Vacuum ammonia stripping from liquid digestate: Effects of pH, alkalinity, temperature, negative pressure and process optimization.

High ammonia-nitrogen digestate has become a key bottleneck limiting the anaerobic digestion of organic solid waste. Vacuum ammonia stripping can simultaneously remove and recover ammonia nitrogen, which has attracted a lot of attention in recent years. To investigate the parameter effects on the efficiency and mass transfer, five combination conditions (53 °C 15 kPa, 60 °C 20 kPa, 65 °C 25 kPa, 72 °C 35 kPa, and 81 °C 50 kPa) were conducted for ammonia stripping of sludge digestate. The results showed that 80% of ammonia nitrogen was stripped in 45 min for all experimental groups, but the ammonia transfer coefficient varied under different conditions, which increased with the rising of boiling point temperature, and reached the maximum value (39.0 mm/hr) at 81 °C 50 kPa. The ammonia nitrogen removal efficiency was more than 80% for 30 min vacuum stripping after adjusting the initial pH to above 9.5, and adjustment of the initial alkalinity also affects the pH value of liquid digestate. It was found that pH and alkalinity are the key factors influencing the ammonia nitrogen dissociation and removal efficiency, while temperature and vacuum mainly affect the ammonia nitrogen mass transfer and removal velocity. In terms of the mechanism of vacuum ammonia stripping, it underwent alkalinity destruction, pH enhancement, ammonia nitrogen dissociation, and free ammonia removal. In this study, two-stage experiments of alkalinity destruction and ammonia removal were also carried out, which showed that the two-stage configuration was beneficial for ammonia removal. It provides a theoretical basis and practical technology for the vacuum ammonia stripping from liquid digestate of organic solid waste.

Bioenergy recovery and carbon emissions benefits of short-term bio-thermophilic pretreatment on low organic sewage sludge anaerobic digestion: A pilot-scale study.

Sewage sludge in cities of Yangzi River Belt, China, generally exhibits a lower organic content and higher silt contentdue to leakage of drainage system, which caused low bioenergy recovery and carbon emission benefits in conventional anaerobic digestion (CAD). Therefore, this paper is on a pilot scale, a bio-thermophilic pretreatment anaerobic digestion (BTPAD) for low organic sludge (volatile solids (VS) of 4%) was operated with a long-term continuous flow of 200 days. The VS degradation rate and CH4 yield of BTPAD increased by 19.93% and 53.33%, respectively, compared to those of CAD. The analysis of organic compositions in sludge revealed that BTPAD mainly improved the hydrolysis of proteins in sludge. Further analysis of microbial community proportions by high-throughput sequencing revealed that the short-term bio-thermophilic pretreatment was enriched in Clostridiales, Coprothermobacter and Gelria, was capable of hydrolyzing acidified proteins, and provided more volatile fatty acid (VFA) for the subsequent reaction. Biome combined with fluorescence quantitative polymerase chain reaction (PCR) analysis showed that the number of bacteria with high methanogenic capacity in BTPAD was much higher than that in CAD during the medium temperature digestion stage, indicating that short-term bio-thermophilic pretreatment could provide better methanogenic conditions for BTPAD. Furthermore, the greenhouse gas emission footprint analysis showed that short-term bio-thermophilic pretreatment could reduce the carbon emission of sludge anaerobic digestion system by 19.18%.

Role of Iodine Status and Lifestyle Behaviors on Goiter among Children and Adolescents: A Cross-Sectional Study in Zhejiang Province, China.

BACKGROUND: Iodine deficiency is a well-established cause of goiter, while the impact of lifestyle factors on goiter development remains underexplored. The study aims to explore the associations between iodine status, lifestyle factors, and the prevalence of goiter among children and adolescents in Zhejiang Province, China. METHODS: A cross-sectional survey was conducted in 2022 using a stratified multistage sampling, involving 2261 children aged 6-17. Among these 1562 participants underwent both urinalysis and thyroid ultrasound. Lifestyle factors were assessed through self-reported questionnaires. RESULTS: The prevalence of goiter in the study population was 10.8%. A high urinary iodine concentration (UIC) (>300 µg/L) was significantly associated with a decreased risk of goiter (OR = 0.49, 95%CI: 0.27-0.88). Excessive recreational screen time and a high frequency of dining out were associated with an increased Tvol, while adequate physical activity and sleep were inversely associated with goiter risk, while the combined effect of high UIC and healthy lifestyle showed a protective effect against goiter. CONCLUSION: Ensuring adequate iodine status and promoting healthy lifestyles are crucial for preventing goiter and enhancing thyroid health in children and adolescents, suggesting that public health strategies should integrate nutritional and lifestyle interventions.

