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1.
Biomed Eng Lett ; 14(5): 1087-1111, 2024 Sep.
Artículo en Inglés | MEDLINE | ID: mdl-39220019

RESUMEN

Microelectrode arrays (MEAs) enable simultaneous measurement of spike trains from numerous neurons, owing to advancements in microfabrication technology. These probes are highly valuable for comprehending the intricate dynamics of neuronal networks. Spike sorting is a pivotal step in comprehensively analyzing the activity of neuronal networks from extracellular recordings. However, the accuracy of spike sorting is relatively low due to the dense sampling of spikes in MEAs. Here, we propose an unsupervised pipeline named UMAP-COM method, which utilizes combined features to address this problem. These combined features comprise dominant spike shape features extracted by the uniform manifold approximation and projection (UMAP), as well as spike locations estimated by the center of mass (COM). We validate the UMAP-COM method on publicly available datasets from different kinds of probes, demonstrating that it is more accurate than other spike sorting methods. Furthermore, we conduct separate evaluations of spike shape feature extraction methods and spike localization methods. In this comparison, UMAP emerges as the superior feature extraction method, demonstrating its effectiveness in accurately representing spike shapes. Additionally, we find that the COM method outperforms other spike localization methods, highlighting its ability to enhance the accuracy of spike sorting.

2.
Crit Rev Food Sci Nutr ; : 1-15, 2024 Sep 08.
Artículo en Inglés | MEDLINE | ID: mdl-39244761

RESUMEN

Probiotic lactic acid bacteria (LAB) must undergo three key stages of testing, including food processing, storage, and gastrointestinal tract environment, their beneficial effects could exert. The biofilm formation of probiotic LAB is helpful for improving their stress resistances, survival rates, and colonization abilities under adverse environmental conditions, laying an important foundation for their probiotic effects. In this review, the formation process, the composition and function of basic components of probiotic LAB biofilm have been summarized. This review focuses on the regulatory mechanism of probiotic LAB biofilm formation. In addition, the characteristics and related mechanisms of probiotics in biofilm state have been analyzed to guide the application of probiotic LAB biofilms in the field of health and food. The biofilm formation of LAB is an extremely complex process involving multiple regulatory factors. Besides quorum sensing (QS), other regulatory factors are not yet fully understood. The probiotic LAB in biofilm state exhibit superior survival rate, adhesion performance, and immunomodulation ability, attribute to various metabolic processes, including stress response, exopolysaccharide (EPS) metabolism, amino acid and protein metabolisms, etc. The understanding about regulatory mechanism of biofilm formation of different probiotic species and strains will accelerate the development and application of probiotics products.

3.
Water Res ; 265: 122247, 2024 Nov 01.
Artículo en Inglés | MEDLINE | ID: mdl-39178593

RESUMEN

Achieving mainstream short-cut nitrogen removal via nitrite has become a carbon and energy efficient way, but still remains challenging for low-strength municipal wastewaters. This study integrated sidestream enhanced biological phosphorus removal system in a pilot-scale adsorption/bio-oxidation (A-B) process (named A-B-S2EBPR system) and nitrite accumulation was successfully achieved for treating the municipal wastewater. Nitrite could accumulate to 5.5 ± 0.3 mg N/L in the intermittently aerated tanks of B-stage with the nitrite accumulation ratio (NAR) of 79.1 ± 6.5 %. The final effluent concentration and removal efficiency of total inorganic nitrogen (TIN) were 4.6 ± 1.8 mg N/L and 84.9 ± 5.6 %, respectively. In-situ process performance of nitrogen conversions, routine batch nitrification/denitrification activity tests and functional gene abundance of nitrifiers collectively suggested that the nitrite accumulation was mainly caused by partial denitrification rather than out-selection of nitrite oxidizing bacteria (NOB). Moreover, the single-cell Raman spectroscopy analysis first demonstrated that there was a specific microbial population that could utilize polyhydroxyalkanoates (PHA) as the potential internal carbon source during the partial denitrification process. The integration of S2EBPR brings unique features to the conventional A-B process, such as extended anaerobic retention time, lower oxidation-reduction potential (ORP), much higher and complex volatile fatty acids (VFAs) etc., which can largely reshape the microbial communities. The dominant genera were Acinetobacter and Comamonadaceae, which accounted for (17.8 ± 15.5)% and (6.7 ± 3.4)%, respectively, while the relative abundance of conventional nitrifiers was less than 0.2%. This study provides insights into phylogenetic and phenotypic shifts of microbial communities when incorporating S2EBPR into the sustainable A-B process to achieve mainstream short-cut nitrogen removal.


