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ACS Applied Materials & Interfaces Jul 2024The efficient harnessing of solar power for water treatment via photocatalytic processes has long been constrained by the challenge of understanding and optimizing the...
The efficient harnessing of solar power for water treatment via photocatalytic processes has long been constrained by the challenge of understanding and optimizing the interactions at the photocatalyst surface, particularly in the presence of nontarget cosolutes. The adsorption of these cosolutes, such as natural organic matter, onto photocatalysts can inhibit the degradation of pollutants, drastically decreasing the photocatalytic efficiency. In the present work, computational methods are employed to predict the inhibitory action of a suite of small organic molecules during TiO photocatalytic degradation of -chlorobenzoic acid (CBA). Specifically, tryptophan, coniferyl alcohol, succinic acid, gallic acid, and trimesic acid were selected as interfering agents against CBA to observe the resulting competitive reaction kinetics via bulk and surface phase reactions according to Langmuir-Hinshelwood adsorption dynamics. Experiments revealed that trimesic and gallic acids were most competitive with CBA, followed by succinic acid. Density functional theory (DFT) and machine learning interatomic potentials (MLIPs) were used to investigate the molecular basis of these interactions. The computational findings showed that while the type of functional group did not directly predict adsorption affinity, the spatial arrangement and electronic interactions of these groups significantly influenced adsorption dynamics and corresponding inhibitory behavior. Notably, MLIPs, derived by fine-tuning models pretrained on a vastly larger dataset, enabled the exploration of adsorption behaviors over substantially longer periods than typically possible with conventional ab initio molecular dynamics, enhancing the depth of understanding of the dynamic interaction processes. Our study thus provides a pivotal foundation for advancing photocatalytic technology in environmental applications by demonstrating the critical role of molecular-level interactions in shaping photocatalytic outcomes.
PubMed: 38953235
DOI: 10.1021/acsami.4c02334 -
PeerJ 2024This study explored the utilization of luffa sponge (LS) in enhancing acetification processes. LS is known for having high porosity and specific surface area, and can...
BACKGROUND
This study explored the utilization of luffa sponge (LS) in enhancing acetification processes. LS is known for having high porosity and specific surface area, and can provide a novel means of supporting the growth of acetic acid bacteria (AAB) to improve biomass yield and acetification rate, and thereby promote more efficient and sustainable vinegar production. Moreover, the promising potential of LS and luffa sponge coated with κ-carrageenan (LSK) means they may represent effective alternatives for the co-production of industrially valuable bioproducts, for example bacterial cellulose (BC) and acetic acid.
METHODS
LS and LSK were employed as adsorbents for UMCC 2951 in a submerged semi-continuous acetification process. Experiments were conducted under reciprocal shaking at 1 Hz and a temperature of 32 °C. The performance of the two systems (LS-AAB and LSK-AAB respectively) was evaluated based on cell dry weight (CDW), acetification rate, and BC biofilm formation.
RESULTS
The use of LS significantly increased the biomass yield during acetification, achieving a CDW of 3.34 mg/L versus the 0.91 mg/L obtained with planktonic cells. Coating LS with κ-carrageenan further enhanced yield, with a CDW of 4.45 mg/L. Acetification rates were also higher in the LSK-AAB system, reaching 3.33 ± 0.05 g/L d as opposed to 2.45 ± 0.05 g/L d for LS-AAB and 1.13 ± 0.05 g/L d for planktonic cells. Additionally, BC biofilm formation during the second operational cycle was more pronounced in the LSK-AAB system (37.0 ± 3.0 mg/L, as opposed to 25.0 ± 2.0 mg/L in LS-AAB).
CONCLUSIONS
This study demonstrates that LS significantly improves the efficiency of the acetification process, particularly when enhanced with κ-carrageenan. The increased biomass yield, accelerated acetification, and enhanced BC biofilm formation highlight the potential of the LS-AAB system, and especially the LSK-AAB variant, in sustainable and effective vinegar production. These systems offer a promising approach for small-scale, semi-continuous acetification processes that aligns with eco-friendly practices and caters to specialized market needs. Finally, this innovative method facilitates the dual production of acetic acid and bacterial cellulose, with potential applications in biotechnological fields.
