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1.
Environ Technol ; : 1-11, 2024 Apr 15.
Artigo em Inglês | MEDLINE | ID: mdl-38619987

RESUMO

Coupling chemical oxidation and biodegradation to remediate polycyclic aromatic hydrocarbon (PAH)-contaminated sediment has recently gained significant attention. In this study, calcium peroxide nanoparticles (nCaO2) were utilized as an innovative oxygen-releasing compound for in-situ chemical oxidation. The study investigates the bioremediation of phenanthrene (PHE)-contaminated sediment inoculated with Sphingomonas sp. DSM 7526 bacteria and treated with either aeration or nCaO2. Using three different culture media, the biodegradation efficiencies of PHE-contaminated anoxic sediment, aerobic sediment, and sediment treated with 0.2% w/w nCaO2 ranged from 57.45% to 63.52%, 69.87% to 71.00%, and 92.80% to 94.67%, respectively. These values were significantly higher compared to those observed in non-inoculated sediments. Additionally, the type of culture medium had a prominent effect on the amount of PHE removal. The presence of minerals in the culture medium increased the percentage of PHE removal compared to distilled water by about 2-10%. On the other hand, although the application of CaO2 nanoparticles negatively impacted the abundance of sediment bacteria, resulting in a 30-42% decrease in colony-forming units after 30 days of treatment, the highest PHE removal was obtained when coupling biodegradation and chemical oxidation. These findings demonstrate the successful application of bioaugmentation and chemical oxidation processes for treating PAH-contaminated sediment.

2.
ACS Appl Mater Interfaces ; 16(15): 18459-18473, 2024 Apr 17.
Artigo em Inglês | MEDLINE | ID: mdl-38578815

RESUMO

Reactive oxygen species (ROS)-involved photodynamic therapy (PDT) and chemodynamic therapy (CDT) hold great promise for tumor treatment. However, hypoxia, insufficient H2O2, and overexpressed glutathione (GSH) in the tumor microenvironment (TME) hinder ROS generation significantly. Herein, we reported CaO2@Cu-TCPP/CUR with O2/H2O2/Ca2+ self-supply and GSH depletion for enhanced PDT/CDT and Ca2+ overload synergistic therapy. CaO2 nanospheres were first prepared and used as templates for guiding the coordination between the carboxyl of tetra-(4-carboxyphenyl)porphine (TCPP) and Cu2+ ions as hollow CaO2@Cu-TCPP, which facilitated GSH-activated TCPP-based PDT and Cu+-mediated CDT. The hollow structure was then loaded with curcumin (CUR) to form CaO2@Cu-TCPP/CUR composites. Cu-TCPP prevented degradation of CaO2, while Cu2+ ions reacted with GSH to deplete GSH, produce Cu+ ions, and release TCPP, CaO2, and CUR. CaO2 reacted with H2O to generate O2, H2O2, and Ca2+ to achieve O2/H2O2/Ca2+ self-supply for TCPP-based PDT, Cu+-mediated CDT, and CUR-enhanced Ca2+ overload therapy. Thus, this multilevel ROS amplifier enhances synergistic therapy with fewer side effects and drug resistance.


Assuntos
Curcumina , Nanosferas , Neoplasias , Fotoquimioterapia , Humanos , Espécies Reativas de Oxigênio , Peróxido de Hidrogênio , Glutationa , Microambiente Tumoral , Linhagem Celular Tumoral , Oxigênio
3.
Sci Total Environ ; 927: 172159, 2024 Apr 03.
Artigo em Inglês | MEDLINE | ID: mdl-38575032

RESUMO

Sediment contamination by heavy metals is a pressing environmental concern. While in situ metal stabilization techniques have shown promise, a great challenge remains in the simultaneous immobilization of multi-metals co-existing in contaminated sediments. This study aims to address this challenge by developing a practical method for stabilizing multi-metals by hydroxyapatite and calcium peroxide (HAP/CaO2) dosing strategies. Results showed that dosing 15.12 g of HAP/CaO2 at a ratio of 3:1 effectively transformed labile metals into stable fractions, reaching reaction kinetic equilibrium within one month with a pseudo-second-order kinetic (R2 > 0.98). The stable fractions of Nickel (Ni), Chromium (Cr), and lead (Pb) increased by approximately 16.9 %, 26.7 %, and 21.9 %, respectively, reducing heavy metal mobility and ensuring leachable concentrations complied with the stringent environmental Class I standard. Mechanistic analysis indicated that HAP played a crucial role in Pb stabilization, exhibiting a high rate of 0.0176 d-1, while Cr and Ni stabilization primarily occurred through the formation of hydroxide precipitates, as well as the slowly elevated pH (>8.5). Importantly, the proposed strategy poses a minimal environmental risk to benthic organisms exhibits almost negligible toxicity towards Vibrio fischeri and the Chironomus riparius, and saves about 71 % of costs compared to kaolinite. These advantages suggest the feasibility of HAP/CaO2 dosing strategies in multi-metal stabilization in contaminated sediments.

