SimCol3D - 3D reconstruction during colonoscopy challenge.

Colorectal cancer is one of the most common cancers in the world. While colonoscopy is an effective screening technique, navigating an endoscope through the colon to detect polyps is challenging. A 3D map of the observed surfaces could enhance the identification of unscreened colon tissue and serve as a training platform. However, reconstructing the colon from video footage remains difficult. Learning-based approaches hold promise as robust alternatives, but necessitate extensive datasets. Establishing a benchmark dataset, the 2022 EndoVis sub-challenge SimCol3D aimed to facilitate data-driven depth and pose prediction during colonoscopy. The challenge was hosted as part of MICCAI 2022 in Singapore. Six teams from around the world and representatives from academia and industry participated in the three sub-challenges: synthetic depth prediction, synthetic pose prediction, and real pose prediction. This paper describes the challenge, the submitted methods, and their results. We show that depth prediction from synthetic colonoscopy images is robustly solvable, while pose estimation remains an open research question.

Design Principle of Molybdenum-Based Metal Nitrides for Lattice Nitrogen-Mediated Ammonia Production.

Chemical looping ammonia synthesis (CLAS) is a promising technology for reducing the high energy consumption of the conventional ammonia synthesis process. However, the comprehensive understanding of reaction mechanisms and rational design of novel nitrogen carriers has not been achieved due to the high complexity of catalyst structures and the unrevealed relationship between electronic structure and intrinsic activity. Herein, we propose a multistage strategy to establish the connection between catalyst intrinsic activity and microscopic electronic structure fingerprints using density functional theory computational energetics as bridges and apply it to the rational design of metal nitride catalysts for lattice nitrogen-mediated ammonia production. Molybdenum-based nitride catalysts with well-defined structures are employed as prototypes to elucidate the decoupled effects of electronic and geometrical features. The electron-transfer and spin polarization characteristics of the magnetic metals are constructed as descriptors to disclose the atomic-scale causes of intrinsic activity. Based on this design strategy, it is demonstrated that Ni3Mo3N catalysts possess the highest lattice nitrogen-mediated ammonia synthesis activity. This work reveals the structure-activity relationship of metal nitrides for CLAS and provides a multistage perspective on catalyst rational design.

Upgrading CO2 to sustainable aromatics via perovskite-mediated tandem catalysis.

The directional transformation of carbon dioxide (CO2) with renewable hydrogen into specific carbon-heavy products (C6+) of high value presents a sustainable route for net-zero chemical manufacture. However, it is still challenging to simultaneously achieve high activity and selectivity due to the unbalanced CO2 hydrogenation and C-C coupling rates on complementary active sites in a bifunctional catalyst, thus causing unexpected secondary reaction. Here we report LaFeO3 perovskite-mediated directional tandem conversion of CO2 towards heavy aromatics with high CO2 conversion (> 60%), exceptional aromatics selectivity among hydrocarbons (> 85%), and no obvious deactivation for 1000 hours. This is enabled by disentangling the CO2 hydrogenation domain from the C-C coupling domain in the tandem system for Iron-based catalyst. Unlike other active Fe oxides showing wide hydrocarbon product distribution due to carbide formation, LaFeO3 by design is endowed with superior resistance to carburization, therefore inhibiting uncontrolled C-C coupling on oxide and isolating aromatics formation in the zeolite. In-situ spectroscopic evidence and theoretical calculations reveal an oxygenate-rich surface chemistry of LaFeO3, that easily escape from the oxide surface for further precise C-C coupling inside zeolites, thus steering CO2-HCOOH/H2CO-Aromatics reaction pathway to enable a high yield of aromatics.

Reduction of greenhouse gas emissions from closed activated sludge- to aerobic granular sludge-based biosystems via gas circulation.