Topics: Carrageenan; Acetobacter; Biomass; Acetic Acid; Luffa; Adsorption; Cellulose; Biofilms
PubMed: 38952965
DOI: 10.7717/peerj.17650 -
RSC Advances Jun 2024Bimetallic metal-organic frameworks (MOFs) have shown more impressive performance in gas adsorption compared with monometallic MOFs. Herein, a Cu-Zn bimetallic...
Bimetallic metal-organic frameworks (MOFs) have shown more impressive performance in gas adsorption compared with monometallic MOFs. Herein, a Cu-Zn bimetallic metal-organic framework (Zn/Cu-BTC) was synthesized a one-pot method, and its structure, thermal stability and CO adsorption property were investigated and compared with those of corresponding monometallic Cu-BTC and Zn-BTC. The results showed that Zn/Cu-BTC has a specific ortho-octahedral crystal morphology with a unique X-ray diffraction peak, the atomic ratio of Zn to Cu is about 1 : 5, and it remained stable at a temperature up to 490 K. In Zn/Cu-BTC, Cu played a role in increasing the specific surface area and porosity of the MOF and improving the gas adsorption performance. The CO adsorption of Zn/Cu-BTC is lower than that of Cu-BTC but much higher than that of Zn-BTC, and CO adsorption heat was 30.52 kJ mol, which indicated physical adsorption. In addition, Zn/Cu-BTC had higher CO/N adsorption selectivity compared with Zn-BTC and Cu-BTC, with a maximum value of 17. This study can be a reference for the research on improving the adsorption selectivity of gases by constructing bimetallic MOFs.
PubMed: 38952934
DOI: 10.1039/d4ra03539a -
RSC Advances Jun 2024The adsorbent material humic acid-coated FeO nanoparticle-modified biochar from filamentous green algae was fabricated by introducing the composites of humic acid-coated...
The adsorbent material humic acid-coated FeO nanoparticle-modified biochar from filamentous green algae was fabricated by introducing the composites of humic acid-coated FeO nanoparticles onto biochar from filamentous green algae using the co-precipitation method. Then, the removal of U(vi) from solution by humic acid-FeO/BC was carried out through batch experiments. The results of the characterization showed that the reaction conditions had an important influence on U(vi) removal by humic acid-FeO/BC. The pseudo-second-order kinetic model and Langmuir model better illustrate the adsorption process of U(vi) on the surface of humic acid-FeO/BC. The adsorption processes were dominated by chemisorption and monolayer adsorption. The maximum adsorption capacity of U(vi) by humic acid-FeO/BC could be calculated, and it could reach 555.56 mg g. The probable mechanisms of U(vi) removal by humic acid-FeO/BC were reduction reaction, inner-sphere surface complexation and electrostatic adsorption. The high stability and reusability of humic acid-FeO/BC made it more promising in U(vi) removal applications.
PubMed: 38952931
DOI: 10.1039/d4ra03421j -
RSC Advances Jun 2024PEGylated gold nanoparticles (PEG-AuNPs) are widely used in drug delivery, imaging and diagnostics, therapeutics, and biosensing. However, the effect of PEG dispersity...
PEGylated gold nanoparticles (PEG-AuNPs) are widely used in drug delivery, imaging and diagnostics, therapeutics, and biosensing. However, the effect of PEG dispersity on the molecular weight ( ) distribution of PEG grafted onto AuNP surfaces has been rarely reported. This study investigates the effect of PEG dispersity on the distribution of PEG grafted onto AuNP surfaces and its subsequent impact on protein adsorption and pharmacokinetics, by modifying AuNPs with monodisperse PEG methyl ether thiols (mPEG -HS, = 36, 45) and traditional polydisperse mPEG2k-SH ( = 1900). Polydisperse PEG-AuNPs favor the enrichment of lower PEG fractions on their surface due to the steric hindrance effect, which leads to increased protein adsorption. In contrast, monodisperse PEG-AuNPs have a uniform length of PEG outlayer, exhibiting markedly lower yet constant protein adsorption. Pharmacokinetics analysis in tumor-bearing mice demonstrated that monodisperse PEG-AuNPs possess a significantly prolonged blood circulation half-life and enhanced tumor accumulation compared with their polydisperse counterpart. These findings underscore the critical, yet often underestimated, impacts of PEG dispersity on the and behavior of PEG-AuNPs, highlighting the role of monodisperse PEG in enhancing therapeutic nanoparticle performance.
