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Catalytic destruction is an ascendant technology for the abatement of volatile organic compounds (VOCs) originating from solvent-based industrial processes. The varied composition tends to influence each VOC's catalytic behavior in the reaction mixture. We investigated the catalytic destruction of multi-component VOCs including dichloromethane (DCM) and ethyl acetate (EA), as representatives from pharmaceutical waste gases, over co-supported HxPO4-RuOx/CeO2 catalyst. A mutual inhibitory effect relating to concentrations because of competitive adsorption was verified in the binary VOCs oxidation and EA posed a more negative effect on DCM oxidation owing to EA's superior adsorption capacity. Preferential adsorption of EA on acidic sites (HxPO4/CeO2) promoted DCM activation on basic sites (O2-) and the dominating EA oxidation blocked DCM's access to oxidation centers (RuOx/CeO2), resulting in boosted monochloromethane yield and increased chlorine deposition for DCM oxidation. The impaired redox ability of Ru species owing to chlorine deposition in turn jeopardized deep oxidation of EA and its by-products, leading to increased gaseous by-products such as acetic acid originating from EA pyrolysis. Notably, DCM at low concentration slightly promoted EA conversion at low temperatures with or without water, consistent with the enhanced EA adsorption in co-adsorption analyses. This was mainly due to that DCM impeded the shielding effect of hydrolysate deposition from rapid EA hydrolysis depending on the decreased acidity. Moreover, water benefited EA hydrolysis but decreased CO2 selectivity while the generated water derived from EA was likely to affect DCM transformation. This work may provide theoretical guidance for the promotion of applied catalysts toward industrial applications.

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Raman spectroscopy with the advantages of the in situ and simultaneous detection of multi-components has been widely used in the identification and quantitative detection of gas. As a type of scattering spectroscopy, the detection sensitivity of Raman spectroscopy is relatively lower, mainly due to the low signal collection efficiency. This paper presents the design and assembly of a multi-channel cavity-enhanced Raman spectroscopy system, optimizing the structure of the sample pool to reduce the loss of the laser and increase the excitation intensity of the Raman signals. Moreover, three channels are used to collect Raman signals to increase the signal collection efficiency for improving the detection sensitivity. The results showed that the limits of detection for the CH4, H2, CO2, O2, and N2 gases were calculated to be 3.1, 34.9, 17.9, 27, and 35.2 ppm, respectively. The established calibration curves showed that the correlation coefficients were all greater than 0.999, indicating an excellent linear correlation and high level of reliability. Meanwhile, under long-time integration detection, the Raman signals of CH4, H2, and CO2 could be clearly distinguished at the concentrations of 10, 10, and 50 ppm, respectively. The results indicated that the designed Raman system possesses broad application prospects in complex field environments.

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The cyclohexane organic acid 3-dehydroshikimate (DHS) has potent antioxidant activity and is widely utilised in chemical and pharmaceutical industries. However, its production requires a long fermentation with a suboptimal yield and low productivity, and a disproportionate growth-to-production ratio impedes the upscaling of DHS synthesis in microbial cell factories. To overcome these limitations, competing and degradation pathways were knocked-out and key enzymes were balanced in an engineered Escherichia coli production strain, resulting in 12.2 g/L DHS. Furthermore, to achieve equilibrium between cell growth and DHS production, a CRISPRi-based temperature-responsive multi-component repressor system was developed to dynamically control the expression of critical genes (pykF and aroE), resulting in a 30-fold increase in DHS titer. After 33 h fermentation in 5 L bioreactor, the DHS titer, productivity and yield reached 94.2 g/L, 2.8 g/L/h and 55 % glucose conversion, respectively. The results provided valuable insight into the production of DHS and its derivatives.