4.
Int J Mol Sci ; 25(7)2024 Mar 22.
Artigo em Inglês | MEDLINE | ID: mdl-38612389

RESUMO

Alkaline earth metal oxide (MgO, CaO, SrO) catalysts supported on BEA zeolite were prepared by a wet impregnation method and tested in the transesterification reaction of rapeseed oil with methanol towards the formation of biodiesel (FAMEs-fatty acid methyl esters). To assess the influence of the SiO2/Al2O3 ratio on the catalytic activity in the tested reaction, a BEA zeolite carrier material with different Si/Al ratios was used. The prepared catalysts were tested in the transesterification reaction at temperatures of 180 °C and 220 °C using a molar ratio of methanol/oil reagents of 9:1. The transesterification process was carried out for 2 h with the catalyst mass of 0.5 g. The oil conversion value and efficiency towards FAME formation were determined using the HPLC technique. The physicochemical properties of the catalysts were determined using the following research techniques: CO2-TPD, XRD, BET, FTIR, and SEM-EDS. The results of the catalytic activity showed that higher activity in the tested process was confirmed for the catalysts supported on the BEA zeolite characterized by the highest silica/alumina ratio for the reaction carried out at a temperature of 220 °C. The most active zeolite catalyst was the 10% CaO/BEA system (Si/Al = 300), which showed the highest triglyceride (TG) conversion of 90.5% and the second highest FAME yield of 94.6% in the transesterification reaction carried out at 220 °C. The high activity of this system is associated with its alkalinity, high value of the specific surface area, the size of the active phase crystallites, and its characteristic sorption properties in relation to methanol.


Assuntos
Biocombustíveis , Zeolitas , Óxido de Magnésio , Metanol , Óleo de Brassica napus , Dióxido de Silício , Ácidos Graxos , Óxidos
5.
Environ Technol ; : 1-12, 2024 Mar 25.
Artigo em Inglês | MEDLINE | ID: mdl-38525909

RESUMO

Heat pump drying is a low-carbon method of sludge drying. The operating temperature of a heat pump is generally not more than 70℃. To improve the drying efficiency of heat pump dryers, the effects of air parameters and additives on sludge drying characteristics at low temperatures were studied. The sludge drying experiments were conducted at an air temperature 50-70℃ and an air velocity of 0.5-1.7 m/s. The experimental results showed that the increase of air temperature, velocity and the addition ratio of additives can accelerate the sludge drying process. The average and maximum drying rates of sludge pre-conditioned by CaO and sawdust increased by 14.23% and 25.71%, respectively, compared with those of pure sludge. The two-way analysis of variance (ANOVA) revealed that the influence of air temperature on the sludge drying was higher than that of air velocity. Five reference models were fitted by the drying experiment data. The Page model has the highest R2, so it is the most suitable model to predict the drying time of sludge at low temperatures.

6.
Environ Sci Pollut Res Int ; 31(14): 21224-21234, 2024 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-38388973

RESUMO

Sintering and elutriation are two main problems of the calcium looping process for high-temperature CO2 capture. In the process of CO2 capture, the operation temperature is generally higher than the Taman temperature, resulting in the agglomeration and sintering of the sorbents. The traditional sorbent powers need to be granulated for practical application in a circulating fluidized bed to avoid elutriation. By using a new agar-assisted technology to granulate CaO powder incorporated with Mg, Y, and Ce inert supports, the problems of sintering and elutriation can be mitigated within one step. The incorporated inert supports are uniformly dispersed in the CaO/CaCO3 particles as an inert scaffold, and the inert scaffold is used as a skeleton to resist sintering, alleviate its agglomeration phenomenon, and keep the specific surface area to a certain extent. The Ce-incorporated CaO pellets have been proven to exhibit the best carbonation conversion and sorption capacity. The sorption capacity of 10% CeO2-incorporated CaO pellets reached 0.574 g CO2/g sorbent, more than 43% higher than that of the pure CaO pellets. In addition, the effects of the solid-liquid ratio during the preparation stage on CO2 performance were also investigated, demonstrating that a solid-liquid ratio of 1:5 was the optimal ratio to produce satisfying sorbents. The mitigated sintering and achieved spherical CaO pellets greatly promote the practical application of the calcium looping process for CO2 capture.