Greenhouse gas (GHG) emissions from biological treatment units are challenging wastewater treatment plants (WWTPs) due to their wide applications and global warming. This study aimed to reduce GHG emissions (especially N2O) using a gas circulation strategy in a closed sequencing-batch reactor when the biological unit varies from activated sludge (AS) to aerobic granular sludge (AGS). Results show that gas circulation lowers pH to 6.3 ± 0.2, facilitating regular granules but elevating total N2O production. From AS to AGS, N2O emission factor increased (0.07-0.86 %) due to decreasing ammonia-oxidizing rates while the emissions of CO2 (0.3 ± 0.1 kg-CO2/kg-chemical oxygen demand) and CH4 remained in the closed biosystem. The gas circulation decreased N2O emission factor by 63 ± 15 % after granulation higher than 44 ± 34 % before granulation, which is implemented by heterotrophic denitrification. This study provides a feasible strategy to enhance heterotrophic N2O elimination in the biological WWTPs.

Enhancing H2O2 Electrosynthesis at Industrial-Relevant Current in Acidic Media on Diatomic Cobalt Sites.

Electrocatalytic synthesis of hydrogen peroxide (H2O2) in acidic media is an efficient and eco-friendly approach to produce inherently stable H2O2, but limited by the lack of selective and stable catalysts under industrial-relevant current densities. Herein, we report a diatomic cobalt catalyst for two-electron oxygen reduction to efficiently produce H2O2 at 50-400 mA cm-2 in acid. Electrode kinetics study shows a >95% selectivity for two-electron oxygen reduction on the diatomic cobalt sites. In a flow cell device, a record-high production rate of 11.72 mol gcat-1 h-1 and exceptional long-term stability (100 h) are realized under high current densities. In situ spectroscopic studies and theoretical calculations reveal that introducing a second metal into the coordination sphere of the cobalt site can optimize the binding strength of key H2O2 intermediates due to the downshifted d-band center of cobalt. We also demonstrate the feasibility of processing municipal plastic wastes through decentralized H2O2 production.

Quantitative distribution and quantized ecological threat of microplastics in farmland: Shanghai as an example.

The occurrence of microplastics (MPs) in farmlands poses a threat to soil health and crop yield. There needs to be more research on the role of cropping patterns in the accumulation of MPs and quantizing the threat of MPs on soil health and crop yield. In this study, a field study was carried out to explore the role of cropping patterns in the accumulation of MPs in agricultural soil in Shanghai, China. Furthermore, the specific effect and importance of MPs and each soil physicochemical indicator to soil health and crop yield were clarified, and the threat of MPs in reducing soil health and crop yield was quantized. Relative lower MPs abundance was detected in Shanghai. MPs abundance in vegetable fields was significantly higher than that in orchards. The broad source of MPs, the acceleration of plastics breaking under artificial disturbance and warmer temperatures, and the block of MPs exchange could account for the quicker accumulation of MPs in vegetable fields. MPs have a negligible effect on microbial diversity and metabolic activity which plays a role in soil enzyme activity. Besides, MPs served as one of the critical factors for rice yield reduction.

Defect-Driven Efficient Selective CO2 Hydrogenation with Mo-Based Clusters.

Synthetic fuels produced from CO2 show promise in combating climate change. The reverse water gas shift (RWGS) reaction is the key to opening the CO2 molecule, and CO serves as a versatile intermediate for creating various hydrocarbons. Mo-based catalysts are of great interest for RWGS reactions featured for their stability and strong metal-oxygen interactions. Our study identified Mo defects as the intrinsic origin of the high activity of cluster Mo2C for CO2-selective hydrogenation. Specifically, we found that defected Mo2C clusters supported on nitrogen-doped graphene exhibited exceptional catalytic performance, attaining a reaction rate of 6.3 gCO/gcat/h at 400 °C with over 99% CO selectivity and good stability. Such a catalyst outperformed other Mo-based catalysts and noble metal-based catalysts in terms of facile dissociation of CO2, highly selective hydrogenation, and nonbarrier liberation of CO. Our study revealed that as a potential descriptor, the atomic magnetism linearly correlates to the liberation capacity of CO, and Mo defects facilitated product desorption by reducing the magnetization of the adsorption site. On the other hand, the defects were effective in neutralizing the negative charges of surface hydrogen, which is crucial for selective hydrogenation. Finally, we have successfully demonstrated that the combination of a carbon support and the carbonization process synergistically serves as a feasible strategy for creating rich Mo defects, and biochar can be a low-cost alternative option for large-scale applications.

