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Introduction: MicroRNAs (miRNAs) are small and non-coding RNA molecules which have multiple important regulatory roles within cells. With the deepening research on miRNAs, more and more researches show that the abnormal expression of miRNAs is closely related to various diseases. The relationship between miRNAs and diseases is crucial for discovering the pathogenesis of diseases and exploring new treatment methods. Methods: Therefore, we propose a new sparse autoencoder and MLP method (SPALP) to predict the association between miRNAs and diseases. In this study, we adopt advanced deep learning technologies, including sparse autoencoder and multi-layer perceptron (MLP), to improve the accuracy of predicting miRNA-disease associations. Firstly, the SPALP model uses a sparse autoencoder to perform feature learning and extract the initial features of miRNAs and diseases separately, obtaining the latent features of miRNAs and diseases. Then, the latent features combine miRNAs functional similarity data with diseases semantic similarity data to construct comprehensive miRNAs-diseases datasets. Subsequently, the MLP model can predict the unknown association among miRNAs and diseases. Result: To verify the performance of our model, we set up several comparative experiments. The experimental results show that, compared with traditional methods and other deep learning prediction methods, our method has significantly improved the accuracy of predicting miRNAs-disease associations, with 94.61% accuracy and 0.9859 AUC value. Finally, we conducted case study of SPALP model. We predicted the top 30 miRNAs that might be related to Lupus Erythematosus, Ecute Myeloid Leukemia, Cardiovascular, Stroke, Diabetes Mellitus five elderly diseases and validated that 27, 29, 29, 30, and 30 of the top 30 are indeed associated. Discussion: The SPALP approach introduced in this study is adept at forecasting the links between miRNAs and diseases, addressing the complexities of analyzing extensive bioinformatics datasets and enriching the comprehension contribution to disease progression of miRNAs.
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We herein present a nickel-catalyzed cross-coupling reaction of aryl halides and nitriles with imidazolium salts. A series of 2-arylated imidazoles could be obtained in moderate to good yields through inert C-N bond cleavage. The imidazolium salt in this reaction acts as both a coupling partner and N-heterocyclic carbene (NHC) ligand precursor. Mechanistic studies reveal that consecutive steps of migratory insertion of the NHC into the aryl C-Ni bond and ß-C elimination might be involved in the proposed reaction mechanism.
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In this work, we wish to present a nickel-catalyzed divergent ring-contraction and ring-opening/isomerization reaction of tert-cyclobutanols. The key to control these two different reaction pathways is to choose appropriate boronic acid, where the use of phenylboronic acid and pyrimidin-5-ylboronic acid enables a ring-contraction and ring-opening reaction/isomerization, respectively. Both cyclopropyl aryl methanones and 1-aryl butan-1-ones could be selectively obtained.
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Herein, we describe a nickel-catalyzed divergent formylation and carboxylation reaction of aryl halides with isocyanides. A rich array of aromatic aldehydes and carboxylic acids can be, respectively, accessed in moderate to good yields. Some sensitive functional groups such as hydroxyl, iodine, cyano, and indolyl are fairly tolerant of nickel catalysis. In the carboxylation reactions, the combination of isocyanide and H2O is first employed as a promising carbonyl surrogate instead of gaseous CO and CO2.