Assuntos
Dióxido de Carbono , Óxidos , Cálcio , Compostos de Cálcio , Temperatura
7.
Molecules ; 29(3)2024 Jan 31.
Artigo em Inglês | MEDLINE | ID: mdl-38338403

RESUMO

This research constructed a novel O3/CaO2/HCO3- system to degrade antibiotic oxytetracycline (OTC) in water. The results indicated that CaO2 and HCO3- addition could promote OTC degradation in an O3 system. There is an optimal dosage of CaO2 (0.05 g/L) and HCO3- (2.25 mmol/L) that promotes OTC degradation. After 30 min of treatment, approximately 91.5% of the OTC molecules were eliminated in the O3/CaO2/HCO3- system. A higher O3 concentration, alkaline condition, and lower OTC concentration were conducive to OTC decomposition. Active substances including ·OH, 1O2, ·O2-, and ·HCO3- play certain roles in OTC degradation. The production of ·OH followed the order: O3/CaO2/HCO3- > O3/CaO2 > O3. Compared to the sole O3 system, TOC and COD were easier to remove in the O3/CaO2/HCO3- system. Based on DFT and LC-MS, active species dominant in the degradation pathways of OTC were proposed. Then, an evaluation of the toxic changes in intermediates during OTC degradation was carried out. The feasibility of O3/CaO2/HCO3- for the treatment of other substances, such as bisphenol A, tetracycline, and actual wastewater, was investigated. Finally, the energy efficiency of the O3/CaO2/HCO3- system was calculated and compared with other mainstream processes of OTC degradation. The O3/CaO2/HCO3- system may be considered as an efficient and economical approach for antibiotic destruction.


Assuntos
Oxitetraciclina , Poluentes Químicos da Água , Poluentes Químicos da Água/toxicidade , Antibacterianos/farmacologia , Água , Tetraciclina
8.
Environ Sci Pollut Res Int ; 31(7): 11321-11333, 2024 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-38217813

RESUMO

A large amount of open-dumped electrolytic manganese residue (EMR) has posed a severe threat to the ecosystem and public health due to the leaching of ammonia (NH4+) and manganese (Mn). In this study, CaO addition coupled with low-temperature roasting was applied for the treatment of EMR. The effects of roasting temperature, roasting time, CaO-EMR mass ratio and solid-liquid ratio were investigated. The most cost-effective and practically viable condition was explored through response surface methodology. At a CaO: EMR ratio of 1:16.7, after roasting at 187 °C for 60 min, the leaching concentrations of NH4+ and Mn dropped to 10.18 mg/L and 1.05 mg/L, respectively, below their discharge standards. In addition, the magnesium hazard (MH) of EMR, which was often neglected, was studied. After treatment, the MH of the EMR leachate was reduced from 60 to 37. Mechanism analysis reveals that roasting can promote NH4+ to escape as NH3 and convert dihydrate gypsum to hemihydrate gypsum. Mn2+ and Mg2+ were mainly solidified as MnO2 and Mg(OH)2, respectively. This study proposes an efficient and low-cost approach for the treatment of EMR and provides valuable information for its practical application.


Assuntos
Amônia , Manganês , Manganês/química , Amônia/análise , Magnésio , Compostos de Manganês/química , Sulfato de Cálcio , Temperatura , Ecossistema , Óxidos/química , Eletrólitos/química
9.
Comb Chem High Throughput Screen ; 27(1): 90-100, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-37190798