Influence of spatial and temporal diversity and succession of microbial communities on physicochemical properties and flavor substances of soy sauce.

In this study, the influence and relationship between the microbial structure composition at different spatial locations during soy sauce fermentation and the quality of soy sauce were investigated. Within 3-7 days of fermentation, the abundance of Chromohalobacter in the surface and upper layers of moromi was initially high but subsequently decreased. In contrast, Tetragenococcus exhibited low abundance on the surface of moromi at the beginning of fermentation but emerged as the absolute dominant bacteria by the end of the fermentation process. Throughout the fermentation period of 3-42 days, Staphylococcus and Bacillus were the predominant bacterial genera observed at the bottom of the moromi. In addition, Halanaerobium was the dominant bacterial genus in the crude soy sauce layer throughout the fermentation process. Tetragenococcus and Zygosaccharomyces were strongly positively correlated with total acid and ammonia nitrogen. Bacillus and Staphylococcus were significantly negatively correlated with the salt content.

Exploring the variations in molecular characteristics of dissolved organic matter driven by aquaculture types.

In recent decades, global aquaculture has expanded rapidly, raising concerns about coastal environmental degradation due to unregulated or poorly regulated discharge of aquaculture tailwater. Despite the crucial role of dissolved organic matter (DOM) in biogeochemical processes and aquatic biodiversity, the influence of aquaculture type on the molecular characteristics of DOM remains largely unexplored. Herein, this study investigated the variations in chemical and spectroscopic properties as well as molecular characteristics and composition of DOM across different aquaculture types including crustacean, fish and shellfish. Our findings revealed notable differences in DOM quantities among different aquaculture types, with crustacean and fish aquaculture water containing higher DOM amount compared to shellfish aquaculture water. This disparity can be attributed to the more frequent formulated feeds of crustacean and fish in contrast to shellfish aquaculture. Furthermore, distinct differences were also observed in the characteristics and composition of DOM among the different aquaculture waters. Specifically, DOM in shellfish aquaculture water exhibited a higher abundance of unsaturated and reduced molecules as well as increased aromaticity compared to the other two aquaculture waters. Conversely, DOM from fish aquaculture water showed a greater contribution from terrestrial origin characterized by elevated levels of plant-based components such as lignin-like and tannin-like compounds. Interestingly, DOM from shellfish aquaculture water contained lower levels of microbial-derived components such as lipid-like and protein-like compounds, likely due to reduced microorganism populations resulting from lower nutrients availability and higher salinity. Overall, these significant variations in characteristics and composition of DOM underscore the potential impacts of aquaculture type on the DOM biogeochemical cycle and the environmental quality in aquatic ecosystems.

Leaching behavior of microplastics during sludge mechanical dewatering and its effect on activated sludge.

Dewatering is an indispensable link in sludge treatment, but its effect on the microplastics (MPs) remains inadequately understood. This study investigated the physicochemical changes and leaching behavior of MPs during the mechanical dewatering of sludge, as well as the impact of MP leachates on activated sludge (AS). After sludge dewatering, MPs exhibit rougher surfaces, decreased sizes and altered functional groups due to the addition of dewatering agents and the application of mechanical force. Meanwhile, plastic additives, depolymerization products, and derivatives of their interactions are leached from MPs during sludge dewatering process. The concentration of MP-based leachates in sludge is 2-25 times higher than that in water. The enhancement of pH and ionic strength caused by dewatering agents induces the release of MP leachates enriched with protein-like, fulvic acid-like, and soluble microbial by-product-like substances. The reflux of MP leachates in sludge dewatering liquor to the wastewater treatment system negatively impacts AS, leading to a decrease in COD removal rate and inhibition of the extracellular polymeric substances secretion. More importantly, MP leachates cause oxidative stress to microbial cells and alter the microbial community structure of AS at the phylum and genus levels. These findings confirm that MPs undergo aging and leaching during sludge dewatering process, and MP leachates may negatively affect the wastewater treatment system.

