3Kα has been identified as an ideal target to treat with PIK3CA gene mutation disease, including drugs such as Alpelisib and Copanlisib. Five purine analogues and four thiazole analogues were designed and synthesized. Their enzymatic activity against PI3Ka/β/γ/δ were tested, respectively. All compounds showed excellent selectivity in modulating PI3Ka activity, and parts of the compounds showed good inhibition. Meanwhile, we used Autodock 4.2 to explore the binding mode of the most potential compound Tg with the target protein. In addition, DFT was used to calculate the HOMO-LUMO maps of the compounds Tf, Tg and positive control. This paper will provide some useful information for further drug design of PI3Kα inhibitors. [ABSTRACT FROM AUTHOR]