Theoretical insights of the pharmaceutical compound fluoxetine in water: Role in direct photolysis and indirect photolysis by free radicals.

The frequent detection of pharmaceutical compounds in the environment has led to a growing awareness, which may pose a major threat to the aquatic environment. In this study, photodegradation (direct and indirect photolysis) of two different dissociation states of fluoxetine (FLU) was investigated in water, mainly including the determination of photolytic transition states and products, and the mechanisms of indirect photodegradation with ·OH, CO3*- and NO3*. The main direct photolysis pathways are defluorination and C-C bond cleavage. In addition, the indirect photodegradation of FLU in water is mainly through the reactions with ·OH and NO3*, and the photodegradation reaction with CO3*- is relatively difficult to occur in the water environment. Our results provide a theoretical basis for understanding the phototransformation process of FLU in the water environment and assessing its potential risk.

Highly Bioadaptable Hybrid Conduits with Spatially Bidirectional Structure for Precision Nerve Fiber Regeneration via Gene Therapy.

Peripheral nerve deficits give rise to motor and sensory impairments within the limb. The clinical restoration of extensive segmental nerve defects through autologous nerve transplantation often encounters challenges such as axonal mismatch and suboptimal functional recovery. These issues may stem from the limited regenerative capacity of proximal axons and the subsequent Wallerian degeneration of distal axons. To achieve the integration of sensory and motor functions, a spatially differential plasmid DNA (pDNA) dual-delivery nanohydrogel conduit scaffold is devised. This innovative scaffold facilitates the localized administration of the transforming growth factor ß (TGF-ß) gene in the proximal region to accelerate nerve regeneration, while simultaneously delivering nicotinamide mononucleotide adenylyltransferase 2 (NMNAT2) to the distal region to mitigate Wallerian degeneration. By promoting autonomous and selective alignment of nerve fiber gap sutures via structure design, the approach aims to achieve a harmonious unification of nerve regeneration, neuromotor function, and sensory recovery. It is anticipated that this groundbreaking technology will establish a robust platform for gene delivery in tissue engineering.

Contrasting PRRSV temporal lineage patterns at the individual farm, production system, and regional levels in Ohio and neighboring states from 2017 to 2021.

Porcine reproductive and respiratory virus (PRRSV), one of the most significant viruses in the swine industry, has been challenging to control due to its high mutation and recombination rates and complexity. This retrospective study aimed to describe and compare the distribution of PRRSV lineages obtained at the individual farm, production system, and regional levels. PRRSV-2 (type 2) sequences (n = 482) identified between 2017 - 2021 were provided by a regional state laboratory (Ohio Department of Agriculture, Animal Disease Diagnostic Center (ODA-ADDL)) collected from swine farms in Ohio and neighboring states, including Indiana, Michigan, Pennsylvania, and West Virginia. Additional sequences (n = 138) were provided by one collaborating swine production system. The MUSCLE algorithm on Geneious Prime® was used to align the ORF5 region of PRRSV-2 sequences along with PRRSV live attenuated vaccine strains (n = 6) and lineage anchors (n = 169). Sequenced PRRSV-2 were assigned to the most identical lineage anchors/vaccine strains. Among all sequences (n = 620), 29.8% (185/620) were ≥ 98.0% identity with the vaccine strains, where 93.5% (173/185) and 6.5% (12/185) were identical with the L5 Ingelvac PRRS® MLV and L8 Fostera® PRRS vaccine strains, respectively, and excluded from the analysis. At the regional level across five years, the top five most identified lineages included L1A, L5, L1H, L1C, and L8. Among non-vaccine sequences with production system known, L1A sequences were mostly identified (64.3% - 100.0%) in five systems, followed by L1H (0.0% - 28.6%), L1C (0.0% - 10.5%), L5 (0.0% - 14.4%), L8 (0.0% - 1.3%), and L1F (0.0% - 0.5%). Furthermore, among non-vaccine sequences with the premise identification available (n = 262), the majority of sequences from five individual farms were either classified into L1A or L5. L1A and L5 sequences coexisted in three farms, while samples submitted by one farm contained L1A, L1H, and L5 sequences. Additionally, the lineage classification results of non-vaccine sequences were associated with their restriction fragment length polymorphism (RFLP) patterns (Fisher's exact test, p < 0.05). Overall, our results show that individual farm and production system-level PRRSV-2 lineage patterns do not necessarily correspond to regional-level patterns, highlighting the influence of individual farms and systems in shaping PRRSV occurrence within those levels, and highlighting the crucial goal of within-farm and system monitoring and early detection for accurate knowledge on PRRSV-2 lineage occurrence and emergence.