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This paper investigates the fractional and spatial distribution characteristics of potentially toxic elements (PTEs) in smoke particles and residual ashes from mine-park-biomass combustion. It then evaluates the consequential potential environment risk by using a Geo-accumulation index and Nemerow pollution index methods. Biomass combustibles are comprised of Camphor leaves (CL), Camphor dead-branch (CB), Ramie (RA), Miscanthus sinensis (MS), and Dryopteris (DR). The results show that the products of combustion contain PTEs, As, Cr, Cu, and Zn, etc. Among them, the content of As, Cr, Cu, Pb elements in smoke particles of CB was higher than other combustibles. Moreover, Cr, Mn, Ni, and Pb in residual ashes of CL were higher than others. The proportion of acid-soluble and reducible fraction of As in residual ash was higher, while Cr existed mainly in the oxidizable and residual fraction. Besides, the available state of As gradually decreased from 74% (400 °C) to 41% (800 °C), indicating that the increase of temperature significantly reduced the bioavailability of As. Meanwhile, with the increase of temperature, the concentration of PTEs in smoke particles decreased and PTEs in residual ashes increased in different degrees. The risk evaluation results indicate that PTEs may cause moderate or higher levels of contamination. The overall contamination level of PTEs in the residual ashes of CB was higher than that of other plant. The results show in this study would contribute to understanding the environmental risks of wildfire and prescribed burning in PTEs-contaminated areas.
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Metales Pesados , Metales Pesados/análisis , Humo , Biomasa , Alcanfor , Plomo , Monitoreo del Ambiente/métodosRESUMEN
We herein describe a nickel-catalyzed cascade hydrosilylation/cyclization reaction of 1,7-enynes with bulky triphenylsilane. A series of silyl-containing quinolinone derivatives are obtained in good to excellent yields under mild reaction conditions. This reaction also features excellent chemoselectivity, broad functional group tolerance, and gram-scale synthesis.
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We report here a regiospecific [3 + 2] annulation between aminocyclopropanes and various functionalized alkynes enabled by a P/N-heteroleptic Cu(I) photosensitizer under photoredox catalysis conditions. Thus, a divergent construction of 3-aminocyclopentene derivatives including methylsulfonyl-, arylsulfonyl-, chloro-, ester-, and trifluoromethyl-functionalized aminocyclopentenes could be achieved with advantages of high regioselectivity, broad substrate compatibility, and mild and environmentally benign reaction conditions.
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Alquinos , Fármacos Fotosensibilizantes , CatálisisRESUMEN
We herein describe a nickel-catalyzed cyanation reaction of aryl/alkenyl halides with alkyl isocyanides. Both aryl/alkenyl iodines and bromides were found to be competent electrophiles that reacted with alkyl isocyanides, affording nitrile compounds in moderate to good yields. A range of functional groups including halogens as well as hydroxyl, formyl, and acetamino groups were fairly compatible with the nickel catalysis. This protocol featured broad functional group tolerance, simple reaction conditions, and gram-scale synthesis.
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Cianuros , Níquel , Bromuros , Estructura Molecular , Halógenos , Catálisis , NitrilosRESUMEN
Herein, we describe an N-heterocyclic carbene (NHC)-catalyzed deconstructive isomerization of azetidinols via an inert C-C bond cleavage. It provides a direct and supplementary pathway to access α-amino ketone and oxazol-2-one derivatives in moderate to good yields. DFT calculation supports the proposed mechanism in which NHC undergoes a concerted proton transfer and ring-opening process. This reaction features non-metal catalysis, simple reaction operation, excellent regioselectivity and gram-scale synthesis.
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The reactivity umpolung of the CâN bond in the quinoxaline scaffold has been successfully realized for the first time by introduction of a formyl or an acyl group adjacent to the C-position of the CâN moiety. The reversed reactivity of the CâN bond thus enabled direct nucleophilic attack of alkyl Grignard reagents at the N-terminus rather than the C-terminus, thereby providing an unprecedented and efficient method for the synthesis of quinoxalin-2(1H)-one derivatives involving a tandem N-alkylation/CâC bond cleavage process.
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Quinoxalinas , Alquilación , Indicadores y Reactivos , Estructura MolecularRESUMEN
We herein described a nickel-catalyzed cyclization of N-(o-ethynylaryl)acrylamides for the selective synthesis of dihydrocyclobuta[c]quinolin-3-ones and benzo[b]azocin-2-ones. The two varied products could be easily obtained by tuning the reaction temperature. This reaction features easy temperature-control, high efficiency, and gram-scale synthesis.