RESUMO

INTRODUCTION: Fu-Fang-Jin-Qian-Cao is a Chinese herbal preparation used to treat urinary calculi. Fu-Fang-Jin-Qian-Cao can protect renal tubular epithelial cells from calcium oxalateinduced renal injury by inhibiting ROS-mediated autopathy. The mechanism still needs further exploration. Metabonomics is a new subject; the combination of metabolomics and network pharmacology can find pathways for drugs to act on targets more efficiently. METHODS: Comprehensive metabolomics and network pharmacology to study the mechanism of Fu-Fang-Jin-Qian-Cao inhibiting autophagy in calcium oxalate-induced renal injury. Based on UHPLC-Q-TOF-MS, combined with biochemical analysis, a mice model of Calcium oxalateinduced renal injury was established to study the therapeutic effect of Fu-Fang-Jin-Qian-Cao. Based on the network pharmacology, the target signaling pathway and the protective effect of Fu- Fang-Jin-Qian-Cao on Calcium oxalate-induced renal injury by inhibiting autophagy were explored. Autophagy-related proteins LC3-II, BECN1, ATG5, and ATG7 were studied by immunohistochemistry. RESULTS: Combining network pharmacology and metabolomics, 50 differential metabolites and 2482 targets related to these metabolites were found. Subsequently, the targets enriched in PI3KAkt, MAPK and Ras signaling pathways. LC3-II, BECN1, ATG5 and ATG7 were up-regulated in Calcium oxalate-induced renal injury. All of them could be reversed after the Fu-Fang-Jin-Qian- Cao treatment. CONCLUSIONS: Fu-Fang-Jin-Qian-Cao can reverse ROS-induced activation of the MAPK signaling pathway and inhibition of the PI3K-Akt signaling pathway, thereby reducing autophagy damage of renal tubular epithelial cells in Calcium oxalate-induced renal injury.


Assuntos
Oxalato de Cálcio , Medicamentos de Ervas Chinesas , Camundongos , Animais , Oxalato de Cálcio/metabolismo , Oxalato de Cálcio/farmacologia , Cálcio/metabolismo , Cromatografia Líquida de Alta Pressão , Farmacologia em Rede , Fosfatidilinositol 3-Quinases/metabolismo , Espécies Reativas de Oxigênio/metabolismo , Rim/metabolismo , Autofagia , Medicamentos de Ervas Chinesas/farmacologia , Medicamentos de Ervas Chinesas/metabolismo
10.
Chemosphere ; 349: 140955, 2024 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-38104737

RESUMO

The activation of peroxymonosulfate (PMS) has gained significant interest in the removal of organic pollutants. However, traditional methods usually suffer from drawbacks such as secondary contamination and high energy requirements. In this study, we propose a green and cost-effective approach utilizing calcium oxide (CaO) to activate PMS, aiming to construct a simple and reliable PMS based advanced oxidation processes (AOPs). The proposed CaO/PMS system achieved fast degradation of methylene blue (MB), where the degradation rate of CaO/PMS system (0.24 min-1) was nearly 2.67 times that of PMS alone (0.09 min-1). Under the optimized condition, CaO/PMS system exhibited remarkable durability against pH changes, co-exists ions or organic matters. Furthermore, singlet oxygen (1O2) was identified as the dominant reactive oxygen species by electron paramagnetic resonance (EPR) and quenching tests. Accordingly, the degradation pathways of MB are proposed by combing the results of LC/MS analysis and density functional theory (DFT) calculations, and the predicted ecotoxicity of the generated byproducts evaluated by EOCSAR could provide systematic insights into the fates and environmental risks of MB. Overall, the study provides an eco-friendly and effective strategy for treating dyeing wastewater, which should shed light on the application of PMS based AOPs.


Assuntos
Azul de Metileno , Peróxidos , Compostos de Cálcio
11.
J Ethnopharmacol ; 323: 117662, 2024 Apr 06.
Artigo em Inglês | MEDLINE | ID: mdl-38160866