A comprehensive review of chloropropanol analytical method in the context of food safety.

Chloropropanols are among the major food contaminants, and quantifying their content in food is a key food-safety issue. In response to the demand for highly sensitive and selective analysis, the scientific community is committed to continuous innovation and optimization of various analytical techniques. This paper comprehensively reviews the latest developments in chloropropanol analysis technologies and systematically compares and analyzes the working principles, application conditions, advantages, and challenges of these methods. Gas chromatography-mass spectrometry is the preferred choice for chloropropanol analysis in complex sample matrices owing to its high resolution, sensitivity, and accuracy. Electrochemical methods provide strong support for the real-time monitoring of chloropropanols because of their high selectivity and sensitivity towards electrochemically active molecules. Other techniques offer innovative solutions for the rapid and accurate analysis of chloropropanol at different levels. Finally, innovative directions for the development of chloropropanol analysis methods for food safety are highlighted.

Different regions and environments have critical roles on yield, main quality and industrialization of an industrial purple-fleshed sweetpotato (Ipomoea batatas L. (Lam.)) "Xuzishu8".

Purple-fleshed sweetpotato (PFSP) (Ipomoea batatas (L.) Lam), whose flesh is purple to dark purple, is a special variety type of sweetpotato, which has the characteristics of food crop, industrial crop and medicinal crop. The storage root (SR) of PFSP is rich in anthocyanins, starch, protein, soluble sugar, mineral elements, polyphenol, dietary fiber and so on, which has balanced and comprehensive nutritional value. And in recent years, its unique nutritional elements are increasingly known for their health functions. At present, there is no article on the characteristics and quality analysis of industrial xz8 variety. To explore the influence of different environments on the processing quality of xz8, we selected nine regions (Xuzhou, Jiawang, Pizhou, Xinyi, Peixian, Sihong, Yanchen, Xiangyang and Tianshui) to measure its yield and quality changes. The data demonstrated that xz8 has a very consistent high yield performance. In Tianshui, the anthocyanins, protein and minerals contents were significantly higher and yield also above average. Moreover, the variety with the lowest starch content exhibited the best taste. On the basis of the above results, it suggested that quite practicable to promote xz8 cultivation and suitable for processing in these areas. Thus, our present findings improve our understanding of xz8 variety and provide the basis for the industrial production of PFSP with strong prospects for success.

Assessing the role of global food commodity prices in achieving the 2030 agenda for SDGs.

Food plays a vital role in human sustenance and well-being, and the fluctuations in its price exert a significant impact on the attainment of the Sustainable Development Goals (SDGs) from social, economic, and environmental perspectives. This paper conducts an analysis utilizing data from 163 countries, revealing that an upsurge in global food commodity prices entails trade-offs with 13 SDGs, while exhibiting synergies with a few others. By considering specific food products, various types of countries, and the supply and demand shocks, further analysis confirms predominantly negative associations between spikes in food prices and the SDGs. Our findings highlight the urgent imperative to mitigate abrupt increases in food prices, such as those witnessed during the 2022 food crisis, to ensure the comprehensive fulfillment of the 2030 agenda for SDGs.

Single-Cell Microgel Encapsulation Improves the Therapeutic Efficacy of Mesenchymal Stem Cells in Treating Intervertebral Disc Degeneration via Inhibiting Pyroptosis.