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BACKGROUND: Allergen testing has emerged as a pivotal component in prevention and treatment strategies for allergic diseases among children and the utilization of specific IgE (sIgE) through a fully automated chemiluminescent microarray immunoassay (CLMIA) has emerged as a promising trend in the simultaneous detection of multiple allergenic components of children. METHODS: The accuracy and reliability of CLMIA were verified using children's serum samples that concentrated on allergens. the allergens. The clinical diagnostic practicability of CLMIA was assessed through comprehensive evaluations including measurements of the limit of detection (LOD), intra-batch, and inter-batch precision, linearity analysis, the cross-contamination rate, and the concordance rate with the Phadia system. RESULTS: After the optimization process of CLMIA, the LODs for allergens were calculated to be below 0.01 kU/L, demonstrating the high sensitivity of CLMIA. All components exhibited good linearity within the range of 0.1-100.0 kU/L and the coefficient of determinations (R2 > 0.99). The data of intra-batch precision (<10 %) and inter-batch data (<15 %) illustrated the high reproducibility of CLMIA. The cross-contamination rates for allergens (<0.5 %) showed the high accuracy of CLMIA without interfering. The positive concordance rate between CLMIA and the Phadia system exceeds 90 % with a good negative concordance rate (>85 %) and the Kappa coefficients (>0.8), suggesting the close alignment of CLMIA and the Phadia system and showing the satisfactory clinical potential of CLMIA in children's allergy disease. CONCLUSIONS: The application of CLMIA has been promising in allergen testing, especially for detecting multiple allergenic components in children.

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Background: Traditional meta-analysis offers only direct comparative evidence. The optimal cognitive training for poststroke cognitive impairment (PSCI) remains largely undetermined. Objectives: This study aims to assess and compare the effectiveness of selected cognitive training methods for PSCI patients and to identify and rank the most effective intervention programs. Methods: Searches were conducted in PubMed, Embase, Cochrane Library, Web of science, China National Knowledge Infrastructure, China Science and Technology Journal Database, Wanfang Database, and China Biomedical Database for randomized controlled trials up to September 30, 2023. Two researchers independently performed literature screening, data extraction, and quality assessment. Network meta-analysis was utilized to synthesize the main findings. The primary outcome focused on the intervention's impact on subjective cognitive function, with secondary outcomes including effects on activities of daily living, motor function, and functional independence. This study is registered with PROSPERO (CRD42023463282). Results: Fifty eligible randomized controlled trials were identified, revealing eight distinct interventions. These interventions collectively demonstrate efficacy in enhancing cognition. Traditional cognitive training significantly improves overall cognitive function, daily living function, motor function, and functional independence. In Loewenstein Occupational Therapy Cognitive Assessment, Barthel Index, Fugl-Meyer Assessment, and Functional Independence Measure scales, a combination of computer-based and traditional cognitive training outperformed the conventional control group MD = 29.97 (95%CI: 16.3, 44.2), MD = 18.67 (95%CI: 9.78, 27.45), MD = 28.76 (95%CI: 5.46, 51.79) and MD = 42.2 (95%CI: 5.25, 78.99). In the MMSE scale, virtual reality cognitive training combined with traditional training was most effective MD = 8.01 (95%CI: 3.6, 12.4). On the MoCA scale, the combination of exercise and cognitive training showed superior results MD = 6.68 (95%CI: 2.55, 10.78). Only the combined computer-based and traditional cognitive training, as well as traditional cognitive training alone, significantly enhanced functional independence, with no notable differences in other pairwise interventions. Conclusion: The network meta-analysis suggests that augmenting traditional training with other modalities may enhance overall effectiveness. Specifically, interventions incorporating computer-based cognitive training appear to surpass other methods in improving cognition, daily living function, motor skills, and functional independence. The findings of this network meta-analysis provide evidence-based guidance for clinical decision-making. Systematic Review Registration: https://www.crd.york.ac.uk/PROSPERO/, identifier in PROSPERO (CRD42023463282).