RESUMO

ETHNOPHARMACOLOGICAL RELEVANCE: Psoriasis is a chronic inflammation and relapsing disease that affected approximately 100 million individuals worldwide. In previous clinical study, it was observed that the topical application of Si Cao Formula (SCF) ameliorated psoriasis skin lesions and reduced the recurrence rate of patients over a period of three months. However, the precise mechanism remains unclear. AIM OF THE STUDY: The objective of this study was to assess the effectiveness and safety of SCF in patients diagnosed with psoriasis and explore the molecular mechanisms that contribute to SCF's therapeutic efficacy in psoriasis treatment. MATERIALS AND METHODS: A randomized, controlled, and pilot clinical study was performed. This study assessed 30 individuals diagnosed with mild to moderate plaque psoriasis. 15 of them underwent local SCF treatment, the others received calcipotriol intervention. The outcome measure focused on Psoriasis Area and Severity Index (PASI), Dermatology Life Quality Index (DLQI), and recurrence rate. In addition, IMQ-induced psoriasis-like mice model were used to assess the impact of SCF on ameliorating epidermal hyperplasia, suppressing angiogenesis, and modulating immune response. Furthermore, we performed bioinformatics analysis on transcriptome data obtained from skin lesions of mice model. This analysis allowed us to identify the targets and signaling pathways associated with the action of SCF. Subsequently, we conducted experimental validation to confirm the core targets. RESULTS: Our clinical pilot study demonstrated that SCF could ameliorate skin lesions in psoriasis patients with comparable efficacy of calcipotriol in drop of PASI and DLQI scores. SCF exhibited a significantly reduced recurrence rate within 12 weeks (33.3%). Liquid Chromatography Mass Spectrometry (LC-MS) identified 41 active constituents of SCF (26 cations and 15 anions). Animal experiments showed SCF ameliorates the skin lesions of IMQ-induced psoriasis like mice model and suppresses epidermal hyperkeratosis and angiogenesis. There were 845 up-regulated and 764 down-regulated DEGs between IMQ and IMQ + SCF groups. GO analysis revealed that DEGs were linked to keratinization, keratinocyte differentiation, organic acid transport epidermal cell differentiation, and carboxylic acid transport interferon-gamma production. KEGG pathway analysis showed that SCF may play a vital part through IL-17 and JAK/STAT signaling pathway. In addition, SCF could reduce the number of positive cells expressing PCNA, CD31, pSTAT3, CD3, and F4/80 within the epidermis of psoriatic lesions, as well as the expression of Il-17a and Stat3 in IMQ-induced psoriasis mice. CONCLUSIONS: Our research suggests that SCF serves as a reliable and efficient local approach for preventing and treating psoriasis. The discovery of plausible molecular mechanisms and therapeutic targets associated with SCF may support its broad implementation in clinical settings.


Assuntos
Recidiva Local de Neoplasia , Psoríase , Humanos , Animais , Camundongos , Projetos Piloto , Imiquimode , Psoríase/patologia , Inflamação/tratamento farmacológico , Modelos Animais de Doenças , Pele/patologia , Camundongos Endogâmicos BALB C
12.
Molecules ; 28(23)2023 Nov 30.
Artigo em Inglês | MEDLINE | ID: mdl-38067587

RESUMO

The co-gasification of biomass and coal is helpful for achieving the clean and efficient utilization of phosphorus-rich biomass. A large number of alkali and alkaline earth metals (AAEMs) present in the ash system of coal (or biomass) cause varying degrees of ash, slagging, and corrosion problems in the entrained flow gasifier. Meanwhile, phosphorus is present in the slag in the form of PO43-, which has a strong affinity for AAEMs (especially for Ca2+) to produce minerals dominated by calcium phosphates or alkaline Ca-phosphate, effectively mitigating the aforementioned problems. To investigate the changing behavior of the slag flow temperature (FT) under different CaO/P2O5 ratios, 72 synthetic ashes with varying CaO/P2O5 ratios at different Si/Al contents and compositions were prepared, and their ash fusion temperatures were tested. The effects of different CaO/P2O5 ratios on the FT were analyzed using FactSage thermodynamic simulation. A model for predicting slag FT at different CaO/P2O5 ratios was constructed on the basis of the average molar ionic potential (Ia) method and used to predict data reported from 19 mixed ashes in the literature. The results showed that Ia and FT gradually increased with a decreasing CaO/P2O5 ratio, and the main mineral types shifted from anorthite → mullite → berlinite, which reasonably explained the decrease in ash fusion temperatures in the mixed ash. The established model showed good adaptability to the prediction of 19 actual coal ash FTs in the literature; the deviation of the prediction was in the range of 40 °C. The model proposed between FT and Ia based on the different CaO/P2O5 ratios can be used to predict the low-rank coal and phosphorus-rich biomass and their mixed ashes.

13.
Front Cardiovasc Med ; 10: 1270782, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-38111894

RESUMO

The chimney technique has been utilized to minimize the risk of coronary artery obstruction during valve-in-valve procedures. Here, we present a case involving an 89-year-old female patient with low coronary ostia, severe aortic regurgitation, and intractable heart decompensation caused by degenerated aortic bioprosthesis. The patient underwent a successful transcatheter aortic valve implantation procedure using the chimney technique in both coronary ostia.

