Spectroscopic data de-noising via training-set-free deep learning method

De-noising plays a crucial role in the post-processing of spectra. Machine learning-based methods show good performance in extracting intrinsic information from noisy data, but often require a high-quality training set that is typically inaccessible in real experimental measurements. Here, using spectra in angle-resolved photoemission spectroscopy (ARPES) as an example, we develop a de-noising method for extracting intrinsic spectral information without the need for a training set. This is possible as our method leverages the self-correlation information of the spectra themselves. It preserves the intrinsic energy band features and thus facilitates further analysis and processing. Moreover, since our method is not limited by specific properties of the training set compared to previous ones, it may well be extended to other fields and application scenarios where obtaining high-quality multidimensional training data is challenging

Hyperin up-regulates miR-7031-5P to promote osteogenic differentiation of MC3T3-E1 cells

Objective. To investigate the effects of Hyperin (Hyp) on osteogenic differentiation of MC3T3E1 cells. Methods. Differentially expressed miRNA was screened by miRNA Microarray. miR-7031-5P overexpression and knockdown MC3T3-E1 cell models were constructed by transfecting miR-7031-5P mimics and inhibitor. Alizarin red staining (ARS) assay was used to observe the formation of mineralized nodules in MC3T3-E1 cells. ALP activity was detected by using ALP detection kit. Western blot assay was used to examine the changes in osteogenic differentiation-related proteins. The relationship between miR-7031-5P and Wnt7a was revealed by dual luciferase report experiments. Results. We found that miR-7031-5P was upregulated in MC3T3-E1 cells after Hyp treatment. The results indicated that compared with the untreated group, Hyp promoted the formation of mineralized nodules and the alkaline phosphatase (ALP) activity of MC3T3-E1 cells via overexpressing miR-7031-5P. Besides, elevated miR-7031-5P increased OPN, COL1A1, and Runx2 mRNA expression. More importantly, Wnt7a was identified as the downstream target gene of miR-70315P promoting osteogenic differentiation of MC3T3-E1 cells. Conclusions. Hyp up-regulated miR-7031-5P to promote osteogenic differentiation of MC3T3-E1 cells by targeting Wnt7

Large expert-curated database for benchmarking document similarity detection in biomedical literature search

Document recommendation systems for locating relevant literature have mostly relied on methods developed a decade ago. This is largely due to the lack of a large offline gold-standard benchmark of relevant documents that cover a variety of research fields such that newly developed literature search techniques can be compared, improved and translated into practice. To overcome this bottleneck, we have established the RElevant LIterature SearcH consortium consisting of more than 1500 scientists from 84 countries, who have collectively annotated the relevance of over 180 000 PubMed-listed articles with regard to their respective seed (input) article/s. The majority of annotations were contributed by highly experienced, original authors of the seed articles. The collected data cover 76% of all unique PubMed Medical Subject Headings descriptors. No systematic biases were observed across different experience levels, research fields or time spent on annotations. More importantly, annotations of the same document pairs contributed by different scientists were highly concordant. We further show that the three representative baseline methods used to generate recommended articles for evaluation (Okapi Best Matching 25, Term Frequency-Inverse Document Frequency and PubMed Related Articles) had similar overall performances. Additionally, we found that these methods each tend to produce distinct collections of recommended articles, suggesting that a hybrid method may be required to completely capture all relevant articles. The established database server located at https://relishdb.ict.griffith.edu.au is freely available for the downloading of annotation data and the blind testing of new methods. We expect that this benchmark will be useful for stimulating the development of new powerful techniques for title and title/abstract-based search engines for relevant articles in biomedical research.Peer reviewe

Removing grid structure in angle-resolved photoemission spectra via deep learning method

Spectroscopic data may often contain unwanted extrinsic signals. For example, in ARPES experiment, a wire mesh is typically placed in front of the CCD to block stray photo-electrons, but could cause a grid-like structure in the spectra during quick measurement mode. In the past, this structure was often removed using the mathematical Fourier filtering method by erasing the periodic structure. However, this method may lead to information loss and vacancies in the spectra because the grid structure is not strictly linearly superimposed. Here, we propose a deep learning method to effectively overcome this problem. Our method takes advantage of the self-correlation information within the spectra themselves and can greatly optimize the quality of the spectra while removing the grid structure and noise simultaneously. It has the potential to be extended to all spectroscopic measurements to eliminate other extrinsic signals and enhance the spectral quality based on the self-correlation of the spectra solely

Clinical characteristics and prostate-cancer-specific mortality of competitive risk nomogram in the second primary prostate cancer

BackgroundWith the development of early diagnosis and treatment, the second primary malignancy (SPM) attracts increasing attention. The second primary prostate cancer (spPCa) is an important class of SPM, but remains poorly understood.MethodsWe retrospectively analyzed 3,322 patients with spPCa diagnosed between 2004 and 2015 in the Surveillance, Epidemiology, and End Results (SEER) database. Chi-square test was applied to compare demographic and clinical variables and analyze causes of death. Multivariate competitive risk regression model was used to identify risk factors associated with prostate-cancer-specific mortality (PCSM), and these factors were enrolled to build a nomogram of competitive risk. The C-index, calibration curve, and decision curve analysis (DCA) were employed to evaluate the discrimination ability of our nomogram.ResultsThe median follow-up (interquartile range, IQR) time was 47 (24–75) months, and the median (IQR) diagnosis interval between the first primary cancer (FPC) and spPCa was 32 (16–57) months. We found that the three most common sites of SPM were the urinary system, digestive system, and skin. Through multivariate competitive risk analysis, we enrolled race (p < 0.05), tumor–node–metastasis (TNM) stage (p < 0.001), Gleason score (p < 0.05), surgery (p = 0.002), and radiotherapy (p = 0.032) to construct the model to predict the outcomes of spPCa. The C-index was 0.856 (95% CI, 0.813–0.899) and 0.905 (95% CI, 0.941–0.868) in the training and validation set, respectively. Moreover, both the calibration curve and DCA illustrated that our nomogram performed well in predicting PCSM.ConclusionIn conclusion, we identified four risk factors associated with the prognosis of spPCa and construct a competing risk nomogram, which performed well in predicting the 3-, 5-, and 10-year PCSM