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OBJECTIVE: To evaluate whether Multi-component exercise (MCE) is more effective than single exercise in improving walking ability in stroke patients. DESIGN: Systematic review and meta-analysis. DATA SOURCES: A systematic search of PubMed, Embase, Web of Science, Cochrane Library, and CINAHL from the establishment of each database to February 2024 was performed. A combination of medical subject headings and free-text terms relating to stroke, exercise were searched. STUDY SELECTION: Randomized controlled trials treating stroke survivors with multi-component exercise were included. The control groups received conventional treatments such as conventional treatment or no intervention or sham training; the experimental groups received multi-component exercise. The outcome measures were walking endurance, gait speed and balance ability. DATA EXTRACTION: The data extraction form was completed by two independent reviewers.The risk of bias was assessed using the Cochrane Risk of Bias tool for randomized Controlled Trials.Review Manager 5.4 software was used for data analysis.Subgroup analysis and sensitivity analysis were used to supplement the results with higher heterogeneity.The Preferred Reporting Project for Systematic Reviews and Meta-analyses 2020 guidelines were followed. DATA SYNTHESIS: 12 studies were included. Meta-analyses found that compared with the control group,MCE significantly affected gait speed (MD = 0.11; 95%CI 0.06, 0.16, I2 = 0%), but the effect on balance ability was not statistically significant.Subgroup analysis showed that MCE (≥60 min) was effective in improving walking endurance. These results suggest that multi-component exercise improves walking endurance and walking speed in stroke patients. CONCLUSION: Multi-component exercise helps improve the gait speed of stroke survivors. Prolonging the multi-component exercise time may have a better effect on improving the walking endurance of stroke patients.

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Electrochemical water splitting for hydrogen production is an ideal process for clean energy production. However, highly active and low-cost electrocatalysts are essential and challenging. In this work, a multi-component Cu-based catalyst (Ru-M-C-Cu), synergized with ruthenium (Ru) heteroatom doping, was synthesized via a facile immersion-calcination-immersion method. Based on the cotton biomass substrate, a hollow tubular structure was obtained. By virtue of its distinctive structure and high carbon content, cotton biomass assumed a dual role as a sacrificial template and a reducing agent in the eco-friendly synthesis of electrocatalysts, which was instrumental in the creation of a multi-component system augmented by heteroatom doping. The multi-component system was constructed by in-situ transformation and redox reaction during calcination in an oxygen-free environment. The Ru-M-C-Cu catalyst exhibited a competitive overpotential of 108 mV at a current density of 10 mA cm-2 for alkaline hydrogen evolution reaction (HER). The satisfactory catalytic performance of Ru-M-C-Cu can be attributed to the fact that the Ru-O-Cu catalytic centers enhanced the adsorption and desorption abilities of the Cu-O active sites toward hydrogen. Furthermore, the hollow tubular structure allowed the electrolyte to make full contact with the active sites of the Ru-M-C-Cu catalyst, thus accelerated the HER kinetics. The catalyst showed structural and chemical stability after a 12-hour successive test. Besides, the production cost of Ru-M-C-Cu was significantly reduced by 99.1 % than that of commercial 20 % Pt/C, showing the potential as an alternative catalyst by offering a more accessible and sustainable source. This work provides a new design of sustainable low-budget electrocatalysts with the proposed strategies expected for producing clean and renewable hydrogen energy.

