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1.
iScience ; 27(7): 110314, 2024 Jul 19.
Article in English | MEDLINE | ID: mdl-39036040

ABSTRACT

[This corrects the article DOI: 10.1016/j.isci.2024.109732.].

2.
Bioresour Technol ; 406: 130968, 2024 Jun 13.
Article in English | MEDLINE | ID: mdl-38876277

ABSTRACT

This study evaluated the reflection of long-term anaerobic system exposed to sulfate and propionate. Fe@C was found to efficiently mitigate anaerobic sulfate inhibition and enhance propionate degradation. With influent propionate of 12000mgCOD/L and COD/SO42- ratio of 3.0, methane productivity and sulfate removal were only 0.06 ± 0.02L/gCOD and 63 %, respectively. Fe@C helped recover methane productivity to 0.23 ± 0.03L/gCOD, and remove sulfate completely. After alleviating sulfate stress, less organic substrate was utilized to form extracellular polymeric substances for self-protection, which enhanced mass transfer in anaerobic sludge. Microbial community succession, especially for alteration of key sulfate-reducing bacteria and propionate-oxidizing bacteria, was driven by Fe@C, thus enhancing sulfate reduction and propionate degradation. Acetotrophic Methanothrix and hydrogenotrophic unclassified_f_Methanoregulaceae were enriched to promote methanogenesis. Regarding propionate metabolism, inhibited methylmalonyl-CoA degradation was a limiting step under sulfate stress, and was mitigated by Fe@C. Overall, this study provides perspective on Fe@C's future application on sulfate and propionate rich wastewater treatment.

3.
Chemosphere ; 362: 142707, 2024 Jun 26.
Article in English | MEDLINE | ID: mdl-38942245

ABSTRACT

To address the issue of excessive residues of 4-chloro-3,5-dimethylphenol (PCMX) in the water environment. In a one-step solvothermal process, iron-based metal-organic frameworks (Fe-MOFs) material MIL-53(Fe) undergoes a synthetic modification strategy. 2-Nitroterephthalic acid as an organic ligand reacted with Fe3+ in a solvothermal process lasting 18 h to yield the nitro-functionalized MIL-53(Fe)-NO2(18h). The objective was to augment the abundance of Fe central unsaturated coordination sites (Fe CUCs) and expedite the Fe(III)/Fe(II) redox cycle, thereby enhancing the heterogeneous Fenton-like treatment capability of pollutants. MIL-53(Fe)-NO2(18h) has excellent hydrogen peroxide (H2O2) catalytic activity and PCMX degradation across a broad pH spectrum (4.0∼8.0). Almost complete removal of PCMX was achieved within 30 min, while pseudo-first-order kinetic rate constants (kobs) increased 4.37 times over MIL-53(Fe). The confirmation of increased Fe CUCs abundance in MIL-53(Fe)-NO2(18h) was achieved through Lewis acidity, oxygen vacancies (OVs) signals, and Fe-O coordination characterization results. Density functional theory (DFT) calculations revealed that Fe CUCs in MIL-53(Fe)-NO2(18h) exhibits heightened affinity for H2O2 adsorption, showcasing stronger charge transfer and enhanced H2O2 dissociation ability. The Fe(III)/Fe(II) redox cycle, a driving force of Fenton-like reactions, was notably improved in the nitro-modified materials. These enhancements significantly expedited the Fenton-like process, resulting in the generation of increased amounts of reactive oxygen species (ROSs), with hydroxyl radicals (OH·) being pivotal components in degradation. The MIL-53(Fe)-NO2(18h)/H2O2 system has demonstrated versatility in treating a variety of emerging contaminants, achieving removal efficiencies exceeding 99.7% for other antibiotics and endocrine disruptors within 60 min. Furthermore, MIL-53(Fe)-NO2(18h) demonstrated outstanding reusability and adaptability in actual water environments. This study introduces a straightforward and environmentally friendly strategy for remediating environmental pollution using Fe-MOF-catalysed heterogeneous Fenton-like technology.