While mesenchymal stem cell (MSC) shows great potentials in treating intervertebral disc degeneration, most MSC die soon after intradiscal transplantation, resulting in inferior therapeutic efficacy. Currently, bulk hydrogels are the common solution to improve MSC survival in tissues, although hydrogel encapsulation impairs MSC migration and disrupts extracellular microenvironment. Cell hydrogel encapsulation has been proposed to overcome the limitation of traditional bulk hydrogels, yet this technique has not been used in treating disc degeneration. Using a layer-by-layer self-assembly technique, we fabricated alginate and gelatin microgel to encapsulate individual MSC for treating disc degeneration. The small size of microgel allowed intradiscal injection of coated MSC. We demonstrated that pyroptosis was involved in MSC death under oxidative stress stimulation, and microgel coating suppressed pyroptosis activation by maintaining mitochondria homeostasis. Microgel coating protected MSC in the harsh disc microenvironment, while retaining vital cellular functions such as migration, proliferation, and differentiation. In a rat model of disc degeneration, coated MSC exhibits prolonged retention in the disc and better efficacy of attenuating disc degeneration, as compared with bare MSC treatment alone. Further, microgel-coated MSC exhibited improved therapeutic effects in treating disc degeneration via suppressing the activation of pyroptosis in the disc. For the first time, microgel-encapsulated MSC was used to treat disc degeneration and obtain encouraging outcomes. The developed biocompatible single-cell hydrogel is an effective strategy to protect MSC and maintain cellular functions and may be an efficacious approach to improving the efficacy of MSC therapy in treating disc degeneration. The objective of this study is to improve the efficacy of cell therapy for treating disc degeneration using single-cell hydrogel encapsulation and further to understand related cytoprotective mechanisms.

Adsorption of active polymers on attractive nanoparticles.

The adsorption of active polymers on an attractive nanoparticle (NP) is studied using Langevin dynamics simulations. The active polymers consist of an active Brownian particle (ABP) at the head and a subsequent passive polymer chain. The ABP experiences an active force of magnitude Fa. The interactions between the active polymer and NP are modeled as Lennard-Jones potential with a strength εpn. We find the critical adsorption point εpn* increases with increasing the active force Fa. The increment of εpn*, denoted as Δεpn*, due to Fa can be expressed approximately as Δεpn* ∝ Fa2.5 for the restricted rotating active polymer (RRAP) where the rotation of the head ABP is restricted and Δεpn* ∝ Fa1.7 for the freely rotating active polymer (FRAP) where the ABP rotates freely. Meanwhile, the conformation of the adsorbed polymer, such as adsorbed trains on NP and the tail near the ABP, are also dependent on Fa. When the tail near the ABP is short, the adsorption is significantly affected by the active force. However, when the tail is long, the whole polymer can be viewed as a long tail stretched by the active force and unperturbed adsorption monomers. Simulation results show that the active force has a direct and significant effect on εpn* and the structure of the adsorbed active polymers.

A dataset of low-carbon energy transition index for Chinese cities 2003-2019.

Cities are at the heart of climate change mitigation as they account for over 70% of global carbon emissions. However, cities vary in their energy systems and socioeconomic capacities to transition to renewable energy. To address this heterogeneity, this study proposes an Energy Transition Index (ETI) specifically designed for cities, and applies it to track the progress of energy transition in Chinese cities. The city-level ETI framework is based on the national ETI developed by the World Economic Forum (WEF) and comprises two sub-indexes: the Energy System Performance sub-index, which evaluates the current status of cities' energy systems in terms of energy transition, and the Transition Readiness sub-index, which assesses their socioeconomic capacity for future energy transition. The initial version of the dataset includes ETI and its sub-indexes for 282 Chinese cities from 2003 to 2019, with annual updates planned. The spatiotemporal data provided by the dataset facilitates research into the energy transition roadmap for different cities, which can help China achieve its energy transition goals.

Fabrication of a P-Si/ZnO heterojunction based on galvanic cell driven and the complete degradation of RhB via fast charge transfer.

Semiconductor heterojunctions can significantly enhance photocatalytic degradation efficiency by facilitating rapid interfacial charge transfer. This article is based on the galvanic-cell driven principle; porous silicon (P-Si) was prepared by the carbon-catalytic etching method, and ZnO was loaded on its surface via electroless chemical deposition technology to form a P-Si/ZnO heterojunction, which was applied to the degradation of Rhodamine B (RhB). At a deposition temperature of 90 °C, a flawless 1D hexagonal prism structure of ZnO was formed, allowing the P-Si/ZnO heterojunction to completely degrade RhB within 2 hours with a degradation rate of 100%. Compared with a single P-Si material, the degradation performance is improved by 1.7 times. The formation of the built-in electric field and the rapid charge transfer at the heterojunction interface realized the complete degradation of RhB organic pollutants. After 20 cycles of use, the photocatalytic degradation rate remains above 70%, demonstrating excellent stability and recyclability.