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In this paper, enhancing the tribological characteristics of novel cast metallic materials-hybrid multi-component cast irons-by applying a strengthening heat treatment is described. The experimental materials were the cast alloys of a nominal composition (5 wt.% W, 5 wt.% Mo, 5 wt.% V, 10 wt.% Cr, 2.5 wt.% Ti, Fe is a balance) supplemented with 0.3-1.1 wt.% C and 1.5-2.5 wt.% B (total of nine alloys). The heat treatment was oil-quenching followed by 200 °C tempering. The quench temperature (QT) varied in the range of 900-1200 °C, with a step of 50 °C (with a 2-h holding at QT). The correlation of the QT with microstructure and properties was estimated using microstructure/worn surface characterization, differential scanning calorimetry, hardness measurement, and three-body-abrasive wear testing (using Al2O3 particles). The as-cast alloys had a multi-phase structure consisting of primary and/or eutectic borocarbide M2(B,C)5, carboborides M(C,B), M7(C,B)3, M3(C,B), and the matrix (ferrite, martensite, pearlite/bainite) in different combinations and volume fractions. Generally, the increase in the quenching temperature resulted in a gradual increase in hardness (maximally to 66-67 HRC) and a decrease in the wear rate in most alloys. This was due to the change in the phase-structure state of the alloys under quenching, namely, the secondary carboboride precipitation, and replacing ferrite and pearlite/bainite with martensite. The wear rate was found to be inversely proportional to bulk hardness. The maximum wear resistance was attributed to QT = 1150-1200 °C, when the wear rate of the alloys was lowered by three to six times as compared to the as-cast state. With the QT increase, the difference in the wear rate of the alloys decreased by three times. The highest abrasive resistance was attributed to the alloys with 1.1 wt.% C, which had a 2.36-3.20 times lower wear rate as compared with that of the reference alloy (13 wt.% Cr cast iron, hardness of 66 HRC). The effects of carbon and boron on hardness and wear behavior are analyzed using the regression models developed according to the factorial design procedure. The wear mechanisms are discussed based on worn surface characterization.

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High-entropy alloys (HEAs) are recognized as a class of advanced materials with outstanding mechanical properties and corrosion resistance. Among these, nickel-based HEAs stand out for their impressive strength, ductility, and oxidation resistance. This review delves into the latest advancements in nickel-containing HEAs, covering their fundamental principles, alloy design strategies, and additive manufacturing techniques. We start by introducing HEAs and their unique properties, emphasizing the crucial role of nickel. This review examines the complex relationships between alloy composition, valence electron concentration (VEC), and the resulting crystal structures. This provides insights into design principles for achieving desired microstructures and mechanical properties. Additive manufacturing (AM) techniques like selective laser melting (SLM), electron beam melting (EBM), and laser metal deposition (LMD) are highlighted as powerful methods for fabricating intricate HEA components. The review addresses the challenges of AM processes, such as porosity, fusion defects, and anisotropic mechanical properties, and discusses strategies to mitigate these issues through process optimization and improved powder quality. The mechanical behavior of AM-processed nickel-based HEAs is thoroughly analyzed, focusing on compressive strength, hardness, and ductility. This review underscores the importance of microstructural features, including grain size, phase composition, and deformation mechanisms, in determining the mechanical performance of these alloys. Additionally, the influence of post-processing techniques, such as heat treatment and hot isostatic pressing (HIP) on enhancing mechanical properties is explored. This review also examines the oxidation behavior of nickel-containing HEAs, particularly the formation of protective oxide scales and their dependence on aluminum content. The interplay between composition, VEC, and oxidation resistance is discussed, offering valuable insights for designing corrosion resistant HEAs. Finally, this review outlines the potential applications of nickel-based HEAs in industries such as aerospace, automotive, and energy, and identifies future research directions to address challenges and fully realize the potential of these advanced materials.

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In this research, a suitable and efficient CoFe2O4@ZnO@Bentonite nano-catalyst was designed and synthesized by using zinc oxide (ZnO) and cobalt ferrite (CoFe2O4) nanoparticles and bentonite by microwave irradiation. Characteristics of the synthesized nanocomposite were investigated by Fourier transform infrared (FT-IR), scanning electron microscope (SEM), energy dispersive X-ray (EDX), transmission electron microscope (TEM), X-ray diffraction (XRD), Bruner- Emmett-Teller (BET) and vibrating sample magnetometer (VSM) techniques. The produced catalyst was effectively employed as a supported solid acid catalyst in mildly agitated three-component reactions involving aromatic aldehydes, 4-hydroxycoumarin, and 1,3-dimethyl-barbituric acid in a single pot to produce benzylbarbiturocoumarins. Starting materials were condensed via three C-C bond formation by CoFe2O4@ZnO@Bentonite as an efficient, recyclable, and environmentally safe nanocatalyst to obtain target products. The advantages of this method include using a natural substrate, small amounts of catalyst, aqueous media, performing reactions at ambient temperature, simple separation and purification of products, and good yields with short reaction times.