14.
Molecules ; 28(24)2023 Dec 15.
Artigo em Inglês | MEDLINE | ID: mdl-38138591

RESUMO

The presence of calcium-containing molten salts in the electrolysis of oxides for metal production can lead to the formation of CaO and, subsequently, the generation of intermediate products, affecting the reduction of metals. To investigate the impact of CaO on the reduction process, experiments were conducted using a Fe2O3-CaO cathode and a graphite anode in a NaCl-CaCl2 molten salt electrolyte at 800 °C. The electrochemical reduction kinetics of the intermediate product Ca2Fe2O5 were studied using cyclic voltammetry and I-t curve analysis. The phase composition and morphology of the electrolysis products were analyzed using XRD, SEM-EDS, and XPS. The experimental results demonstrate that upon addition of CaO to the Fe2O3 cathode, Ca2Fe2O5 is formed instantly in the molten salt upon the application of an electrical current. Research conducted at different voltages, combined with electrochemical analysis, indicates that the reduction steps of Ca2Fe2O5 in the NaCl-CaCl2 molten salt are as follows: Ca2Fe2O5 ⟶ Fe3O4 ⟶ FeO ⟶ Fe. The presence of CaO accelerates the electrochemical reduction rate, promoting the formation of Fe. At 0.6 V and after 600 min of electrolysis, all of the Ca2Fe2O5 is converted into Fe, coexisting with CaCO3. With an increase in the electrolysis voltage, the electrolysis product Fe particles visibly grow larger, exhibiting pronounced agglomeration effects. Under the conditions of a 1 V voltage, a study was conducted to investigate the influence of time on the reduction process of Ca2Fe2O5. Gradually, it resulted in the formation of CaFe3O5, CaFe5O7, FeO, and metallic Fe. With an increased driving force, one gram of Fe2O3-CaO mixed oxide can completely turn into metal Fe by electrolysis for 300 min.

15.
Stud Health Technol Inform ; 308: 396-403, 2023 Nov 23.
Artigo em Inglês | MEDLINE | ID: mdl-38007765

RESUMO

Primary splenic angiosarcoma is a very rare disease that causes the development of malignant tumors in the vascular endothelium of the splenic sinuses. Moreover, the disease maintains a very low survival rate for patients to live over 5 years, which is relatively low when compared to another splenic cancer, splenic lymphomas. The treatment options for splenic angiosarcoma narrow down to surgical removal or radiation combined with chemotherapy, but both cost a lot, so discovering potential alternative treatments may eventually increase the possible survival rate. Ginseng and Zhi Gan Cao are both common herbs in Traditional Chinese Medicine (TCM); however, the price of Ginseng is much higher than that of Zhi Gan Cao. A possible reason could be the frequent studies and researches over Ginseng's active ingredient, ginsenoside rh2 or rg3 as they are both potent cancer treatments. The reason to study Zhi Gan Cao and predict its possible potential in cancer treatment is due to the similarity between its active ingredient and the active ingredient in Ginseng, namely, ginsenoside rh2 and licorice saponins. Both TCM contain the active ingredient, triterpenoid saponin, as their main composition, and the further text will predict the possible research and results that may be taken in vitro to reveal the question of whether licorice saponin has the potential to become a major treatment for splenic angiosarcoma or not.


Assuntos
Glycyrrhiza uralensis , Hemangiossarcoma , Saponinas , Neoplasias Esplênicas , Humanos , Medicina Tradicional Chinesa , Neoplasias Esplênicas/tratamento farmacológico , Hemangiossarcoma/tratamento farmacológico , Fatores de Crescimento do Endotélio Vascular
16.
ACS Appl Mater Interfaces ; 15(48): 55903-55915, 2023 Dec 06.
Artigo em Inglês | MEDLINE | ID: mdl-37996252

