Surface terminations of two‐dimensional MXene (Ti3C2Tx) considerably impact its physicochemical properties. Commonly used etching methods usually introduce ‐F surface terminations or metallic ...impurities in MXene. We present a new molten‐salt‐assisted electrochemical etching method to synthesize fluorine‐free Ti3C2Cl2. Using electrons as reaction agents, cathode reduction and anode etching can be spatially isolated; thus, no metallics are present in the Ti3C2Cl2 product. The surface terminations can be in situ modified from −Cl to −O and/or −S, which considerably shortens the modification steps and enriches the variety of surface terminations. The obtained −O‐terminated Ti3C2Tx are excellent electrode materials for supercapacitors, exhibiting capacitances of 225 F g−1 at 1.0 Ag−1, good rate performance (91.1 % at 10 Ag−1), and excellent capacitance retention (100 % after 10000 charge/discharge cycles at 10 Ag−1), which is superior to multi‐layered Ti3C2Tx prepared by other etching methods.
This is the first study to use a molten‐salt‐assisted electrochemical etching (MS‐E‐etching) method to synthesize Ti3C2Cl2 without metallic impurities. The Tx surface terminations could be in situ modified from −Cl to −O and/or −S in this one‐pot process. The obtained −O‐terminated Ti3C2Tx electrode exhibited a significant increase in capacity.
Increasing visible light absorption of classic wide‐bandgap photocatalysts like TiO2 has long been pursued in order to promote solar energy conversion. Modulating the composition and/or stoichiometry ...of these photocatalysts is essential to narrow their bandgap for a strong visible‐light absorption band. However, the bands obtained so far normally suffer from a low absorbance and/or narrow range. Herein, in contrast to the common tail‐like absorption band in hydrogen‐free oxygen‐deficient TiO2, an unusual strong absorption band spanning the full spectrum of visible light is achieved in anatase TiO2 by intentionally introducing atomic hydrogen‐mediated oxygen vacancies. Combining experimental characterizations with theoretical calculations reveals the excitation of a new subvalence band associated with atomic hydrogen filled oxygen vacancies as the origin of such band, which subsequently leads to active photo‐electrochemical water oxidation under visible light. These findings could provide a powerful way of tailoring wide‐bandgap semiconductors to fully capture solar light.
In contrast to the common tail‐like absorption band in hydrogen‐free oxygen‐deficient TiO2, an unusual strong absorption band spanning the full spectrum of visible light is achieved in red anatase TiO2 by intentionally introducing atomic hydrogen‐mediated oxygen vacancies that subsequently lead to active photo‐electrochemical water oxidation under visible light.
Effective capture of radioactive iodine is of paramount importance for the safe and long‐term storage of fission products in the nuclear fuel cycle. Herein, a series of functionalized Th‐UiO‐66 MOFs ...was employed as a model to investigate the effects of substituents on iodine adsorption in both solution and vapor states. Sorption studies revealed that the electro‐donating amino group exhibits the most positive role on increasing the removal rate of iodine from cyclohexane and the uptake capacity of iodine vapor. Particularly, the disubstituted Th‐UiO‐66‐(NH2)2 can effectively remove 91.9 % of iodine (300 mg L−1) from cyclohexane and capture 969 mg g−1 iodine vapor, significantly higher than 59.6 % and 334 mg g−1 of untagged Th‐UiO‐66, respectively. In addition, the substituent effect on the radiolytic stability of MOFs was for the first time investigated, leading to the unearthing of one of the most radioresistant MOFs Th‐UiO‐66‐NH2 reported to date.
A systematic study on the effects of aromatic substitution on iodine adsorption was performed by employing Th‐UiO‐66 as a platform, giving rise to the disubstituted Th‐UiO‐66‐(NH2)2 with the best iodine sorption performance. Moreover, aromatic substitution was employed as a new strategy to enhance the radioresistance of MOFs.
Abstract
Motivation
It has been shown that microRNAs (miRNAs) play key roles in variety of biological processes associated with human diseases. In Consideration of the cost and complexity of ...biological experiments, computational methods for predicting potential associations between miRNAs and diseases would be an effective complement.