Bronchial oncocytic carcinoma in an adult: a case report and literature review.

BACKGROUND: Lung salivary-type tumors originating from bronchial submucosal glands are rare, only four types of salivary gland-type tumors are listed in 2015 WHO classification of lung tumors. Here, we report a rare case of oncocytic carcinoma (OC) in the right main bronchus. CASE PRESENTATION: A 34-year-old man presented to our hospital with a two-month history of recurrent hemoptysis and with one month of inspiratory dyspnea. Pulmonary function tests showed mild restrictive ventilatory dysfunction and severe diffusion dysfunction. Furthermore, the flow volume loop showed a variable extra-thoracic obstruction. Computed tomography (CT) of the chest revealed that a polypiform nodule of 13 mm in diameter was at the proximal right main bronchus. Testing for purified protein derivative was positive (category 2). The nodule was resected under bronchoscopy. The bronchial aspirate was negative for mycobacterium tuberculosis and tumor cells. The biopsy sample showed a solid and acinar predominant pattern with abundant eosinophilic cytoplasm. The bronchial mucosa was destroyed and replaced by tumor cells. The loose edematous stromal reaction could be seen in a local area. Immunohistochemically, tumor cells were positive for CK, EMA, Vimentin, CD117, CK7, S100, Mammaglobin and SOX10. Only scattered tumor cells were stained by basal cell markers, including CK5/6, P40 and P63. Electron microscopy revealed numerous swelling mitochondria with lacking mitochondrial cristae in tumor cells. Fluorescence in situ hybridization (FISH) testing for MAML2 and ETV6 rearrangement were negative. Next-generation sequencing analysis of 520 genes in the tissue biopsy specimen showed no somatic mutation. The diagnosis of OC was made. Subsequently, the patient underwent a right upper lobectomy with sleeve resection of the main bronchus and lymph dissection. No recurrent evidence was seen during two years of chest CT follow-up. CONCLUSIONS: To our knowledge, this is the first case of primary OC in the bronchus. This patient has no recurrence during two years of follow-up, indicating that primary OC in the bronchus has the same favorable prognosis as in salivary glands. Moreover, complete excision and thorough sampling to know the invasive growth pattern is important to reach the correct diagnosis.

Explainable survival analysis with uncertainty using convolution-involved vision transformer.

Image-based precision medicine research is able to help doctors make better decisions on treatments. Among all kinds of medical images, a special form is called Whole Slide Image (WSI), which is used for diagnosing patients with cancer, aiming to enable more accurate survival prediction with its high resolution. However, One unique challenge of the WSI-based prediction models is processing the gigabyte-size or even terabyte-size WSIs, which would make most models computationally infeasible. Although existing models mostly use a pre-selected subset of key patches or patch clusters as input, they might discard some important morphology information, making the prediction inferior. Another challenge is improving the prediction models' explainability, which is crucial to help doctors understand the predictions given by the models and make faithful decisions with high confidence. To address the above two challenges, in this work, we propose a novel explainable survival prediction model based on Vision Transformer. Specifically, we adopt dual-channel convolutional layers to utilize the complete WSIs for more accurate predictions. We also introduce the aleatoric uncertainty into our model to understand its limitation and avoid overconfidence in using the prediction results. Additionally, we present a post-hoc explainable method to identify the most salient patches and distinct morphology features as supporting evidence for predictions. Evaluations of two large cancer datasets show that our proposed model is able to make survival predictions more effectively and has better explainability for cancer diagnosis.

Combined toxic effects of perfluorooctanoic acid and microcystin-LR on submerged macrophytes and biofilms.