Catalytic Oxidation and Desulfurization of Calcium-Hydroxide Gypsum Wet Flue Gas Using Modified MIL-53(Fe)

MIL-53(Fe) was prepared and modified with benzoic acid to prepare MIL-53(Fe)-BA additive, which was used to improve the catalytic oxidation rate of sulfite, prevent the scaling of the desulfurization tower, and improve the desulfurization efficiency during the wet flue gas desulfurization (WFGD) process of power plants. MIL-53(Fe)-BA exhibits abundant Lewis acid sites because of the appearance of coordination unsaturated Fe atoms. Due to the excellent sorption capacity, Ca(OH)2 was used as the main SO2 desulfurizer. The composite desulfurizers were prepared by mixing MIL-53(Fe)-based additives and Ca(OH)2, and were characterized by SEM, XRD, and FT-IR. A desulfurization unit was set up at laboratory scale to study the effect of catalytic oxidation additives on sulfite oxidation and desulfurization efficiency. The results showed that the addition of MIL-53(Fe)-BA can increase the oxidation capacity of sulfite by 159%, and greatly improve the desulfurization efficiency. These composite desulfurizers broaden the adaptability of the desulfurizing system to high-sulfur coals, and provide support for improving the desulfurizing efficiency of power plants

Chlorine-anion doping induced multi-factor optimization in perovskties for boosting intrinsic oxygen evolution

The oxygen evolution reaction (OER) plays a crucial role in many electrochemical energy technologies, and creating multiple beneficial factors for OER catalysis is desirable for achieving high catalytic efficiency. Here, we highlight a new halogen-chlorine (Cl)-anion doping strategy to boost the OER activity of perovskite oxides. As a proof-of-concept, proper Cl doping at the oxygen site of LaFeO3 (LFO) perovskite can induce multiple favorable characteristics for catalyzing the OER, including rich oxygen vacancies, increased electrical conductivity and enhanced Fe-O covalency. Benefiting from these factors, the LaFeO2.9-δCl0.1 (LFOCl) perovskite displays significant intrinsic activity enhancement by a factor of around three relative to its parent LFO. This work uncovers the effect of Cl-anion doping in perovskites on promoting OER performance and paves a new way to design highly efficient electrocatalysts.</p

Wood-Inspired Ultrafast High-Performance Adsorbents for CO₂ Capture

Under favorable regeneration conditions (120 °C, 100% CO2), ultrafast adsorption kinetics and excellent long-term cycle stability are still the biggest obstacles for amine-based solid CO2 adsorbents. Inspired by natural wood, a biochar with a highly ordered pore structure and excellent thermal conductivity was prepared and used as a carrier of organic amines to prepare ideal CO2 adsorbents. The results showed that the prepared adsorbent has a very high adsorption working capacity (4.23 mmol CO2·g–1), and its performance remains stable even after 30 adsorption–desorption cycles in the harsh desorption environment (120 °C, 100% CO2). Due to the existence of the hierarchical structure, the adsorbent exhibited ultra-fast adsorption kinetics, and the reaction rate constant is 37 times higher than that of traditional silica. This adsorbent also showed a very low regeneration heat of 1.64 MJ·kg–1 (CO2), which is especially important for the practical application. Therefore, these biochar-based adsorbents derived from natural wood make the CO2 capture process promising

In Situ Growth of Nanoporous Covalent Organic Frameworks on Metal–Organic Framework Surfaces for Epoxy Coating Applications

The Cu-MOF’s susceptibility to easy hydrolysis impairs its utility. A one-pot method was used to encapsulate nanoporous hydrophobic Im-COF on the surface of Cu-MOF. The hybrid Cu-MOF@Im-COF exhibited a water contact angle (WCA) of 100.9°. Cu-MOF/G@Im-COF was obtained by a grooming process (G) with 1H,1H,2H,2H-perfluorooctanetriethoxysilane and integrated with epoxy resin (E51) in two ways. The Cu2+ release rate from the coatings, as determined by atomic absorption spectroscopy tests, was reduced to 0.01037 μg·cm–2·d–1. In antimicrobial experiments with E. coli, the killing time was extended for 12 h. The Bode value increased to 1.4 × 1010 Ω when immersed in a 3.5% NaCl solution for comparison. The self-cleaning and anti-icing test performance of the coatings was significantly improved with increasing WCA. Cu-MOF/G@Im-COF will have an even greater impact in more areas than just antimicrobial and corrosion resistance

Molar ratio induced crystal transformation from coordination complex to coordination polymers

Coordination complex of a copper cyanurate (Cu(II)-CA) was transformed into coordination polymers upon the stimulus of extra Cu(II) through “directed Ostwald ripening”. By increasing the molar ratio of Cu(II) to CA, we obtained two coordination polymers with selective coordination sites: Cu(II)-κN(HCA)κN-Cu(II) and Cu(II)-κN(HCA)κO-Cu(II), which display disparate magnetic interactions