RESUMO

Selective hydrogenation of α,ß-unsaturated aldehydes into unsaturated alcohols is a process in high demand in organic synthesis, pharmaceuticals, and food production. This process requires the precise hydrogenation of C═O bonds, a challenge that requires a tailored catalyst. Single-atom alloys (SAAs), where individual atoms of one metal are distributed in a host metal matrix, offer a potential solution to this challenge. Nevertheless, identifying the appropriate SAA capable of targeted adsorption and the efficient activation of C═O bonds remains a substantial hurdle. In this work, we synergistically combine density functional theory (DFT) calculations, active learning, and microkinetic simulations to design SAAs for the efficient and selective hydrogenation of α,ß-unsaturated aldehydes. We first comprehensively assessed the potential of 66 SAAs across 264 surfaces (including (100), (110), (111), and (320) crystal planes), to gauge their potential in activating C═C and C═O bonds. Our assessment unveiled the excellent selectivity of the Ti1Au SAA in activating C═O bonds. Moreover, our detailed DFT calculations further demonstrated the high catalytic activity of Ti1Au(320) and Ti1Au(111) surfaces with a low activation energy barrier of only 0.60 eV. Subsequently, we conducted microkinetic simulations on the selective hydrogenation process of crotonaldehyde, by selecting Ti1Au (320) and (111) surfaces as the catalysts and demonstrated that they exhibited a remarkable selectivity and nearly 100% conversion toward crotyl alcohol in the temperature range from 373 to 553 K. The present study not only reveals novel SAAs for targeted hydrogenation of α,ß-unsaturated aldehydes but also establishes a promising path toward efficient design of selective hydrogenation catalysts more broadly.

17.
Environ Sci Pollut Res Int ; 30(51): 110981-110994, 2023 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-37798519

RESUMO

Reducing CO2 emissions from industrial sectors and motor vehicles is currently receiving much attention. There are different strategies for CO2 capture, one of which is using calcium oxide (CaO). In our proposed carbon dioxide cycle, limestone is first calcined to get CaO, which is then used to capture CO2 by converting it to CaCO3. Next, the released CO2 could be converted to different organic matter by different sequestration techniques. For this purpose, CaCO3 discs have been prepared by compression molding to investigate the effect of sintering temperature on the mechanical and chemical properties of CaO carbonation reaction. The aim of this work is to fill the knowledge gap for the effect of the contact profile between CO2 gas and CaO disc, particularly the effect of reducing the void fraction of CaO on the rate of carbonation reaction. It was found that the flexural strength of the CaO discs was influenced by several factors, such as the calcination temperature, duration of calcination, and pressing pressure. The carbonation step indicated that both CO2 and H2O are reacting with CaO simultaneously and progressively, with the progressive reaction of H2O and CO2 being a favorable route. The carbonation process happens as a surface reaction-controlled process followed by a slower internal diffusion-controlled process. Additionally, a kinetic study of the competing reactions indicated that two factors are controlling the process: diffusion of gases through the pores and then the reaction rate. Furthermore, our data showed that the CO2 uptake rate was 1352.34 mg/g CaO, indicating that 566.34 mg of CO2 was adsorbed inside the pores of the CaO disc. Based on these results, we propose a new mechanism of the sequence of the competing reactions. In summary, the CaO discs revealed a significant removal of CO2 from stack gases, which will be suitable for removing CO2 from exhaust gases generated by industrial processes and other sources of emissions such as vehicles and ships.


Assuntos
Dióxido de Carbono , Óxidos , Dióxido de Carbono/química , Pós , Óxidos/química , Compostos de Cálcio/química , Carbonatos
18.
Materials (Basel) ; 16(19)2023 Sep 29.
Artigo em Inglês | MEDLINE | ID: mdl-37834623

RESUMO

China's 2022 crude steel production soared to an impressive 1.018 billion tons, and steel slag constituted approximately 10% to 15% of this massive output. However, a notable hindrance to the comprehensive utilization of steel slag arises from the fact that it contains 10% to 20% of free calcium oxide (f-CaO), resulting in volume instability. To address this challenge, our study delved into the dynamic transformation of the interface between lime and slag, as well as the fluctuations in the dissolution rate of lime. An Electron Probe Micro Analyzer, equipped with an energy-dispersive spectrometer, was employed for the analysis. Our findings revealed that the configuration of the reaction interface between quicklime and slag underwent alterations throughout various phases of converter smelting. At a temperature of 1400 °C, several significant transformations occurred, including the formation of a CaO-FeO solid solution, (Ca, Mg, Fe) olivine, and low-melting point (Ca, Mg) silicate minerals. With the gradual reduction in FeO content, a robust and high-melting 2CaO·SiO2 layer emerged, generated through the interaction between CaO and (Ca, Mg, Fe) olivine. Furthermore, for lime with a particle size of 20 mm and a calcination rate of 0%, the thickest layer of 2CaO·SiO2 was observed after 120 s of dissolution in slag A2 at 1400 °C. Overall, the dissolution rates of lime with different particle sizes in slag A1 to A4 showed a gradual increase. On the other hand, the dissolution rates of lime with different calcination rates in slag A1 to A4 exhibited an initial increase, followed by a decrease, and then another increase. The formation of a high-melting point and continuous dense 2CaO·SiO2 layer during the dissolution process hindered the mass transfer between lime and slag.