Perfluorooctanoic acid (PFOA) and microcystin-LR (MCLR) are pervasive pollutants in surface waters that induce significant toxic effects on aquatic organisms. However, the combined environmental risk of PFOA and MCLR remains unclear. To assess the toxic effects of PFOA and MCLR on submerged macrophytes and biofilms, Vallisneria natans was exposed to different concentrations of PFOA and MCLR (0.01, 0.1, 1.0 and 10.0 µg L-1). Vallisneria natans was sensitive to high concentrations of MCLR (10 µg L-1): plants exposed to 10 µg L-1 of MCLR measured a biomass of 3.46 g, which was significantly lower than the 8.71 g of the control group. Additionally, antagonistic interactive effects were observed in plants exposed to combined PFOA and MCLR. Exposure to these pollutants adversely affected photosynthesis of the plants and triggered peroxidation that promoted peroxidase, superoxide dismutase and catalase activities, and increased malondialdehyde and glutathione concentrations. The total chlorophyll content was lower in the highest concentration of the combined treatment group (0.443 mg g-1) than in the control group (0.534 mg g-1). Peroxidase activity increased from 662.63 U mg-1 Pr to 1193.45 U mg-1 Pr with increasing PFOA concentrations. Metabolomics indicated that the stress tolerance of Vallisneria natans was improved via altered fatty acid metabolism, hormone metabolism and carbon metabolism. Furthermore, PFOA and MCLR influenced the abundance and structure of the microbial community in the biofilms of Vallisneria natans. The increased contents of autoinducer peptide and N-acylated homoserine lactone signaling molecules indicated that these pollutants altered the formation and function of the biofilm. These results expand our understanding of the combined effects of PFOA and MCLR in aquatic ecosystems.

A Redox Homeostasis Modulatory Hydrogel with GLRX3+ Extracellular Vesicles Attenuates Disc Degeneration by Suppressing Nucleus Pulposus Cell Senescence.

Characterized by nucleus pulposus (NP) cell senescence and extracellular matrix (ECM) degradation, disc degeneration is a common pathology for various degenerative spinal disorders. To date, effective treatments for disc degeneration are absent. Here, we found that Glutaredoxin3 (GLRX3) is an important redox-regulating molecule associated with NP cell senescence and disc degeneration. Using a hypoxic preconditioning method, we developed GLRX3+ mesenchymal stem cell-derived extracellular vehicles (EVs-GLRX3), which enhanced the cellular antioxidant defense, thus preventing reactive oxygen species (ROS) accumulation and senescence cascade expansion in vitro. Further, a disc tissue-like biopolymer-based supramolecular hydrogel, which was injectable, degradable, and ROS-responsive, was proposed to deliver EVs-GLRX3 for treating disc degeneration. Using a rat model of disc degeneration, we demonstrated that the EVs-GLRX3-loaded hydrogel attenuated mitochondrial damage, alleviated the NP senescence state, and restored ECM deposition by modulating the redox homeostasis. Our findings suggested that modulation of redox homeostasis in the disc can rejuvenate NP cell senescence and thus attenuate disc degeneration.

Improving the efficiency of ternary organic solar cells by reducing energy loss.

Effectively reducing the voltage loss in organic solar cells (OSCs) is critical to improving the power conversion efficiency (PCE) of OSCs. In this study, highly efficient ternary OSCs were constructed by adding a non-fullerene acceptor Qx2 with a high open-circuit voltage (VOC) and low energy loss (Eloss) into PM6:m-BTP-PhC6 based binary devices. The third component Qx2 shows slightly complementary absorption with m-BTP-PhC6 and also optimizes the molecular packing, orientation, and morphology of the active layer. Moreover, the incorporation of Qx2 reduced the energetic disorder and improved the electroluminescence quantum efficiency, which suppresses the Eloss and further leads to a higher VOC than the PM6:m-BTP-PhC6 binary blend. Consequently, synergetic enhancements of VOC, short circuit current (JSC), and fill factor (FF) are realized, resulting in the PCE of 18.60%. This work shows that the selection of the appropriate third component has positive implications for reducing Eloss and improving the PCE of OSCs.

Photodegradation fate of different dissociation species of antidepressant paroxetine and the effects of metal ion Mg2+: Theoretical basis for direct and indirect photolysis.