PubMed: 38952930
DOI: 10.1039/d4ra03153a -
Avicenna Journal of Phytomedicine 2024Influenza complications are mild to serious, and can cause death in some cases. A great deal of attention has been paid in recent years to the development and use of new...
OBJECTIVE
Influenza complications are mild to serious, and can cause death in some cases. A great deal of attention has been paid in recent years to the development and use of new antiviral compounds to overcome drug resistance in certain strains of the influenza virus and treat the clinical implications. This study aimed to investigate the antiviral effect of punicalagin and its associated mechanism against influenza A (H1N1) virus .
MATERIALS AND METHODS
the ant-influenza activity of punicalagin was studied in Madin-Darby Canine Kidney (MDCK) cells using influenza virus A/Puerto Rico/8/34 (H1N1) (PR8) using Hemagglutinin assay (HA) and 50% tissue culture infective dose (TCID). Then, the inhibition of haemagglutination, virucidal activity, inhibitory effect at different times, replication of viral RNA and expression of viral genes were investigated.
RESULTS
Punicalagin could inhibit influenza virus infection with 50% inhibitory concentration (IC) of 3.98 μg/ml and selectivity index (SI) value of 6.1. Punicalagin decreased virus titers with an inhibitory effect on virus hemagglutination (p<0.05). Punicalagin also inhibited viral adsorption. The results of virus RNA replication and viral mRNA (NS1 and HA) expression after treatment with punicalagin showed significant suppression of viral mRNA expression but no effect on replication of viral RNA.
CONCLUSION
The results of the present study indicated that punicalagin was effective against influenza infection most probably via inhibition of haemagglutination activity and virus binding.
PubMed: 38952775
DOI: 10.22038/AJP.2023.23389 -
ACS Nano Jul 2024Potassium ion batteries (PIBs) are a viable alternative to lithium-ion batteries for energy storage. Red phosphorus (RP) has attracted a great deal of interest as an...
Potassium ion batteries (PIBs) are a viable alternative to lithium-ion batteries for energy storage. Red phosphorus (RP) has attracted a great deal of interest as an anode for PIBs owing to its cheapness, ideal electrode potential, and high theoretical specific capacity. However, the direct preparation of phosphorus-carbon composites usually results in exposure of the RP to the exterior of the carbon layer, which can lead to the deactivation of the active material and the production of "dead phosphorus". Here, the advantage of the π-π bond conjugated structure and high catalytic activity of metal phthalocyanine (MPc) is used to prepare MPc@RP/C composites as a highly stable anode for PIBs. It is shown that the introduction of MPc greatly improves the uneven distribution of the carbon layer on RP, and thus improves the initial Coulombic efficiency (ICE) of PIBs (the ICE of FePc@RP/C is 75.5% relative to 62.9% of RP/C). The addition of MPc promotes the growth of solid electrolyte interphase with high mechanical strength, improving the cycle stability of PIBs (the discharge-specific capacity of FePc@RP/C is 411.9 mAh g after 100 cycles at 0.05 A g). Besides, density functional theory theoretical calculations show that MPc exhibits homogeneous adsorption energies for multiple potassiation products, thereby improving the electrochemical reactivity of RP. The use of organic molecules with high electrocatalytic activity provides a universal approach for designing superior high-capacity, large-volume expansion anodes for PIBs.
PubMed: 38952325
DOI: 10.1021/acsnano.4c04344 -
Journal of the American Chemical Society Jul 2024Precise manipulation of the coordination configuration within substances can modulate the band structure and catalytic properties of the target material. Metal-covalent...