Unraveling the Antioxidant Activity of 2R,3R-dihydroquercetin.

It has been reported that in an oxidative environment, the flavonoid 2R,3R-dihydroquercetin (2R,3R-DHQ) oxidizes into a product that rearranges to form quercetin. As quercetin is a very potent antioxidant, much better than 2R,3R-DHQ, this would be an intriguing form of targeting the antioxidant quercetin. The aim of the present study is to further elaborate on this targeting. We can confirm the previous observation that 2R,3R-DHQ is oxidized by horseradish peroxidase (HRP), with H2O2 as the oxidant. However, HPLC analysis revealed that no quercetin was formed, but instead an unstable oxidation product. The inclusion of glutathione (GSH) during the oxidation process resulted in the formation of a 2R,3R-DHQ-GSH adduct, as was identified using HPLC with IT-TOF/MS detection. GSH adducts appeared on the B-ring of the 2R,3R-DHQ quinone, indicating that during oxidation, the B-ring is oxidized from a catechol to form a quinone group. Ascorbate could reduce the quinone back to 2R,3R-DHQ. No 2S,3R-DHQ was detected after the reduction by ascorbate, indicating that a possible epimerization of 2R,3R-DHQ quinone to 2S,3R-DHQ quinone does not occur. The fact that no epimerization of the oxidized product of 2R,3R-DHQ is observed, and that GSH adducts the oxidized product of 2R,3R-DHQ on the B-ring, led us to conclude that the redox-modulating activity of 2R,3R-DHQ quinone resides in its B-ring. This could be confirmed by chemical calculation. Apparently, the administration of 2R,3R-DHQ in an oxidative environment does not result in 'biotargeting' quercetin.

Terrace-Rich Ultrathin PtCu Surface on Earth-Abundant Metal for Oxygen Reduction Reaction.

The activity and stability of the platinum electrode toward the oxygen reduction reaction are size-dependent. Although small nanoparticles have high Pt utilization, the undercoordinated Pt sites on their surface are assumed to have too strong oxygen binding strength, thus often leading to compromised activity and surface instability. Herein, we report an extended nanostructured PtCu ultrathin surface to reduce the number of low-coordination sites without sacrificing the electrochemical active surface area (ECSA). The surface shows (111)-oriented characteristics, as proven by electrochemical probe reactions and spectroscopies. The PtCu surface brings over an order of magnitude increase in specific activity relative to commercial Pt/C and nearly 4-fold enhancement in ECSA compared to traditional thin films. Moreover, due to the weak absorption of air impurities (e.g., SO2, NO, CO) on highly coordinated sites, the catalyst displays enhanced contaminant tolerance compared with nanoparticulate Pt/C. This work promises a broad screening of extended nanostructured surface catalysts for electrochemical conversions.

New small-molecule alcohol synthesis by breaking the space limitation of the "aromatic cage" in Pseudomonas sp. AK1 BBOX.

Fe(II)/2OG-dependent oxygenase γ-butyrobetaine hydroxylase (BBOX) stereoselectively hydroxylates inactive C-H bonds and produces L-carnitine. It has potential applications in the biosynthesis of L-carnitine and the synthesis of other small molecule alcohols. In this paper, we systematically explore the substrate range of Pseudomonas sp. AK1 BBOX (psBBOX), with emphasis on the quaternary ammonium portion of γ-butyrobetaine (γ-BB). The space limitation of the "aromatic cage" in psBBOX in the hydroxylation of large quaternary ammonium analogues was studied, and the role of four aromatic amino acid residues in the substrate binding mode was analyzed. Consequently, the F188A mutant was developed with the ability to hydroxylate cyclic quaternary ammonium analogues and generate new alcohol compounds by breaking the limitation of the "aromatic cage".

Microbial population properties in the hierarchically structured aerobic granular sludge: Phenotype and genotype.