Paroxetine (abbreviated as PXT) has been widely used as one of the standard antidepressants for the treatment of depression. PXT has been detected in the aqueous environment. However, the photodegradation mechanism of PXT remains unclear. The present study aimed to use density functional theory and time-dependent density functional theory to study the photodegradation process of two dissociated forms of PXT in water. The main mechanisms include direct and indirect photodegradation via reaction with ·OH and 1O2 and photodegradation mediated by the metal ion Mg2+. Based on the calculations, PXT and PXT-Mg2+ complexes in water are photodegraded mainly indirectly and directly. It was found that PXT and PXT-Mg2+ complexes were photodegraded by H-abstraction, OH-addition and F-substitution. The main reaction of PXT indirect photolysis is OH-addition reaction, while the main reaction of PXT0-Mg2+ complex is H-abstraction. All the reaction pathways of H-abstraction, OH-addition and F-substitution are exothermic. PXT0 reacts more readily with ·OH or 1O2 in water than PXT+. However, the higher activation energy of PXT with 1O2 indicates that the 1O2 reaction plays a minor role in the photodegradation pathway. The direct photolysis process of PXT includes ether bond cleavage, defluorination, and dioxolane ring-opening reaction. In the PXT-Mg2+ complex, the direct photolysis process occurs via a dioxolane ring opening. Additionally, Mg2+ in water has a dual effect on the direct and indirect photolysis of PXT. In other words, Mg2+ can inhibit or promote their photolytic reactions. Overall, PXT in natural water mainly undergo direct and indirect photolysis reactions with ·OH. The main products include direct photodegradation products, hydroxyl addition products and F-substitution products. These findings provide critical information for predicting the environmental behavior and transformation of antidepressants.

The Drosophila chemokine-like Orion bridges phosphatidylserine and Draper in phagocytosis of neurons.

Phagocytic clearance of degenerating neurons is triggered by "eat-me" signals exposed on the neuronal surface. The conserved neuronal eat-me signal phosphatidylserine (PS) and the engulfment receptor Draper (Drpr) mediate phagocytosis of degenerating neurons in Drosophila. However, how PS is recognized by Drpr-expressing phagocytes in vivo remains poorly understood. Using multiple models of dendrite degeneration, we show that the Drosophila chemokine-like protein Orion can bind to PS and is responsible for detecting PS exposure on neurons; it is supplied cell-non-autonomously to coat PS-exposing dendrites and to mediate interactions between PS and Drpr, thus enabling phagocytosis. As a result, the accumulation of Orion on neurons and on phagocytes produces opposite outcomes by potentiating and suppressing phagocytosis, respectively. Moreover, the Orion dosage is a key determinant of the sensitivity of phagocytes to PS exposed on neurons. Lastly, mutagenesis analyses show that the sequence motifs shared between Orion and human immunomodulatory proteins are important for Orion function. Thus, our results uncover a missing link in PS-mediated phagocytosis in Drosophila and imply conserved mechanisms of phagocytosis of neurons.

Computational Study of Photodegradation Process and Conversion Products of the Antidepressant Citalopram in Water.

Citalopram (CIT) is a commonly prescribed medication for depression. However, the photodegradation mechanism of CIT has not yet been fully analyzed. Therefore, the photodegradation process of CIT in water is studied by density functional theory and time-dependent density functional theory. The calculated results show that during the indirect photodegradation process, the indirect photodegradation of CIT with ·OH occurs via OH-addition and F-substitution. The minimum activation energy of C10 site was 0.4 kcal/mol. All OH-addition and F-substitution reactions are exothermic. The reaction of 1O2 with CIT includes the substitution of 1O2 for F and an addition reaction at the C14 site. The Ea value of this process is 1.7 kcal/mol, which is the lowest activation energy required for the reaction of 1O2 with CIT. C-C/C-N/C-F cleavage is involved in the direct photodegradation process. In the direct photodegradation of CIT, the activation energy of the C7-C16 cleavage reaction was the lowest, which was 12.5 kcal/mol. Analysis of the Ea values found that OH-addition and F-substitution, the substitution of 1O2 for F and addition at the C14 site, as well as the cleavage reactions of C6-F/C7-C16/C17-C18/C18-N/C19-N/C20-N are the main pathways of photodegradation of CIT.