19.
Artigo em Inglês | MEDLINE | ID: mdl-37821733

RESUMO

In the present research work, artificial neural network (ANN) is used to model the performance and emission parameters in a four-stroke, single-cylinder diesel engine combusting a blended fuel of diesel and catalytic co-pyrolysis oil produced from seeds of Pongamia pinnata, waste LDPE, and calcium oxide catalyst. The optimum yield of oil obtained was 92.5% at 500 °C temperature. Physical properties of the obtained oil, such as calorific value (44.85 MJ/kg) and density (797 kg/m3), level it by that of diesel while the flash point and fire point were found to be lower than that of pure diesel. An ANN model was then generated for the prediction of performance characteristics (BTE and BSFC) and emission characteristics (NOx and smoke) under varying loads, braking power, brake mean effective pressure, and torque as inputs using the Levenberg-Marquardt back-propagation training technique. The regression coefficients (R2) for BTE, BSFC, smoke, and NOx predictions were determined to be close to unity at 0.99859, 0.99814, 0.96129, and 0.92505, respectively (all values being close to unity). It has been discovered that ANN makes an effective simulation and prediction tool for blended fuels in CI engines. It is also suggested to predict the mechanical efficiency, volumetric efficiency, and CO, CO2, HC emissions using ANN in its future work.

20.
ACS Appl Mater Interfaces ; 15(36): 42965-42980, 2023 Sep 13.
Artigo em Inglês | MEDLINE | ID: mdl-37656022

RESUMO

Titanium-based implants often lead to premature implant failure due to the lack of antimicrobial, osteogenic, and angiogenic properties. To this end, a new strategy was developed to fabricate CaO2@ZIF-67-HA-ADH coating on titanium surfaces by combining calcium peroxide (CaO2) nanoparticles, zeolite imidazolate framework-67 (ZIF-67), and the chemical coupling hyaluronic acid-adipic acid dihydrazide (HA-ADH). We characterized CaO2@ZIF-67-HA-ADH with scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transform infrared (FTIR) spectroscopy, X-ray photoelectron spectroscopy (XPS), and inductively coupled plasma-atomic emission spectrometry (ICP-AES). The results demonstrated that CaO2@ZIF-67-HA-ADH was pH-sensitive and decomposed rapidly under acidic conditions, and it released inclusions slowly under neutral conditions. Antibacterial experiments showed that the CaO2@ZIF-67-HA-ADH coating had excellent antibacterial properties and effectively killed methicillin-resistant Staphylococcus aureus (MRSA) and Pseudomonas aeruginosa (PAO-1). Cell experiments revealed that the CaO2@ZIF-67-HA-ADH coating promoted pro-osteoblast adhesion, proliferation, and differentiation and also promoted the migration and angiogenesis of human umbilical vein endothelial cells (HUVECs), exhibiting excellent osteogenic and angiogenic properties. In in vivo animal implantation experiments, the CaO2@ZIF-67-HA-ADH coating exhibited strong antimicrobial activity early after implantation and excellent osseointegration later after implantation. In conclusion, the pH-responsive CaO2@ZIF-67-HA-ADH coating conferred excellent antibacterial, osteogenic, and angiogenic properties to titanium implants, which effectively enhanced osseointegration of the implants and prevented bacterial infection; the coating shows promise for use in the treatment of bone defects.


Assuntos
Anti-Infecciosos , Staphylococcus aureus Resistente à Meticilina , Zeolitas , Animais , Humanos , Ácido Hialurônico , Titânio/farmacologia , Anti-Infecciosos/farmacologia , Antibacterianos/farmacologia , Células Endoteliais da Veia Umbilical Humana , Concentração de Íons de Hidrogênio
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