Precise manipulation of the coordination configuration within substances can modulate the band structure and catalytic properties of the target material. Metal-covalent organic frameworks (MCOFs), a crystal material amalgamating the benefits of metal-organic frameworks (MOFs) and covalent organic frameworks (COFs), can integrate a predetermined coordination environment into the frameworks for amplifying the catalytic effect. In this study, we delicately synthesize isomeric MCOFs using bis(glycinato)copper as the aminoligand via kinetically and thermodynamically favorable pathways to yield cis-MCOF and trans-MCOF products, respectively, thereby introducing a cis-trans isomeric coordination field into the framework. Moreover, the twisted skeleton derived from the flexibility of amino acid and β-ketoenamine linkages endows trans-MCOF with surprising water dispersibility. Compared to cis-MCOF, the trans isomerism displays a significant enhancement in cathodic electrochemiluminescence via the catalysis of Cu nodes toward KSO. The density of states analysis shows that the d-band center of trans-MCOF is closer to the Fermi level, leading to more stable adsorption binding to promote the catalysis. This study is the first report on constructing predesign coordination configuration MCOFs via an easy-handling method, which gives the guidelines for the design of amino acid-based MCOF materials.
PubMed: 38952302
DOI: 10.1021/jacs.4c02015 -
Langmuir : the ACS Journal of Surfaces... Jul 2024Agricultural solid waste has become one of the raw materials for hydrothermal carbon production, promoting resource utilization. This study synthesized two types of...
Agricultural solid waste has become one of the raw materials for hydrothermal carbon production, promoting resource utilization. This study synthesized two types of ball-milling carbons (Fe-MHBC vs MHBC) with and without FeCl modification using wheat straw hydrochars. Cr(VI) adsorption on these two types of ball-milling carbons was investigated. According to Langmuir's maximum adsorption capacity analysis, Fe-MHBC had a capacity of 116.29 mg g. The thermodynamic analysis based on isothermal adsorption reveals the spontaneous process of the reaction between the two materials. The adsorption of Cr(VI) on Fe-MHBC exhibited excellent agreement with the pseudo-second-order kinetics model. Furthermore, X-ray photoelectron spectroscopy analysis showed that Fe(II) in the material reduced Cr(VI) when it participated in the reaction. The acidic conditions facilitate the elimination of Cr(VI). The Fe-MHBC has a higher zeta potential, which enhances the electrostatic attraction of Cr(VI) particles. Even with a starting pH of 10, the removal rate can be consistently maintained at over 64%. The adsorption of Cr(VI) was inhibited by various anions and higher ion concentrations. Density functional theory demonstrates that the presence of Fe enhances the adsorption capacity and electron transfer flux of Cr(VI). Fe-MHBC effectively eliminates Cr(VI) by the process of electrostatic adsorption, redox, and complexation reactions. This study demonstrated that hydrochar materials modified by FeCl through a ball-milling process show considerable potential as effective adsorbents in the treatment of Cr(VI) pollution, offering a viable and environmentally friendly solution for mitigating this prevalent environmental issue.
PubMed: 38952283
DOI: 10.1021/acs.langmuir.4c00387 -
The Analyst Jul 2024This work presents a novel approach for the electrochemical detection of -nitrophenol (pNP) focusing on the development of a simple and efficient strategy to overcome...
This work presents a novel approach for the electrochemical detection of -nitrophenol (pNP) focusing on the development of a simple and efficient strategy to overcome pNP adsorption. The proposed method involves the functionalization of a silver (Ag) electrode with an electrografted, thin diazonium film. After characterization by electrochemical impedance spectroscopy (EIS) and cyclic voltammetry, the as-functionalized electrode allowed a wide linear detection range to be established in aqueous solutions, spanning from 1 to 500 μM pNP. This outcome indicates that the diazonium film effectively addresses any issues related to adsorption with good repeatability and reproducibility. Furthermore, the sensor's analytical performances were evaluated yielding a sensitivity and a limit of detection of 0.3819 μA cm μM and 600 nM, respectively. The sensor was also found to exhibit a good selectivity towards pNP and phenolic compounds and was successfully tested on a real water sample.
PubMed: 38952200
DOI: 10.1039/d4an00696h