Aerobic granular sludge (AGS) is a layered microbial aggregate formed by the ordered self-assembly of different microbial populations. In this study, the outer layer (OL), middle layer (ML), and the inner layer (IL) of matured AGS were obtained by circular cutting. The adhesion of microorganisms in IL was significantly higher than that in OL and ML during the famine period, while the adhesion of microorganisms in ML and OL was significantly higher than that in IL during the feast period, confirming that the formation of AGS started in the famine period, and the feast period promoted the increase of particle size. Microorganisms in the three-layer structure were highly diverse and rich in genes for cytochrome c oxidase synthesis with oxygen as the electron acceptor. G_Pseudoxanthomonas was the dominant bacterium in OL. Its spatial distribution increased gradually from the inside to the outside. G_Rhodanobacter was the dominant bacterium in IL. Its spatial distribution gradually decreased from the inside to the outside. The microorganisms in IL contained abundant pili genes. During the self-assembly process of particle formation, G_ Rhodanobaker adhered stronger than G_ Pseudoxanthomonas. The interface between aerobic and anoxic was about 0.6 mm away from the granule surface. Combined with the electron mediator properties of the extracellular polymeric substance (EPS) in granules, it was speculated that the degradation of organic substrates located in the anoxic layer relied on EPS as a mediator for long-range electron transfer, and finally transferred electrons to O2. This study provides a new viewpoint on the formation mechanism of AGS from the perspective of the ordered self-assembly of microorganisms, offering a theoretical basis for the optimal selection of culture conditions and the application of AGS technology.

Grave-to-cradle upcycling of Ni from electroplating wastewater to photothermal CO2 catalysis.

Treating hazardous waste Ni from the electroplating industry is mandated world-wide, is exceptionally expensive, and carries a very high CO2 footprint. Rather than regarding Ni as a disposable waste, the chemicals and petrochemicals industries could instead consider it a huge resource. In the work described herein, we present a strategy for upcycling waste Ni from electroplating wastewater into a photothermal catalyst for converting CO2 to CO. Specifically, magnetic nanoparticles encapsulated in amine functionalized porous SiO2, is demonstrated to efficiently scavenge Ni from electroplating wastewater for utilization in photothermal CO2 catalysis. The core-shell catalyst architecture produces CO at a rate of 1.9 mol·gNi-1·h-1 (44.1 mmol·gcat-1·h-1), a selectivity close to 100%, and notable long-term stability. This strategy of upcycling metal waste into functional, catalytic materials offers a multi-pronged approach for clean and renewable energy technologies.

Formation, application, and storage-reactivation of aerobic granular sludge: A review.

It was an important discovery in wastewater treatment that the microorganisms in the traditional activated sludge can form aerobic granular sludge (AGS) by self-aggregation under appropriate water quality and operation conditions. With a typical three-dimensional spherical structure, AGS has high sludge-water separation efficiency, great treatment capacity, and strong tolerance to toxic and harmful substances, so it has been considered to be one of the most promising wastewater treatment technologies. This paper comprehensively reviewed AGS from multiple perspectives over the past two decades, including the culture conditions, granulation mechanisms, metabolic and structural stability, storage, and its diverse applications. Some important issues, such as the reproducibility of culture conditions and the structural and functional stability during application and storage, were also summarized, and the research prospects were put forward. The aggregation behavior of microorganisms in AGS was explained from the perspectives of physiology and ecology of complex populations. The storage of AGS is considered to have large commercial potential value with the increase of large-scale applications. The purpose of this paper is to provide a reference for the systematic and in-depth study on the sludge aerobic granulation process.

Accelerating syngas-to-aromatic conversion via spontaneously monodispersed Fe in ZnCr2O4 spinel.

Spontaneous monodispersion of reducible active species (e.g., Fe, Co) and their stabilization in reductive atmospheres remain a key challenge in catalytic syngas chemistry. In this study, we present a series of catalysts including spontaneously monodispersed and enriched Fe on ZnCr2O4. Deep investigation shows remarkable performance in the syngas-to-aromatic reaction only when monodispersed Fe coupled with a H-ZSM-5 zeolite. Monodispersed Fe increases the turnover frequency from 0.14 to 0.48 s-1 without sacrificing the record high selectivity of total aromatics (80-90%) at a single pass. The increased activity is ascribed to more efficient activation of CO and H2 at oxygen vacancy nearest to the isolated Fe site and the prevention of carbide formation. Atomic precise characterization and theoretical calculations shed light on the origin and implications of spontaneous Fe monodispersion, which provide guidance to the design of next-generation catalyst for upgrading small molecules to synthetic fuels and chemicals.