Exploration of Unconventional excitation wavelength and dynamic emission in rare-earth doped multilayer core-shell Structures: Application for optical "Hard" and "Soft" switching.

Optical switches are increasingly acknowledged for their potential advantages over mechanical counterparts in various domains. However, research on optical switches remains relatively nascent, primarily focusing on applications like anti-counterfeiting, switching chemical reactions, etc., while neglecting the control of photocurrent switching. Here, we have developed NaYF4:30 %Er-NaYF4-NaYF4:20 %Ho-NaYF4 core-shell nanocrystals with unique upconversion (UC) multi-color emission properties under 1530 nm, 980 nm and 1150 nm laser excitations. These nanocrystals allow for optical control of circuit switching by modulating photocurrent signals in photosensitive circuits. The UC emission is due to the self-sensitization of rare earth ions in the core and shell. By adjusting the intermediate shell thickness, we have optimized the luminescence and investigated the mechanism. Combining these nanocrystals with a WO3 quantum dots (QDs) photochromic hydrogel, dynamic variation of UC emissions could be realized. Moreover, by combining with a commercial silicon photodetector, we constructed a photosensitive circuit demonstrating the modulation of photocurrent signal output and realized the "hard switching" of rapid circuit cutoff. Furthermore, by using the photochromic effect of WO3 QDs, the "soft switching" of slow circuit cutoff and recovery were also achieved. This work has significant implications for the development and application such as energy management system and smart home of optical switches in various fields.

Reversible pH-switchable NIR-II nano-photosensitizer for precise imaging and photodynamic therapy of tumors.

Photodynamic therapy (PDT) has attracted widespread attention from researchers as an emerging cancer treatment method. There have been many reports on various types of NIR-II photosensitizers for imaging and treatment of tumor sites. However, there are few reports on the development of NIR-II organic small molecule photosensitizers that have intelligent response to the tumor microenvironment, precise imaging, real-time treatment, and high biocompatibility. In this work, we developed a series of NIR-II photosensitizers (RBTs) with near-infrared excitation, good photostability, and large Stokes shift. Among them, RBT-Br exhibited higher reactive oxygen species (ROS) generation efficiency due to the introduction of halogen heavy atoms to enhance intersystem crossing (ISC). It is noteworthy that RBT-Br can generate singlet oxygen (1O2) and superoxide anion radicals (•O2-) simultaneously under 730 nm laser. Subsequently, we used molecular engineering technology to construct three pH-responsive NIR-II photosensitizers (RBT-pHs) by utilizing the closure of the lactam ring, among which RBT-pH-1 (pKa = 6.78) is able to be directionally activated under the stimulation of tumor micro-acid environment, with its fluorescence emission window reaching 933 nm. Subsequently, RBT-pH-1 NPs encapsulated in DSPE-mPEG5k were applied for PDT treatment of mouse tumors. The results showed that RBT-pH-1 NPs were activated by the acidic tumor microenvironment and generated ROS under laser excitation, exhibiting precise tumor imaging and significant tumor growth inhibition. We look forward to these multifunctional NIR-II organic small molecule photosensitizers providing a more efficient approach for clinical treatment of tumors. STATEMENT OF SIGNIFICANCE: A reversible pH-switchable NIR-II nano-photosensitizer RBT-pH-1 NPs (pKa = 6.76) is developed for precise imaging and PDT therapy of mouse tumors, which can be effectively used for targeted enrichment and activation of tumor micro-acid environments. The results show that this NIR-II photosensitizer generates ROS through tumor micro-acid environment stimulation and laser triggering, showing precise tumor imaging guidance and significant tumor growth inhibition.