Asunto(s)
Carbono , Desnitrificación , Nitrógeno , Eliminación de Residuos Líquidos , Aguas Residuales , Aguas Residuales/química , Eliminación de Residuos Líquidos/métodos , Nitrógeno/metabolismo , Reactores Biológicos , Nitritos/metabolismo , Bacterias/metabolismo , Purificación del Agua/métodos , Proyectos Piloto , Fósforo
4.
Water Res ; 266: 122280, 2024 Aug 15.
Artículo en Inglés | MEDLINE | ID: mdl-39213686

RESUMEN

Polyphosphate Accumulating Organisms (PAOs) microdiversity is a key factor to elucidate the mechanisms involved in the side-stream enhanced biological phosphorus removal (S2EBPR) systems, which has been shown to improve the process stability over conventional EBPR. However, fast, effective and cost-efficient methods to resolve PAO microdiversity in real-world activate sludge samples is still in absence. In this study, we applied oligotyping analysis following the regular 16S rRNA gene amplicon sequencing standard operation pipeline (SOP) to resolve subgenus-level PAO oligotypes, which cannot be achieved using traditional 16S rRNA sequencing SOP. The identified oligotype profiles of PAO-containing genera Ca. Accumulibacter, Tetrasphaera and Comamonas showed distinguished community-level differences across 12 water resource recovery facilities (WRRFs), which would not be revealed at the genus level. The WRRF-level differences were observed larger than the temporal differences in the same WRRF, indicating intrinsic sub-genus level microdiversity fingerprint between EBPR/S2EBPR systems. The identified oligotypes can be associated with known PAO clades phylogenetically, suggesting that oligotyping can suffice as a fast and cost-efficient approach for PAO microdiversity profiling. In addition, network analysis can be used to identify coexistence patterns between oligotypes with respect to EBPR/S2EBPR configurations and performance, enabling more detailed analysis between EBPR system performance and PAOs microdiversity. Correlation analyses between oligotype profiles and key EBPR performance parameters revealed potential different biological functional traits among these PAO species with P-removal performance implications.

5.
J Phys Chem Lett ; 15(35): 8984-8989, 2024 Sep 05.
Artículo en Inglés | MEDLINE | ID: mdl-39186247

RESUMEN

B═O multiple bonds are fundamentally important owing to the unique property of B and its potential as a tool in catalysis. Herein by means of DFT calculations, we investigated the in situ generation of transient -B═O species in the nonmetallic inorganic boron oxides and demonstrated its superior ability to capture alkoxyl radicals under the conditions of oxidative dehydrogenation of propane (ODHP). Boron-containing materials are emerging as promising catalysts for ODHP, while an extensive understanding of the underlying mechanisms remains challenging. Through systematic mechanistic and characterization calculations, we show the feasibility for the presence of -B═O species under ODHP conditions and propose that its π nature dictates its inertness in the C-H activation of propane (ΔG⧧ = 57 kcal/mol) but offers its strong ability in capturing alkoxyl radicals (barrierless with ΔG = -30 kcal/mol), which can then transform to the ·C3H6OH radical. This explains the observation of enol in the experimental study. This specific behavior of the -B═O species makes it one of the key players in the complex reaction network of ODHP and also implicates the rational design of scavengers for reactive oxygen species (ROS) and other active oxygenated species.

6.
J Phys Chem Lett ; 15(31): 7840-7849, 2024 Aug 08.
Artículo en Inglés | MEDLINE | ID: mdl-39052764

RESUMEN

In materials science, doping plays a crucial role in manipulating the electronic properties of materials. Conventional screening via a trial-and-error strategy is challenging owing to the enormous chemical space. We proposed a connected convolutional neutral network (CCNN) for quick screening of boron nitrogen (B-N) codoped graphdiyne in terms of band gap. A paired-atomic localized matrix (PALM) descriptor was designed to describe the local chemical environment of materials with the matrix form adapted to a neutral network. An attribution analysis was conducted, and a quantitative relationship between structure and band gap is proposed, which reveals more significant influence of B-N doping at sp2 hybridized sites than at sp hybridized sites on broadening of the band gap of GDY. The accuracy and efficiency of the proposed approach implicate its potential in promoting the design of graphdiyne-based optoelectronic devices and catalysts with expected electronic properties, opening a new avenue for rational design of novel materials.