Study on image data cleaning method of early esophageal cancer based on VGG_NIN neural network.

In order to clean the mislabeled images in the esophageal endoscopy image data set, we designed a new neural network VGG_NIN. Based on the new neural network structure, we developed a method to clean the mislabeled images in the esophageal endoscopy image data set. To verify the effectiveness of the proposed method, we designed two experiments using 3835 esophageal endoscopy images provided by West China Hospital of Sichuan University. The experimental results showed that the proposed method could clean about 93% of the mislabeled images in the data set, which was the first time in the cleaning of esophageal endoscopy image data set. Finally, in order to verify the generalization ability of this method, we cleaned the Kaggle open cat and dog data set, and cleaned out about 167 mislabeled images. Therefore, the proposed method can effectively screen the mislabeled images in the esophageal endoscopy image data set and has good generalization ability, which can provide great help for the development of high-performance gastrointestinal endoscopy image analysis model.

Effect of Staphylococcus aureus Contamination on the Microbial Diversity and Metabolites in Wholewheat Sourdough.

Wholewheat sourdough products are becoming increasingly more popular, and Staphylococcus aureus is a common opportunistic pathogen in dough products. The effects of S. aureus contamination (102 cfu/g) on metabolites as well as titratable acidity (TTA), pH, and microbial diversity of sourdough were investigated. S. aureus contamination significantly decreased the content of mannose while increasing the sorbitol in sourdough (p < 0.05). The S. aureus contamination significantly reduced the number of lactic acid bacteria (LAB), such as Lactobacillus curvatus, and the TTA values (p < 0.05). Furthermore, S. aureus contamination significantly reduced the content of most esters and acid flavor compounds while significantly increasing the content of 2,4-decadienal (p < 0.05), which is a compound that could have a negative impact on the flavor of sourdough. The PCA model developed based on volatile metabolites data could be used to distinguish contamination of S. aureus in sourdough cultured for 4 h. Sorbitol, 2,3-dimethylundecane, 1-pentanol, and 3-methylbutanoic acid were newly found to be the characteristic metabolites in S. aureus-contaminated sourdough.

A comprehensive gene expression profile of allergic rhinitis-derived nasal fibroblasts and the potential mechanism for its phenotype.

BACKGROUND: Allergic rhinitis (AR) is a common immunoglobulin E-mediated immune response involved various cell types, while the role of nasal fibroblasts (NFs) in the pathogenesis of AR is less understood. PURPOSE: The study aimed to uncover the gene expression profile of AR-derived NFs and the potential mechanism for the changed phenotype of AR-NFs. RESEARCH DESIGN: The primary NFs were isolated from 3 AR patients (AR-NFs) and 3 controls (Ctrl-NFs), and the proliferation, migration and interleukins production abilities of NFs were detected respectively. RNA-sequence was used to identify differentially expressed genes (DEGs) in AR-NFs. Transcription factor (TF) regulatory network and bioinformatic analyses were both conducted to clarify the biological roles of DEGs including the TFs. The DEG with the highest validated |fold change (FC)| value, detected by qPCR, was selected for further confirmation. RESULTS: AR-NFs showed a higher proliferation and migration abilities as well as released higher levels of IL-33 and IL-6, compared to Ctrl-NFs. A total of 729 DEGs were screened out in AR-NFs. TF regulatory network indicated that BARX homeobox 1 (BARX1) and forkhead box L1 were the major node TFs. Bioinformatic analyses showed that a large number of DEGs including several target genes of BARX1 were both enriched cytokine-related GO terms, and immune- or inflammation-related pathways. BARX1 had the highest |FC| value, and silencing BARX1 in AR-NFs resulted in the significant downregulation of proliferation and migration abilities, and the production of interleukins. CONCLUSIONS: Our study for the first time provided the gene expression profile of AR-derived NFs, and BARX1 could be developed as a potent target to alleviate the pathogenesis of AR.

Aggregation performance and adhesion behavior of microbes in response to feast/famine condition: Rapid granulation of aerobic granular sludge.