Ultrasound-assisted extraction, optimization, and purification of total flavonoids from Daphnegenkwa and analysis of their antioxidant, anti-inflammatory, and analgesic activities.

Daphne genkwa (D. genkwa) is the dried flower buds of a Chinese medicinal plant with multiple biological activities. Response surface methodology (RSM) combined with artificial neural network (ANN) techniques were utilized to optimize ultrasound-assisted extraction conditions for D. genkwa. Antioxidant activity and anti-inflammatory and analgesic properties of total flavonoids from D. genkwa (TFDG) were assessed. Optimal conditions involving ultrasonic power of 225 W, 30 min extraction time, 30 mL/g liquid-solid ratio, 60 °C extraction temperature, and 70% ethanol concentration yielded a maximum total flavonoids content (TFC) of 5.41 mg/g. After microporous resin purification, four specific flavonoids in D. genkwa were identified and quantified using high-performance liquid chromatography (HPLC). The TFDG demonstrated potent antioxidant activity, with a 94% rate of scavenging the 2, 2-diphenyl-1-picrylhydrazyl (DPPH). Furthermore, TFDG exhibited pain-alleviating properties in hot plate and acetic acid-induced writhing tests and noteworthy inhibitory effects on xylene-induced ear swelling in mice. The total flavonoids extracted by ultrasound had excellent biological activity. This establishes a foundation for further investigation into the potential medical value of D. genkwa.

The evolution of structural characteristics and redox properties of humin during the composting of sludge and corn straw.

Humins (HMs), the insoluble faction of humic substances (HSs), play a pivotal role in the bioremediation of pollutants by acting as electron shuttles that modulate the interactions between microorganisms and pollutants. This crucial function is intricately linked to their structural composition and electron transfer capabilities. However, the dynamics of the electron transfer capacity (ETC) of HM extracted during the composting process and its determinants have yet to be fully elucidated. This study undertakes a comprehensive analysis of the ETC of HM derived from composting, employing electrochemical techniques alongside spectroscopic methods and elemental analysis to explore the influencing factors, including the electron accepting capacity (EAC), electron donating capacity (EDC), and electron reversible rate (ERR). Our findings reveal substantial variations in the EAC and EDC of HM throughout the composting process, with EAC values ranging from 133.03-220.98 µmol e- gC-1 and EDC values from 111.17-229.33 µmol e- gC-1. Notably, the composting process enhances the ERR and EDC of HM while diminishing their EAC. This shift is accompanied by an augmented presence of aromatic structures, polar functional groups, quinones, and nitrogen - and sulfur-containing moieties, thereby boosting the HM's EDC. Conversely, the reduction in EAC is associated with a decline in lignin carbon content and the abundance of oxygen-containing moieties, as well as the diminishment of visible fulvic-like and protein-like substances within HM. Importantly, humic-like substances and nitrogen-containing moieties within HM demonstrated the capacity for repeated electron transfer, underscoring their significance in the context of environmental remediation.

Enhanced Cu2+ and Cd2+ removal by a novel co-pyrolysis biochar derived from sewage sludge and phosphorus tailings: adsorption performance and mechanisms.

The reutilization of municipal wastes has always been one of the hottest subjects of sustainable development study. In this study, a novel biochar co-pyrolyzed from municipal sewage sludge and phosphorus tailings was produced to enhance the adsorption performance of the composite on Cu2+ and Cd2+. The maximum Cu2+ and Cd2+ adsorption capacity of SSB-PT were 44.34 and 45.91 mg/g, respectively, which were much higher than that of sewage sludge biochar (5.21 and 4.58 mg/g). Chemisorption dominated the whole adsorption process while multilayer adsorption and indirect interaction were also involved. According to the result of X-ray diffraction (XRD), Fourier transform infrared (FT-IR) spectroscopy and X-ray photoelectron spectrum (XPS), the load of CO32-, Mg2+, and Ca2+ on the surface of SSB-PT enhanced the precipitation and ion exchange effect. Posnjakite and CdCO3 were formed after the adsorption of Cu2+ and Cd2+, respectively. Besides, complexation, and metal-π interaction were also involved during the adsorption process. Therefore, this study offered a promising method to reuse sewage sludge and phosphorus tailings as an effective adsorbent.