7.
Phys Chem Chem Phys ; 26(28): 19543-19553, 2024 Jul 17.
Artículo en Inglés | MEDLINE | ID: mdl-38979972

RESUMEN

Rational design of γ-alumina-based catalysts relies on an extensive understanding of the distribution of hydroxyl groups on the surface of γ-alumina and their physicochemical properties, which remain unclear and challenging to determine experimentally due to the structural complexity. In this work, by means of DFT and thermodynamic calculations, various hydroxylation modes of γ-alumina (110) and (100) surfaces at different OH coverages were evaluated, based on which a thermodynamic model to reflect the relationship between temperature and the surface structure was established and the stable hydroxylation modes under experimental conditions were predicted. This enables us to identify the experimentally measured IR spectra. The effect of hydroxyl coverages on the surface Lewis acidity was then analyzed, showing that the presence of hydroxyl groups could promote the Lewis acidity of neighboring Al sites. This work provides fundamental insights into the molecular level understanding of the surface properties of γ-alumina and benefits the rational design of alumina-based catalysts.

8.
Environ Res ; 261: 119691, 2024 Nov 15.
Artículo en Inglés | MEDLINE | ID: mdl-39074775

RESUMEN

Algae and macrophytes in lake ecosystems regulate nitrous oxide (N2O) emissions from eutrophic lakes. However, knowledge of diurnal N2O emission patterns from different habitats remains limited. To understand the diurnal patterns and driving mechanisms of N2O emissions from contrasting habitats, continuous in situ observations (72 h) of N2O fluxes from an algae-dominated zone (ADZ) and reed-dominated zone (RDZ) in Lake Taihu were conducted using the Floating Chamber method. The results showed average N2O emission fluxes of 0.15 ± 0.06 and 0.02 ± 0.04 µmol m-2 h-1 in the ADZ and RDZ in autumn, respectively. The significantly higher (p < 0.05) N2O fluxes in the ADZ were mainly attributed to differences in nitrogen (N) levels. The results also showed significant diurnal differences (p < 0.05) in the N2O emission fluxes within the ADZ and RDZ, and daytime fluxes were significantly higher (p < 0.05) than nighttime fluxes. The statistical results indicated that N2O emissions from the ADZ were mainly driven by diurnal variations in N loading and the dissolved oxygen (DO) concentration, and those from the RDZ were more influenced by DO, redox potential, and pH. Finally, we determined the proper time for routine monitoring of N2O flux in the two habitats. Our results highlight the importance of considering diverse habitats and diurnal variations when estimating N2O budgets at a whole-lake scale.


Asunto(s)
Ecosistema , Lagos , Óxido Nitroso , Óxido Nitroso/análisis , Lagos/química , China , Monitoreo del Ambiente , Ritmo Circadiano , Eutrofización , Contaminantes Atmosféricos/análisis
9.
Molecules ; 29(12)2024 Jun 18.
Artículo en Inglés | MEDLINE | ID: mdl-38930957

RESUMEN

The recent few decades witnessed a quick growth in our knowledge in actinoid chemistry, particularly in actinoids' behaviors in catalysis and biologic systems [...].

10.
Environ Sci Technol ; 58(22): 9701-9713, 2024 Jun 04.
Artículo en Inglés | MEDLINE | ID: mdl-38780660

RESUMEN

Indirect nitrous oxide (N2O) emissions from streams and rivers are a poorly constrained term in the global N2O budget. Current models of riverine N2O emissions place a strong focus on denitrification in groundwater and riverine environments as a dominant source of riverine N2O, but do not explicitly consider direct N2O input from terrestrial ecosystems. Here, we combine N2O isotope measurements and spatial stream network modeling to show that terrestrial-aquatic interactions, driven by changing hydrologic connectivity, control the sources and dynamics of riverine N2O in a mesoscale river network within the U.S. Corn Belt. We find that N2O produced from nitrification constituted a substantial fraction (i.e., >30%) of riverine N2O across the entire river network. The delivery of soil-produced N2O to streams was identified as a key mechanism for the high nitrification contribution and potentially accounted for more than 40% of the total riverine emission. This revealed large terrestrial N2O input implies an important climate-N2O feedback mechanism that may enhance riverine N2O emissions under a wetter and warmer climate. Inadequate representation of hydrologic connectivity in observations and modeling of riverine N2O emissions may result in significant underestimations.