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Herein we describe a nickel-catalyzed remote hydrosilylation of unconjugated enones with bulky triphenylsilane. A range of Z-silyl enol ethers are obtained as major isomers due to the process of nickel triggered alkene isomerization. Notably, some specific alkyl silyl enol ethers can be prepared from this protocol, which are not easily accessed by the traditional strategy using a strong base and chlorosilane. This reaction features 100% atom economy, simple reaction conditions, and good yields.
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An efficient, mild, and atom-economical synthesis of benzo[b]fluorenols from 1,6-enynes has been developed under photocatalytic conditions. A single P/N heteroleptic Cu(I)-photosensitizer might exhibit both energy-transfer and photoredox catalytic activities in the formation of benzo[b]fluorenols.
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In previous literature, tert-cyclobutanols are widely studied for C-C bond activation exclusively leading to the formation of ordinary γ-substituted ketones. Herein, we first report a nickel-catalyzed cine-arylation of tert-cyclobutanols with indoles to access ß-aryl ketones with an unusual site-selectivity at the C3-position of tert-cyclobutanols. The reaction features earth-abundant nickel catalysis, excellent regioselectivity, high atom-economy, and broad substrate scope.
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Herein we describe a NHC-catalyzed Truce-Smiles rearrangement of N-aryl methacrylamides which enables the cleavage of an inert aryl C-N bond. A range of trans-cinnamides could be obtained by the direct construction of a C(aryl)-C(alkenyl) bond and functional groups such as Br, Cl, CN, and pyridinyl are compatible with NHC catalysis. The reaction features high atom-economy, transition-metal free catalysis, and easily available substrates.
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Herein, we first present a nickel-catalyzed arylation and alkenylation of tert-cyclobutanols with aryl/alkenyl triflates via a C-C bond cleavage. An array of γ-substituted ketones was obtained in moderate-to-good yields, thus featuring earth-abundant nickel catalysis, broad substrate scope, and simple reaction conditions. Preliminary mechanistic experiments indicated that ß-carbon elimination pathways might be involved in the catalytic cycle.
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An unprecedented exploration of tertiary amines as alkyl radical equivalents for cross-coupling with aromatic alkynes to access allylarenes has been achieved by a P/N heteroleptic Cu(I)-based photosensitizer under photoredox catalysis conditions. Mechanistic studies reveal that the reaction might undergo radical addition of in situ-generated α-amino radical intermediates to alkynes followed by 1,5-hydrogen transfer, C-N bond cleavage, and concomitant isomerization of the resulting allyl radical species.
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An efficient synthesis of 2,5-disubstituted furans directly from alkynyl ketones has been developed via tandem gold(i)-catalyzed isomerization of alkynyl ketones to allenyl ketones and cycloisomerization. The key to the success of this chemistry is the use of a biphenyl-2-ylphosphine ligand featuring a critical remote tertiary amino group.
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We describe a gold (I)-catalyzed tandem O-nucleophilic addition/[3,3]-rearrangement reaction of N-hydroxybenzo[1,2,3]-triazin-4(3H)-ones with alkynes enabled by a biphenyl-2-yl phosphine ligand featuring a pendant amide moiety (L1). A variety of 1-(2-oxo-2-arylethyl)benzo [d][1,2,3]triazin-4(1H)-one derivatives were synthesized in good to excellent yields. The present protocol gives a rare example of simultaneous formation of C-O and C-N bonds in the gold(I)-catalyzed [3,3]-sigmatropic rearrangements.
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An efficient and straightforward method for the synthesis of N-heteroaroyl imides has been successfully developed involving a copper-catalyzed radical-triggered three-component reaction of N-heteroaryl aldehydes, nitriles, and water. Mechanistic studies indicate that the reaction may undergo a radical-triggered Ritter-type reaction in which water serves as the oxygen source for the formation of the C-O bond. The reaction has advantages such as a broad substrate scope for the N-heteroaryl aldehydes, atom economy, and simple operation.