Biochar applications for efficient removal of energetic compound contaminants.

Military activities and the production or disposal of ammunition often lead to soil contamination with energetic compounds (ECs) such as dinitrotoluene, trinitrotoluene, and hexogen, posing significant threats to human health and the ecosystem. Biochar has emerged as a cost-effective and widely available solution for remediating contaminated sites characterized by its capacity for pollutant removal through adsorption and conversion process, along with minimal secondary pollution. This paper provides a comprehensive review of relevant literature on biochar's efficacy in eliminating ECs, including an analysis of the underlying mechanisms. The discussion addresses challenges and opportunities associated with biochar application in ECs remediation, offering insights for future research directions. In summary, the use of biochar for ECs removal presents a promising and eco-friendly approach, facilitating the remediation of contaminated sites while promoting soil function and ecosystem recovery.

Predicting gastric cancer response to anti-HER2 therapy or anti-HER2 combined immunotherapy based on multi-modal data.

The sole use of single modality data often fails to capture the complex heterogeneity among patients, including the variability in resistance to anti-HER2 therapy and outcomes of combined treatment regimens, for the treatment of HER2-positive gastric cancer (GC). This modality deficit has not been fully considered in many studies. Furthermore, the application of artificial intelligence in predicting the treatment response, particularly in complex diseases such as GC, is still in its infancy. Therefore, this study aimed to use a comprehensive analytic approach to accurately predict treatment responses to anti-HER2 therapy or anti-HER2 combined immunotherapy in patients with HER2-positive GC. We collected multi-modal data, comprising radiology, pathology, and clinical information from a cohort of 429 patients: 310 treated with anti-HER2 therapy and 119 treated with a combination of anti-HER2 and anti-PD-1/PD-L1 inhibitors immunotherapy. We introduced a deep learning model, called the Multi-Modal model (MuMo), that integrates these data to make precise treatment response predictions. MuMo achieved an area under the curve score of 0.821 for anti-HER2 therapy and 0.914 for combined immunotherapy. Moreover, patients classified as low-risk by MuMo exhibited significantly prolonged progression-free survival and overall survival (log-rank test, P < 0.05). These findings not only highlight the significance of multi-modal data analysis in enhancing treatment evaluation and personalized medicine for HER2-positive gastric cancer, but also the potential and clinical value of our model.

Strategy to optimize the broadband near-infrared emission based on Eu2+-doped sulfureted garnet phosphors toward emerging spectroscopy applications.

Eu2+-doped near-infrared (NIR) emitting phosphors, known for their high efficiency, broadband emission and spectral tunability, have gained much attention. However, achieving efficient NIR emission based on Eu2+ remains a challenge due to the co-existence of Eu3+, especially in materials (i.e. garnets and apatites) containing trivalent lanthanide cations. In this study, a Eu2+ doped sulfureted NIR-emitting garnet phosphor Ca3(Sc, Eu)2Si3(O, S)12: Eu2+ is successfully designed and synthesized. Notably, a strategy for regulating the initial valence state of dopants is proposed by using prepared EuS instead of the conventional Eu2O3 as raw material, enhancing the NIR emission by 135 %. Moreover, a sulfuration strategy is further introduced to enhance the NIR-emitting intensity and internal quantum efficiency by 192 % and 167.8 %, and to improve thermal stability by 154 % at 120 °C. The luminescence origin of the unusual broadband NIR emission is re-examined through chemical unit co-substitution strategy by introducing [Al3+Hf4+] to replace [Sc3+Si4+] ion pairs. Meanwhile, the spectral regulation and the performance optimization mechanism are systematically discussed. Finally, a green light pumped NIR LED device with a photoelectric efficiency of 9.43 %@100 mA and output power of 22.74 mW@100 mA is fabricated, showing remarkable potential in nondestructive testing and biomedical imaging applications.

Ultrastable monolithic electrodes with single-atom platinum-oxygen sites for efficient hydrogen evolution in acidic conditions.