Asunto(s)
Hidrología , Óxido Nitroso , Ríos , Ríos/química , Agua Subterránea/química , Ecosistema , Nitrificación , Suelo/química , Monitoreo del Ambiente
11.
Inorg Chem ; 63(18): 8206-8214, 2024 May 06.
Artículo en Inglés | MEDLINE | ID: mdl-38647176

RESUMEN

The accessibility of multiple valence states of americium (Am) inspired redox-based protocols aimed at efficient separation of trivalent Am (Am3+) from trivalent lanthanides (Ln3+) alternative to the traditional liquid-liquid extraction. This requires an extensive understanding of the coordination chemistry of Am in its various accessible valence states in the aqueous phase. In this work, by means of DFT calculations, the coordination of AmIII-VI with five typical N-donor ligands, i.e., terpyridine (tpy), bispyrazinylpyridine (dpp), bistriazinylpyridine (BTP), bistriazinyl bipyridine (BTBP), and bistrazinyl phenanthroline (BTPhen), was studied in terms of energy and topological analysis. The results show that the exchange of aqua ligands of hydrated ions by N-donor ligands is an entropy-driven process and enthalpically unfavorable. Topological analysis suggests a distinct mechanism of BTP to modulate the redox potential of Am(III) in that BTP can assist the relay of the leaving electron of AmIII, while the other N-donor ligands can detain the oxidation of Am by offering their electron instead. This comparative study enriches our understanding of the coordination chemistry of high-valent Am with N-donor ligands and recommends the ligand design toward the modulation of redox potentials of hydrated Am(III) ions.

12.
Macromol Rapid Commun ; 45(12): e2300715, 2024 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-38539063

RESUMEN

The raw materials of Poly(ethylene terephthalate) (PET) are derived from petroleum-based resources, which are no sustainable. Therefore, previous researchers introduced biomass-derived 2,5-tetrahydrofurfuryl dimethanol (THFDM) into PET. However, its heat resistance has decreased compared to PET. In this paper, a novel bio-based copolyester, poly(ethylene glycol-co-2,5-tetrahydrofuran dimethanol-co-isosorbide terephthalate) (PEIFT), is prepared by introducing biomass-derived isosorbide (ISB) and THFDM into the PET chains through melting copolymerization process. With the introduction of ISB content, copolyesters' hydrophilicity and rigidity improve. Compared to PET, glass transition temperature (Tg) increases by over 5 °C. In addition, the toughness and spinning performance of PEIFT have also been improved as a result of the addition of THFDM components. The hydrophobicity of PEIFTs electrospinning is greatly improved, with a contact angle exceeding 135°. Finally, due to the good hydrophobicity of PEIFTs nanofibers, they have potential application value in the manufacture of hydrophobic nanofiber and filter films. Given its biomass source and excellent performance, they make it easier to replace materials derived from petroleum.


Asunto(s)
Interacciones Hidrofóbicas e Hidrofílicas , Nanofibras , Poliésteres , Nanofibras/química , Poliésteres/química , Poliésteres/síntesis química , Isosorbida/química , Biomasa , Tereftalatos Polietilenos/química , Furanos/química
13.
J Phys Chem A ; 128(9): 1656-1664, 2024 Mar 07.
Artículo en Inglés | MEDLINE | ID: mdl-38394031