Results
This paper presents a novel model of Inductive Matrix Completion for MiRNA-Disease Association prediction (IMCMDA). The integrated miRNA similarity and disease similarity are calculated based on miRNA functional similarity, disease semantic similarity and Gaussian interaction profile kernel similarity. The main idea is to complete the missing miRNA-disease association based on the known associations and the integrated miRNA similarity and disease similarity. IMCMDA achieves AUC of 0.8034 based on leave-one-out-cross-validation and improved previous models. In addition, IMCMDA was applied to five common human diseases in three types of case studies. In the first type, respectively, 42, 44, 45 out of top 50 predicted miRNAs of Colon Neoplasms, Kidney Neoplasms, Lymphoma were confirmed by experimental reports. In the second type of case study for new diseases without any known miRNAs, we chose Breast Neoplasms as the test example by hiding the association information between the miRNAs and Breast Neoplasms. As a result, 50 out of top 50 predicted Breast Neoplasms-related miRNAs are verified. In the third type of case study, IMCMDA was tested on HMDD V1.0 to assess the robustness of IMCMDA, 49 out of top 50 predicted Esophageal Neoplasms-related miRNAs are verified.
Availability and implementation
The code and dataset of IMCMDA are freely available at https://github.com/IMCMDAsourcecode/IMCMDA.
Supplementary information
Supplementary data are available at Bioinformatics online.
Radiation dosimeters displaying conspicuous response of irradiance are highly desirable, owing to the growing demand of monitoring high-energy radiation and environmental exposure. Herein, we present ...a case of dosimetry based on a discrete nanocluster, Th
(OH)
(O)
(H
O)
(TPC)
(HCOO)
∙4DMF∙H
O (Th-SINAP-100), by judiciously incorporating heavy Th
polynuclear centers as radiation attenuator and organic linkers as photo-responsive sensor. Interestingly, dual-module photochromic transitions upon multiple external stimuli including UV, β-ray, and γ-ray are integrated into this single material. The striking color change, and more significantly, the visible color transition of luminescence in response to accumulating radiation dose allow an on-site quantitative platform for naked-eye detection of ionization radiations over a broad range (1-80 kGy). Single crystal X-ray diffraction and density functional theory calculations reveal that the dual-module photochromism can be attributed to the π(TPC) → π*(TPC) intermolecular charge transfer driven by enhanced π-π stacking interaction between the adjacent TPC moieties upon irradiation.
Dry reforming of methane (DRM) is a feasible solution to address the reduction of greenhouse gases stipulated by the Paris Climate Agreement, given that it adds value by converting trivial gases, CO2 ...and CH4, simultaneously into useful syngas. However, the conventional Ni catalyst undergoes deactivation due to carbon coking and particle agglomeration. Here we demonstrate a highly efficient and durable DRM catalyst: exsolved Co‐Ni‐Fe ternary alloy nanoparticles on the layered perovskite PrBaMn1.7Co0.1Ni0.2O5+δ produced by topotactic exsolution. This method readily allows the generation of a larger number of exsolved nanoparticles with enhanced catalytic activity above that of Ni monometallic and Co‐Ni bimetallic particles. The enhancement is achieved by the upshift of the d‐band center of Co‐Ni‐Fe relative to those of Co‐Ni and Ni, meaning easier charge donation to the adsorbate. Furthermore, the exsolved catalyst shows exceptional stability, with continuous DRM operation for about 350 hours.
Ternary Co‐Ni‐Fe nanoparticles were produced by topotactic exsolution. Compared bimetallic and monometallic catalysts, the ternary Co‐Ni‐Fe catalyst exhibited enhanced catalytic activity for the dry reforming of methane. DFT calculations indicated the enhanced activity originates from the optimal upshift of the d‐band center of Co‐Ni‐Fe catalyst.