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In this study, a multi-component integrated dissolution evaluation system of Yuanhu Zhitong tablets (YZTs) was established based on in vitro and in vivo correlation (IVIVC). The dissolution tests of five quality markers (Q-markers), including tetrahydropalmatine, α-allocryptopine, protopine, corydaline, and byakangelicin, in YZTs were conducted under different dissolution conditions, and pharmacokinetic studies were performed in beagle dogs to construct a correlation model using numerical deconvolution. The data of the five ingredients were integrated in vitro and in vivo according to the biopharmaceutical classification system (BCS) to establish an IVIVC integrating multiple Q-markers. The dissolution media with the best correlation of components were obtained and validated. The results showed that all five components were classified as BCS I compounds, and α-allocryptopine, byakangelicin, tetrahydropalmatine, and corydaline showed good correlation in the paddle method, 75 rpm, with dissolution media of artificial gastric fluid, acetate buffer, acetate buffer and 0.1 M HCl, respectively. Protopine showed good correlation in the paddle method, 100 rpm, with dissolution media of 0.1 M HCl. The integrated BCS I Q-markers showed the best correlation in the medium of acetate buffer. The multi-component integrated dissolution evaluation system established in this experiment accurately predicted the pharmacokinetic data of YZTs by verifying the media, which can be used for the quality control of YZTs. The present study provides an effective and promising strategy for the dissolution evaluation for traditional Chinese medicine preparations.

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In virtual surgical training, it is crucial to achieve real-time, high-fidelity simulation of the tissue deformation. The anisotropic and nonlinear characteristics of the organ with multi-component make accurate real-time deformation simulation difficult. A localized tissue constraint progressive transfer learning method is proposed in this paper, where the base-compensated dual-output transfer learning strategy and the localized tissue constraint progressive learning architecture are developed. The proposed strategy enriches the multi-component biomechanical dataset to fully represent complex force-displacement with minimal high-quality data. Meanwhile, the proposed architecture adopts focused and progressive model to accurately describe tissues with varied biomechanical properties rather than singular homogeneous model. We made comparison with 4 state-of-the-art (SOTA) methods in simulating multi-component biomechanical deformations of organs with 100 pairs of testing data. Results show that the accuracy of our method is 50% higher than other methods in different validation matrix. And our method can stably simulate the deformations in 0.005 s per frame, which largely improves the computing efficiency.

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Designing heat-resistant thermosets with excellent comprehensive performance has been a long-standing challenge. Co-curing of various high-performance thermosets is an effective strategy, however, the traditional trial-and-error experiments have long research cycles for discovering new materials. Herein, a two-step machine learning (ML) assisted approach is proposed to design heat-resistant co-cured resins composed of polyimide (PI) and silicon-containing arylacetylene (PSA), that is, poly(silicon-alkyne imide) (PSI). First, two ML prediction models are established to evaluate the processability of PIs and their compatibility with PSA. Then, another two ML models are developed to predict the thermal decomposition temperature and flexural strength of the co-cured PSI resins. The optimal molecular structures and compositions of PSI resins are high-throughput screened. The screened PSI resins are experimentally verified to exhibit enhanced heat resistance, toughness, and processability. The research framework established in this work can be generalized to the rational design of other advanced multi-component polymeric materials.