RESUMEN

Oxidative dehydrogenation (ODH) of light alkanes is a key process in the oxidative conversion of alkanes to alkenes, oxygenated hydrocarbons, and COx (x = 1,2). Understanding the underlying mechanisms extensively is crucial to keep the ODH under control for target products, e.g., alkenes rather than COx, with minimal energy consumption, e.g., during the alkene production or maximal energy release, e.g., during combustion. In this work, deep potential (DP), a neural network atomic potential developed in recent years, was employed to conduct large-scale accurate reactive dynamic simulations. The model was trained on a sufficient data set obtained at the density functional theory level. The intricate reaction network was elucidated and organized in the form of a hierarchical network to demonstrate the key features of the ODH mechanisms, including the activation of propane and oxygen, the influence of propyl reaction pathways on the propene selectivity, and the role of rapid H2O2 decomposition for sustainable and efficient ODH reactions. The results indicate the more complex reaction mechanism of propane ODH than that of ethane ODH and are expected to provide insights in the ODH catalyst optimization. In addition, this work represents the first application of deep potential in the ODH mechanistic study and demonstrates the ample advantages of DP in the study of mechanism and dynamics of complex systems.

14.
Water Res ; 253: 121220, 2024 Apr 01.
Artículo en Inglés | MEDLINE | ID: mdl-38341969

RESUMEN

A novel integrated pilot-scale A-stage high rate activated sludge, B-stage short-cut biological nitrogen removal and side-stream enhanced biological phosphorus removal (A/B-shortcut N-S2EBPR) process for treating municipal wastewater was demonstrated with the aim to achieve simultaneous and carbon- and energy-efficient N and P removal. In this studied period, an average of 7.62 ± 2.17 mg-N/L nitrite accumulation was achieved through atypical partial nitrification without canonical known NOB out-selection. Network analysis confirms the central hub of microbial community as Nitrospira, which was one to two orders of magnitude higher than canonical aerobic oxidizing bacteria (AOB) in a B-stage nitrification tank. The contribution of comammox Nitrospira as AOB was evidenced by the increased amoB/nxr ratio and higher ammonia oxidation activity. Furthermore, oligotyping analysis of Nitrospira revealed two dominant sub-clusters (microdiveristy) within the Nitrospira. The relative abundance of oligotype II, which is phylogenetically close to Nitrospira_midas_s_31566, exhibited a positive correlation with nitrite accumulation in the same operational period, suggesting its role as comammox Nitrospira. Additionally, the phylogenetic investigation suggested that heterotrophic organisms from the family Comamonadacea and the order Rhodocyclaceae embedding ammonia monooxygenase and hydroxylamine oxidase may function as heterotrophic nitrifiers. This is the first study that elucidated the impact of integrating the S2EBPR on nitrifying populations with implications on short-cut N removal. The unique conditions in the side-stream reactor, such as low ORP, favorable VFA concentrations and composition, seemed to exert different selective forces on nitrifying populations from those in conventional biological nutrient removal processes. The results provide new insights for integrating EBPR with short-cut N removal process for mainstream wastewater treatment.


Asunto(s)
Amoníaco , Nitritos , Filogenia , Oxidación-Reducción , Bacterias/genética , Nitrificación
15.
Phys Chem Chem Phys ; 26(5): 4125-4134, 2024 Jan 31.
Artículo en Inglés | MEDLINE | ID: mdl-38226632

RESUMEN

Multinuclear U(VI) species may be dominant in aqueous solutions under environmental conditions, while the structures of the multinuclear U(VI) species on mineral surfaces remain unclear. This work reports the structural and bonding properties of the possible surface complexes of three aqueous multinuclear U(VI) species, i.e., (UO2)2(OH)3+, (UO2)2(OH)22+ and (UO2)3(O)(OH)3+, on the hydroxylated α-SiO2(001) surface based on density functional theory (DFT) calculations. The results show that (UO2)2(OH)22+ and (UO2)3(O)(OH)3+ tend to form end-on structures at SiO(H)SiO(H) sites, whereas (UO2)2(OH)3+ prefers a side-on structure at SiO(H)O(H)-SiO(H)O(H) sites. The main driving forces for the formation of the multinuclear U(VI) surface complexes are electrostatic interactions and partially covalent chemical bonds. The Os-2p orbital hybridizes strongly with U-5f and U-6d orbitals, with a decreasing binding strength in the sequence of (UO2)2(OH)3+ > (UO2)2(OH)22+ > (UO2)3(O)(OH)3+ for the adsorption at the same type of surface sites. For the adsorption of the same multinuclear U(VI) species, the binding energy increases with the deprotonation extent of the identical sites. In addition, hydrogen bonds between surface hydroxyls and coordination waters as well as the acyl oxygen of uranyl moieties contribute to the formation of the multinuclear U(VI) surface complexes. The U-5f electron delocalization of far-side U atoms in the end-on structures of (UO2)2(OH)22+ and (UO2)3(O)(OH)3+ surface complexes also contributes slightly to the overall binding energy. Overall, this study provides insights into the adsorption behavior of multinuclear U(VI) on silica.