Periodic starvation was a common strategy for the rapid start-up of aerobic granular sludge (AGS), and investigating the behavior of microbes that originated from inner or outer layer in response to feast/famine condition could provide more details for the development or stability of AGS. In this work, the microbes of the AGS were isolated by layers, the aggregation of microbes, the adhesion behavior of microbes, and viscoelasticity of the layer formed by microbes, at feast/famine conditions, were investigated for the in-depth understanding of the start-up and stability of AGS. The famine condition reduced the negative charge and deprotonated carboxyl groups of the surface thereby boosting the aggregation and adhesion of microbes. The feast condition was more beneficial for the stability of the layer as it caused a denser layer of microbes. The inner core microbes (IC) presented a higher aggregation rate than the outer layer microbes (OL) at feast/famine conditions. Also, the IC presented the highest aggregation rate, adhesion rate, and adhesion mass at famine conditions, which was most in favor of the start-up stage of the aerobic granulation. Since the denser layer was formed by IC, IC had better advantages over OL at the famine stage in the formation of a more stable layer. This study affirmed the role of microbes in the inner layer of the granule during the start-up phase and provided a theoretical basis for understanding the significance of the famine period for rapid granulation.

Alternating nitrogen feeding strategy induced aerobic granulation: Influencing conditions and mechanism.

Effective cultivation of stable aerobic granular sludge (AGS) is a crucial step in the successful application of this technology, and the formation of AGS could be facilitated by some environmental stress conditions. Four identical sequencing batch reactors (SBRs) were established to investigate the aerobic granulation process under the same alternating ammonia nitrogen feeding strategy superimposed with different environmental conditions (inorganic carbon source, temperature, N/COD). Although various superimposed conditions induced a significant difference in the size, settling velocity, mechanic strength of AGS, mature aerobic granules could be successfully obtained in all four reactors after 70 days' operation, indicating the alternating ammonia nitrogen feeding strategy was the most critical factor for AGS formation. Based on the results of redundancy analysis, the presence of an inorganic carbon source could facilitate the cultivation of AGS with nitrification function, while the moderate temperature and fluctuant N/COD might benefit the cultivation of more stable AGS. In addition, superimposed stress conditions could result in the difference in the microbial population between four reactors, but the population diversity and abundance of microorganisms were not the determinants of AGS formation. This study provided an effective method for the cultivation of AGS by using alternating ammonia nitrogen feeding strategy.

Effects of different nutritional conditions on accumulation and distribution of Cr in Coix lacryma-jobi L. in Cr6+-contaminated constructed wetland.

In this research, micro Coix lacryma-jobi L. vertical flow constructed wetlands (VFCWs) were set up using domestic sewage (DWS) and 1/2 Hoagland nutrient solution (HNS) as VFCWs water sources. 0, 20 mg L-1 and 40 mg L-1 of Cr6+ (in the form of K2Cr7O2) were added into the water sources separately in order to study the response of Coix lacryma-jobi L. under Cr6+ stress. The results showed that the inhibition rates of Cr6 + on plant height, stem diameter, shoot and root dry weight treated with HNS were 2.88~10.16%, 5.12~11.86%, 3.53~6.51% and 2.89~6.34% higher than those in DWS treatment. SEM analysis showed that the nuclear bilayer membrane was slightly damaged, the chromatin decreased and the number of mitochondrial cristae decreased when treated with 20 mg L-1 of Cr6+, however, organelle damage was more severe under 40 mg L-1 of Cr6+exposure. The X-ray energy spectrum analysis results indicated that the accumulation of chromium in epidermis and endodermis were higher than those in stele. The contents of total Cr in roots, stems and leaves treated with HNS were higher than those of DWS treatment. The highest content of Cr was observed in cell wall (32.12-188.1 mg kg-1), followed by vacuole (5.0-38.14 mg kg-1). The contents of Cr in each subcellular component in roots, stems, and leaves treated with HNS were higher than those of DWS, except for organelle components in the 14th week. DWS was used as water influent, the contents of easily migrated combined Cr (ETM) in roots, stems and leaves were significantly lower than those in HNS treatment. Improving the nutritional conditions of constructed wetlands might be beneficial to the improvement of their ability to purify chrome-containing waste water.