PtNC single-atom catalysts (SACs) single-atom catalysts (SACs) are promising for acidic hydrogen evolution reaction (HER) but suffer from instability at high current densities, limiting their large-scale application. Herein, PtO bonds are constructed to securely anchor atomically dispersed Pt for single-atom (SA) catalysis, utilizing etched vertical graphene (EVG) nanosheets as monolithic supports (Pt-SAs/EVG). Compared to PtNC, the resultant PtO4 coordination demonstrates improved stability while maintaining significant catalytic activity. When applying this catalyst in the acidic HER, a high turnover frequency (34.6 s-1) is achieved at 70 mV, accompanied by exceptional durability exceeding 100 h at -100 mA cm-2. Theoretical analyses indicate that the PtO bonds confer stability to the Pt atoms, facilitating the efficient adsorption of protons and the subsequent desorption of hydrogen. The prepared Pt-SAs/EVG can also be directly employed as the cathode to afford stable operation at 0.5 A cm-2 in a proton exchange membrane electrolyzer cell. This study offers novel insights into enhancing the performance of SACs for industrial applications in electrocatalysis.

Open-source hardware and software for the measurement, characterization, reporting, and correction of geometric distortion in MRI.

BACKGROUND: Geometric distortion is a serious problem in MRI, particularly in MRI guided therapy. A lack of affordable and adaptable tools in this area limits research progress and harmonized quality assurance. PURPOSE: To develop and test a suite of open-source hardware and software tools for the measurement, characterization, reporting, and correction of geometric distortion in MRI. METHODS: An open-source python library was developed, comprising modules for parametric phantom design, data processing, spherical harmonics, distortion correction, and interactive reporting. The code was used to design and manufacture a distortion phantom consisting of 618 oil filled markers covering a sphere of radius 150 mm. This phantom was imaged on a CT scanner and a novel split-bore 1.0 T MRI magnet. The CT images provide distortion-free dataset. These data were used to test all modules of the open-source software. RESULTS: All markers were successfully extracted from all images. The distorted MRI markers were mapped to undistorted CT data using an iterative search approach. Spherical harmonics reconstructed the fitted gradient data to 1.0 ± 0.6% of the input data. High resolution data were reconstructed via spherical harmonics and used to generate an interactive report. Finally, distortion correction on an independent data set reduced distortion inside the DSV from 5.5 ± 3.1 to 1.6 ± 0.8 mm. CONCLUSION: Open-source hardware and software for the measurement, characterization, reporting, and correction of geometric distortion in MRI have been developed. The utility of these tools has been demonstrated via their application on a novel 1.0 T split bore magnet.

Combination of eribulin and anlotinib exerts synergistic cytotoxicity in retroperitoneal liposarcoma by inducing endoplasmic reticulum stress.

Primary retroperitoneal liposarcoma (RLPS) is a rare heterogeneous tumor occurring within retroperitoneal space, and its overall survival has not improved much in the past few decades. Based on a small-sample clinical practice at our center, patients with RLPS can greatly benefit from anlotinib and eribulin combination. In this study, we investigated the combinational effect of anlotinib and eribulin on RLPS. In vitro experiments revealed that a low dose of anlotinib significantly enhances the cytotoxic effects of eribulin, leading to a remarkable suppression of RLPS cell proliferation, viability, colony formation, migration, and cell-cycle progression compared to individual drug treatments. At the organoid level, the combination treatment causes the spheroids in Matrigel to disintegrate earlier than the single-drug group. In vivo, RLPS patient-derived xenograft (PDX) models demonstrated that the combination of these two drugs can obviously exert a safe and effective anti-tumor effect. Through transcriptome analysis, we uncovered and validated that the synergistic effect mainly is induced by the endoplasmic reticulum stress (ERS) pathway both in vitro and in vivo. Further analyses indicate that anlotinib plus eribulin treatment results in micro-vessel density and PD-L1 expression alterations, suggesting a potential impact on the tumor microenvironment. This study extensively explored the combination regimen at multiple levels and its underlying molecular mechanism in RLPS, thus providing a foundation for translational medicine research.