16.
Water Res ; 251: 121050, 2024 Mar 01.
Artículo en Inglés | MEDLINE | ID: mdl-38241807

RESUMEN

While the adsorption/bio-oxidation (A/B) process has been widely studied for carbon capture and shortcut nitrogen (N) removal, its integration with enhanced biological phosphorus (P) removal (EBPR) has been considered challenging and thus unexplored. Here, full-scale pilot testing with an integrated system combining A-stage high-rate activated sludge with B-stage partial (de)nitrification/anammox and side-stream EBPR (HRAS-P(D)N/A-S2EBPR) was conducted treating real municipal wastewater. The results demonstrated that, despite the relatively low influent carbon load, the B-stage P(D)N-S2EBPR system could achieve effective P removal performance, with the carbon supplement and redirection of the A-stage sludge fermentate to the S2EBPR. The novel process configuration design enabled a system shift in carbon flux and distribution for efficient EBPR, and provided unique selective factors for ecological niche partitioning among different key functionally relevant microorganisms including polyphosphate accumulating organisms (PAOs) and glycogen-accumulating organisms (GAOs). The combined nitrite from B-stage to S2EBPR and aerobic-anoxic conditions in our HRAS-P(D)N/A-S2EBPR system promoted DPAOs for simultaneous internal carbon-driven denitrification via nitrite and P removal. 16S rRNA gene-based oligotyping analysis revealed high phylogenetic microdiversity within the Accumulibacter population and discovered coexistence of certain oligotypes of Accumulibacter and Competibacter correlated with efficient P removal. Single-cell Raman micro-spectroscopy-based phenotypic profiling showed high phenotypic microdiversity in the active PAO community and the involvement of unidentified PAOs and internal carbon-accumulating organisms that potentially played an important role in system performance. This is the first pilot study to demonstrate that the P(D)N-S2EBPR system could achieve shortcut N removal and influent carbon-independent EBPR simultaneously, and the results provided insights into the effects of incorporating S2EBPR into A/B process on metabolic activities, microbial ecology, and resulted system performance.


Asunto(s)
Aguas del Alcantarillado , Purificación del Agua , Desnitrificación , Fósforo/metabolismo , Ríos , Nitrógeno , ARN Ribosómico 16S , Filogenia , Nitritos , Proyectos Piloto , Reactores Biológicos , Purificación del Agua/métodos , Polifosfatos/metabolismo , Carbono
17.
Water Res ; 251: 121089, 2024 Mar 01.
Artículo en Inglés | MEDLINE | ID: mdl-38277823

RESUMEN

We piloted the incorporation of side-stream enhanced biological phosphorus removal (S2EBPR) with A/B stage short-cut nitrogen removal processes to enable simultaneous carbon-energy-efficient nutrients removal. This unique configuration and system conditions exerted selective force on microbial populations distinct from those in conventional EBPR. Interestingly, effective P removal was achieved with the predominance of Acinetobacter (21.5 ± 0.1 %) with nearly negligible level of known conical PAOs (Ca. Accumulibacter and Tetrasphaera were 0.04 ± 0.10 % and 0.47 ± 0.32 %, respectively). Using a combination of techniques, such as fluorescence in situ hybridization (FISH) coupled with single cell Raman spectroscopy (SCRS), the metabolic tracing of Acinetobacter-like cells exerted PAO-like phenotypic profiling. In addition, comparative metagenomics analysis of the closely related Acinetobacter spp. revealed the EBPR relevant metabolic pathways. Further oligotyping analysis of 16s rRNA V4 region revealed sub-clusters (microdiversity) of the Acinetobacter and revealed that the sub-group (oligo type 1, identical (100 % alignment identity) hits from Acinetobacter_midas_s_49494, and Acinetobacter_midas_s_55652) correlated with EBPR activities parameters, provided strong evidence that the identified Acinetobacter most likely contributed to the overall P removal in our A/B-shortcut N-S2EBPR system. To the best of our knowledge, this is the first study to confirm the in situ EBPR activity of Acinetobacter using combined genomics and SCRS Raman techniques. Further research is needed to identify the specific taxon, and phenotype of the Acinetobacter that are responsible for the P-removal.