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Mechanistic models are powerful tools for chromatographic process development and optimization. However, hydrophobic interaction chromatography (HIC) mechanistic models lack an effective and logical parameter estimation method, especially for multi-component system. In this study, a parameter-by-parameter method for multi-component system (called as mPbP-HIC) was derived based on the retention mechanism to estimate the six parameters of the Mollerup isotherm for HIC. The linear parameters (ks,i and keq,i) and nonlinear parameters (ni and qmax,i) of the isotherm can be estimated by the linear regression (LR) and the linear approximation (LA) steps, respectively. The remaining two parameters (kp,i and kkin,i) are obtained by the inverse method (IM). The proposed method was verified with a two-component model system. The results showed that the model could accurately predict the protein elution at a loading of 10 g/L. However, the elution curve fitting was unsatisfactory for high loadings (12 g/L and 14 g/L), which is mainly attributed to the demanding experimental conditions of the LA step and the potential large estimation error of the parameter qmax. Therefore, the inverse method was introduced to further calibrate the parameter qmax, thereby reducing the estimation error and improving the curve fitting. Moreover, the simplified linear approximation (SLA) was proposed by reasonable assumption, which provides the initial guess of qmax without solving any complex matrix and avoids the problem of matrix unsolvable. In the improved mPbP-HIC method, qmax would be initialized by the SLA and finally determined by the inverse method, and this strategy was named as SLA+IM. The experimental validation showed that the improved mPbP-HIC method has a better curve fitting, and the use of SLA+IM reduces the error accumulation effect. In process optimization, the parameters estimated by the improved mPbP-HIC method provided the model with excellent predictive ability and reasonable extrapolation. In conclusion, the SLA+IM strategy makes the improved mPbP-HIC method more rational and can be easily applied to the practical separation of protein mixture, which would accelerate the process development for HIC in downstream of biopharmaceuticals.

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Carbon dioxide (CO2) is a non-toxic, abundant and recoverable source of carbon monoxide. Despite its thermodynamically stable and kinetically inert nature, research on CO2 utilisation is ongoing. CO2-based aryne reactions, crucial for synthesising ortho-substituted benzoic acids and their cyclisation products, have garnered significant attention, and multi-component reactions (MCRs) involving CO2, aryne and nucleophilic reagents have been extensively studied. This review highlights recent advancements in CO2 capture reactions utilising phenylalkyne reactive intermediates. Mechanistic insights into these reactions are provided together with prospects for further development in this field.

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Jiawei Huoxiang Zhengqi Pill (JHZP) is a commonly used Chinese patent medicine for the clinical treatment of headache, dizziness, chest tightness as well as abdominal distension, and pain caused by wind-cold flu. In this study, a comprehensive strategy combining ultra-high performance liquid chromatography with diode array detector (UHPLC-DAD) fingerprinting and multi-component quantitative analysis was established and validated for quality evaluation of JHZP. A total of 49 characteristic common peaks were selected in a chromatographic fingerprinting study to assess the similarity of 15 batches of JHZP. Furthermore, 109 compounds were identified or preliminarily identified from JHZP by coupling with an advanced hybrid linear ion trap-Orbitrap mass spectrometer. For quantification, the optimized ultra-performance liquid chromatography with tandem mass spectrometry (UPLC-MS/MS) method was employed for the simultaneous determination of 13 target compounds within 12 min. The sensitivity, precision, reproducibility, and accuracy of the method were satisfactory. This validated UPLC-MS/MS method was successfully applied to analyzing 15 batches of JHZP. The proposed comprehensive strategy combining UHPLC-DAD fingerprinting and multi-component UPLC-MS/MS analysis proved to be highly efficient, accurate, and reliable for the quality evaluation of JHZP, which can be considered as a reference for the overall quality evaluation of other Chinese herbal formulations.