[Correlation of environment temperature with the incidence of testicular torsion].

Objective： To explore the influence of environment temperature on the incidence of testicular torsion. METHODS: We collected the clinical data on 172 cases of testicular torsion diagnosed in the Second Hospital of Hebei Medical University from December 2013 to December 2020. According to the local environment temperature on the day of onset, we divided the patients into groups A (below 0℃), B (0－10℃), C (10－20℃) and D (above 20℃), and compared the incidence rates of testicular torsion among the four groups, followed by correlation analysis. RESULTS: The incidence rate of testicular torsion was 12.8% (n = 22) in group A, 35.5% (n = 61) in B, 34.9% (n = 60) in C and 16.9% (n = 29) in D, the highest at 0－10℃ in group B, with statistically significant difference among the four groups (χ2 = 29.07, P <0.001). Spearman correlation analysis indicated that the incidence of testicular torsion was negatively correlated with the environment temperature (r = －0.261, P <0.01), with no statistically significant difference among different seasons (χ2 = 5.349, P >0.05), but higher in autumn and winter than in the other two seasons. CONCLUSION: The incidence of testicular torsion is negatively correlated with the environment temperature, elevated when the temperature decreases, but has no statistically significant difference among different seasons, though relatively higher in autumn and winter.

Non-adiabatic dynamics studies of the C+(2P1/2, 3/2) + H2 reaction: Based on global diabatic potential energy surfaces of CH2.

Global diabatic potential energy surfaces (PESs) of CH2+ are constructed using the neural network method with a specific function based on 18 213 ab initio points. The multi-reference configuration interaction method with the aug-cc-pVQZ basis set is adopted to perform the ab initio calculations. The topographical properties of the diabatic PESs are examined in detail. In general, the diabatic PESs provide an accurate quasi-diabatic representation. To validate the diabatic PESs, the dynamics studies of the C+(2P1/2, 3/2) + H2 (v0 = 0, j0 = 0) → H + CH+(X1Σ+) reaction are performed using the time-dependent wave packet method. The reaction probabilities, integral cross sections, differential cross sections, and rate constants are calculated and compared with the experimental and theoretical results. Non-adiabatic dynamics results are in good agreement with experimental data. In addition, the non-adiabatic effect in the C+(2P1/2, 3/2) + H2 reaction is significant due to the non-adiabatic results being obviously larger than adiabatic values. The reasonable non-adiabatic dynamics results indicate that present diabatic PESs can be recommended for any type of dynamics study.

Differences in Vitamin A Levels and Their Association with the Atherogenic Index of Plasma and Subclinical Hypothyroidism in Adults: A Cross-Sectional Analysis in China.

BACKGROUND: This study evaluates the association between vitamin A levels, AIP (the atherogenic index of plasma), and subclinical hypothyroidism. METHODS: A cross-sectional analysis was conducted involving a representative sample of 3530 Chinese adults. Linear and logistic regression models were utilized to evaluate the associations between AIP and subclinical hypothyroidism, stratified by vitamin A levels. These analyses were further differentiated by sex and age groups to identify any demographic-specific associations. RESULTS: In the vitamin A-sufficient group, an increase in AIP was associated with elevated total triiodothyronine (TT3) levels (ß = 0.26, 95%CI: 0.09, 0.41, p = 0.003). Conversely, in the group with severe vitamin A deficiency, higher AIP levels were linked to increased free triiodothyronine (fT3) and TT3 levels and decreased free thyroxine (fT4) levels (ß = 0.12, 0.03, and -0.29, respectively). Additionally, severe vitamin A deficiency increased the risk associated with AIP and subclinical hypothyroidism (OR = 1.66, 95%CI: 1.07, 2.58, p = 0.025). This risk was notably more pronounced in women and older adults, with odds ratios of 2.44 (95%CI: 1.55, 3.86, p < 0.001) and 2.14 (95%CI: 1.36, 3.38, p = 0.001), respectively. CONCLUSIONS: Vitamin A deficiency may increase the risk of the association between AIP and subclinical hypothyroidism, particularly among women and the elderly.