This paper investigates a wide range of generalized Maclaurin symmetric mean (MSM) aggregation operators, such as the generalized arithmetic MSM and the generalized geometric MSM, whose predominant ...characteristic is capturing the interrelationships among multi-input arguments. The single-valued neutrosophic linguistic set plays an essential role in decision making, which can serve as an extension of either a linguistic term set or a single-valued neutrosophic set. This study centers on multi-criteria decision-making (MCDM) issues in which criteria are weighed differently and criteria values are expressed as single-valued neutrosophic linguistic numbers. Based on this foundation, we extend a series of MSM aggregation techniques under single-valued neutrosophic linguistic environments and propose procedures for solving MCDM problems. We also explore the influence of parameters on aggregation results. Finally, we provide a practical example and conduct a comparison analysis between the proposed approach and other existing methods in order to verify the proposed approach and demonstrate its validity.
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•The risk evaluation of construction project is described as a MCDM problem with the PFNs.•A PFNP model is proposed to overcome the limitations of the extant picture fuzzy projection ...model.•A picture fuzzy entropy weight method is introduced to obtain an objective weight vector of criteria.•PFNP-VIKOR method is developed to rank risk factors of construction project.
Identifying the priority of risk factors through risk evaluation is a significant decision-making problem for construction project management team. In this study, a multi-criteria decision-making framework is constructed for risk evaluation of construction project with picture fuzzy information. First, several limitations of the extant picture fuzzy projection model are identified. Second, a picture fuzzy normalized projection (PFNP) model is proposed to overcome the limitations of the extant picture fuzzy projection model. Third, an entropy weight method of picture fuzzy sets is established to calculate the objective weight vector of the criteria. Furthermore, an integrated picture fuzzy normalized projection-based VIKOR method is constructed by integrate the PFNP model and VIKOR method under picture fuzzy environment. The proposed method not only considers the difference between two picture fuzzy numbers (PFNs), including distance and included angle, but also considers the compromise among the criteria. Finally, a case study, sensitivity analysis, and comparative analysis are conducted to interpret the practicality and validity of the proposed method.
This study aims to investigate the hotel selection differences among different types of travellers through online hotel reviews. Specifically, the study performs a detailed examination of the ...differences in hotel key factors, criterion importance and selection results among five types of travellers, namely, business, couples, families, friends and solo. Using a sample of 194,885 online reviews on TripAdvisor.com, this study identifies the hotel key factors and criterion importance by employing the term frequency-inverse document frequency algorithm and Word2Vec algorithm. Additionally, a bounded rationality behavioural decision support model with picture fuzzy information is proposed to address hotel selection problems for different traveller types. Our results suggest that different types of travellers present differences in hotel key factors, criterion importance and selection results. However, families and friends have similar hotel selection results. This study can serve as a reference for hotel managers in understanding traveller preferences and for tourism website optimisation.
•The difference in hotel selection of five traveller types (business, couples, families, friends and solo) is investigated.•Key factors and criteria importance affecting travelers' hotel selection for different types of travelers were identified.•A picture fuzzy TODIM method is proposed for helping five types of travelers to select appropriate hotels.•Five travelers have different preference in key factors and criteria importance.•It is interesting to note that families and friends travelers have similar hotel selection results.
Dry reforming of methane (DRM) has been emerging as a viable solution to achieving carbon neutrality enhanced by the Paris Agreement as it converts the greenhouse gases of CO2 and CH4 into ...industrially useful syngas. However, there have been limited studies on the DRM catalyst under mild operating conditions with a high dilution gas ratio due to their deactivation from carbon coking and metal sintering. Herein, we apply the triple‐phase boundary (TPB) concept to DRM catalyst via exsolution phenomenon that can secure elongated TPB by controlling the Fe‐doping ratio in perovskite oxide. Remarkably, the exsolved catalyst with prolongated TPB shows exceptional CO2 and CH4 conversion rates of 95.9 % and 91.6 %, respectively, stable for 1000 hours under a dilution‐free system. DFT calculations confirm that the Lewis acid of support and Lewis base of metal at the TPB promote the adsorption of reactants, resulting in lowering the overall CO2 dissociation and CH4 dehydrogenation energy.
A triple‐phase boundary (TPB) extended nanocatalyst converts CO2 and CH4 to industrially useful syngas. Even under a dilution‐free system, the precisely controlled exsolved nanocatalyst was highly active and stable for 1000 hours without any deactivation. DFT calculations revealed that the Lewis acid and base natures of support and metal, respectively, enhance the adsorption ability of reactants at the TPB site.
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