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The growing interest in the use of building materials with a reduced carbon footprint was the aim of this research assessing the impact of four different types of low-emission cements on the properties of cement concretes used for the construction of local roads. This research work attempted to verify the strength characteristics and assess the durability of such solutions, which used the commonly used CEM I 42.5 R pure clinker cement and three multi-component cements: CEM II/A-V 42.5 R, CEM III/A 42.5 N-LH/HSR/NA, and CEM V/A S-V 42.5 N-LH/HSR/NA. Cement was used in a constant amount of 360 kg/m3, sand of 0/2 mm, and granite aggregate fractions of 2/8 and 8/16 mm. This research was carried out in two areas: the first concerned strength tests and the second focused on the area of assessing the durability of concrete in terms of frost resistance F150, resistance to de-icing agents, water penetration under pressure, and an analysis of the air entrainment structure in concrete according to the PN EN 480-11 standard. Analyzing the obtained test results, it can be concluded that the highest compressive strength of more than 70 MPa was obtained for CEM III concrete, 68 MPa for CEM V concrete, and the lowest for CEM I cement after 90 days. After the durability tests, it was found that the smallest decrease in compressive strength after 150 freezing and thawing cycles was obtained for CEM III (-0.9%) and CEM V (-1.4%) concretes. The high durability of concrete is confirmed by water penetration tests under pressure, because for newly designed recipes using CEM II, CEM III, and CEM V, water penetration from 17 mm to 18 mm was achieved, which proves the very high tightness of the concrete. The assessment of the durability of low-emission cements was confirmed by tests of resistance to de-icing agents and the aeration structure performed under a microscope in accordance with the requirements of the PN-EN 480-11 standard. The obtained analysis results indicate the correct structure and minimal spacing of air bubbles in the concrete, which confirms and guarantees the durability of concrete intended for road construction. Concretes designed using CEM V cement are characterized by a carbon footprint reduction of 36%, and for the mixture based on CEM III, we even observed a decrease of 39% compared to traditional concrete. Concrete using CEM II, CEM III, and CEM V cements can be successfully used for the construction of local roads. Therefore, it is necessary to consider changing the requirements of the technical specifications recommended for roads in Poland.

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A simple and efficient strategy has been developed for the synthesis of organic nitrate esters via visible-light-induced multi-component nitrooxylation reactions of α-diazoesters, cyclic ethers, and tert-butyl nitrite under open air atmosphere. This transformation could be conducted under mild and metal-free conditions to provide a number of organic nitrate esters in moderate to good yields using air as the green oxidant.

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PURPOSE: The primary problem with climbazole (CLB), a broad-spectrum imidazole antifungal drug, is its low water solubility. In order to increase its water solubility and antifungal activity, three new multi-component crystals were synthesized in this work, and the intermolecular interactions were systematically studied. This work helps to optimize the CLB product formulation and extend its application prospects. METHODS: In this work, three novel multi-component crystals, CLB-malonic acid (CLB-MA) salt, CLB-succinic acid (CLB-SA) cocrystal and CLB-adipic acid (CLB-AA) cocrystal, were successfully synthesized. And the crystal structure, thermodynamic properties, solubility, dissolution, hygroscopicity, and antifungal activity of the three multi-component crystals were fully characterized by single-crystal X-ray diffraction (SCXRD), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), dynamic water vapor adsorption (DVS) and powder dissolution tests, etc. The molecular interactions and molecular stacking in multi-component crystals were studied by Hirshfeld surface (HS), molecular surface electrostatic potential (MEP), interaction region indication (IRI) and atom and molecule (AIM) techniques. RESULTS: The results show that the three multi-component crystals have good moisture resistance stability, and their water solubility is 6-22 times that of pure CLB. Meanwhile, the measurement of the minimum inhibitory concentration (MIC) proves that the cocrystal/salt has a stronger antifungal activity than climbazole. Quantum chemistry calculations of crystal structure visualized and quantified the interactions that exist in multi-component crystals, and explored the microscopic mechanisms underlying the different performance of multi-component crystals.

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The presented work considers the influence of the hafnium and molybdenum to zirconium ratio of Ti20Ta20Nb20(HfMo)20-xZrx (where x = 0, 5, 10, 15, 20 at.%) high-entropy alloys in an as-cast state for potential biomedical applications. The current research continues with our previous results of hafnium's and molybdenum's influence on a similar chemical composition. In the presented study, the microstructure, selected mechanical properties, and corrosion resistance were investigated. The phase formation thermodynamical calculations were also applied to predict solid solution formation after solidification. The calculations predicted the presence of multi-phase, body-centred cubic phases, confirmed using X-ray diffraction and scanning electron microscopy. The chemical composition analysis showed the segregation of alloying elements. Microhardness measurements revealed a decrease in microhardness with increased zirconium content in the studied alloys. The corrosion resistance was determined in Ringer's solution to be higher than that of commercially applied biomaterials. The comparison of the obtained results with previously reported data is also presented and discussed in the presented study.