Asunto(s)
Fósforo , Ríos , Fósforo/metabolismo , ARN Ribosómico 16S/genética , Hibridación Fluorescente in Situ , Reactores Biológicos , Polifosfatos/metabolismo , Aguas del Alcantarillado
18.
Dalton Trans ; 53(2): 601-611, 2024 Jan 02.
Artículo en Inglés | MEDLINE | ID: mdl-38063670

RESUMEN

To tune the complexation and solvent extraction performance of the ligands with a 1,10-phenanthroline core for trivalent actinides (An3+) and lanthanides (Ln3+), we synthesized two new asymmetric tetradentate ligands with pyrazole and amide groups, i.e., L1 (N,N-diethyl-9-(5-ethyl-1H-pyrazol-3-yl)-1,10-phenanthroline-2-carboxamide) and its analogue L2 with longer alkyl chains (N,N-dihexyl). The complexation of the ligands with Ln3+ was confirmed by 1H NMR titration and X-ray crystallography, and stability constants were measured in methanol by spectrophotometric titration. The asymmetric ligands exhibited an improved performance in terms of selective solvent extraction of Am3+ over Eu3+ in strongly acidic solutions compared to their symmetric analogues. The improved selectivity of the asymmetric ligands was interpreted theoretically by density functional theory simulations. This study implies that combining different functional groups to construct asymmetric ligands may be an efficient way to tune ligand performance with regard to An3+ separation from Ln3+.

19.
Inorg Chem ; 63(2): 923-927, 2024 Jan 15.
Artículo en Inglés | MEDLINE | ID: mdl-38156893

RESUMEN

Plain simulations and enhanced sampling unveil a novel siderocalin (Scn) recognition mode for An-Ent (where An = actinides and Ent = enterobactin) complexes and identify a "seesaw" relationship between actinide affinity to Ent and Scn recognition to an An-Ent complex. Electrostatic interactions predominantly govern competitive binding in both processes. Additionally, hydrolysis-induced negative charge, water expulsion-driven entropy, and Ent's conformational adaptability collectively enhance high-affinity recognition.

20.
Nanomaterials (Basel) ; 13(19)2023 Sep 28.
Artículo en Inglés | MEDLINE | ID: mdl-37836310

RESUMEN

Direct ascorbic acid fuel cells (DAAFCs) employ biocompatible ascorbic acid (AA) as fuel, allowing convenient storage, transportation, and fueling as well as avoiding fuel crossover. The AA oxidation reaction (AAOR) largely governs the performance of DAAFCs. However, AAOR electrocatalysts currently have low activity, and state-of-the-art ones are limited to carbon black. Herein, we report the synthesis of an unprecedented AAOR electrocatalyst comprising 3.9 ± 1.1 nm CeO2 nanoparticles evenly distributed on carbon black simply by the wet chemical precipitation of Ce(OH)3 and a subsequent heat treatment. The resultant CeO2/C shows a remarkable AAOR activity with a peak current density of 13.1 mA cm-2, which is 1.7 times of that of carbon black (7.67 mA cm-2). According to X-ray photoelectron spectroscopy (XPS), the surface Ce3+ of CeO2 appears to contribute to the AAOR activity. Furthermore, our density functional theory (DFT) calculation reveals that that the proton of the hydroxyl group of AA can easily migrate to the bridging O sites of CeO2, resulting in a faster AAOR with respect to the pristine carbon, -COOH, and -C=O sites of carbon. After an i-t test, CeO2/C loses 17.8% of its initial current density, which is much superior to that of carbon black. CeO2 can capture the electrons generated by the AAOR to protect the -COOH and -C=O sites from being reduced. Finally, DAAFCs fabricated with CeO2/C exhibit a remarkable power density of 41.3 mW cm-2, which is the highest among proton-exchange-membrane-based DAAFCs in the literature.

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