4.
Front Public Health ; 12: 1358604, 2024.
Article in English | MEDLINE | ID: mdl-38827619

ABSTRACT

Objective: In recent years, there has been a significant increase in research using ecological momentary assessment (EMA) to explore suicidal thoughts and behaviors (STBs). Meanwhile, concerns have been raised regarding the potential impacts of frequent and intense STBs assessments on the study participants. Methods: From November 2021 to June 2023, a total of 83 adolescent and young adult outpatients (Mage = 21.0, SDage = 6.3, 71.1% female), who were diagnosed with mood disorders, were recruited from three psychiatric clinics in China. Smartphone-based EMA was used to measure suicidal thoughts three times per day at randomly selected times. We examined the change of suicidal thoughts in each measurement and within 1 day to evaluate potential adverse effects using Bayesian multilevel models. Results: The 3,105 effective surveys were nested in 83 participants (median follow-up days: 14 days). The results of two-level models indicated that suicidal thoughts decreased during the monitoring period. However, this effect varied among different individuals in the two-level model. Conclusion: Our findings did not support the notion that repeated assessment of suicidal thoughts is iatrogenic, but future research should continue to investigate the impact of frequent assessment on suicidal thoughts, taking into account individual differences and utilizing larger sample sizes.


Subject(s)
Ecological Momentary Assessment , Suicidal Ideation , Humans , Female , Male , Adolescent , Young Adult , China , Adult , Bayes Theorem , Surveys and Questionnaires , Smartphone , Mood Disorders
5.
iScience ; 27(5): 109732, 2024 May 17.
Article in English | MEDLINE | ID: mdl-38706862

ABSTRACT

In Drosophila, long noncoding RNA Hsrω rapidly assembles membraneless organelle omega speckles under heat shock with unknown biological function. Here, we identified the distribution of omega speckles in multiple tissues of adult Drosophila melanogaster and found that they were selectively distributed in differentiated enterocytes but not in the intestinal stem cells of the midgut. We mimicked the high expression level of Hsrω via overexpression or intense heat shock and demonstrated that the assembly of omega speckles nucleates TBPH for the induction of ISC differentiation. Additionally, we found that heat shock stress promoted cell differentiation, which is conserved in mammalian cells through paraspeckles, resulting in large puncta of TDP-43 (a homolog of TBPH) with less mobility and the differentiation of human induced pluripotent stem cells. Overall, our findings confirm the role of Hsrω and omega speckles in the development of intestinal cells and provide new prospects for the establishment of stem cell differentiation strategies.

6.
Carbohydr Polym ; 337: 122169, 2024 Aug 01.
Article in English | MEDLINE | ID: mdl-38710560

ABSTRACT

Sodium alginate (SA) is a marine polysaccharide biomass material that is environmentally friendly and exhibits color-changing properties under certain conditions. In this study, we have discovered sodium alginate solution to be chromogenic under four conditions, namely alkali-chromogenic, thermo-chromogenic, force-chromogenic and photo-chromogenic. Under simple strong alkaline conditions, sodium alginate forms clusters of blue light-absorbing chromogenic aggregates, which exhibit a bright yellow color at a certain size. Under different temperature conditions, SA shows varying shades of yellow, and the color tends to stabilize after 48 h of resting. The aggregates can be dispersed by stirring, which changes SA from yellow to colorless. The yellow color can then be recovered after resting. Additionally, exposure to sunlight can cause the yellow SA to fade, but the color can be restored by reheating. Therefore, the force-chromogenic and photo-chromogenic properties are reversible. This makes it a promising material for use in color-developing and indicating materials. It is expected to become a sodium alginate cluster pigment with broad application prospects in the future.

7.
Eur J Med Res ; 29(1): 266, 2024 May 03.
Article in English | MEDLINE | ID: mdl-38698469

ABSTRACT

BACKGROUND: Fatigue is a relatively prevalent condition among hemodialysis patients, resulting in diminished health-related quality of life and decreased survival rates. The purpose of this study was to investigate the relationship between fatigue and body composition in hemodialysis patients. METHODS: This cross-sectional study included 92 patients in total. Fatigue was measured by Functional Assessment of Chronic Illness Therapy - Fatigue (FACIT-F) (cut-off ≤ 34). Body composition was measured based on quantitative computed tomography (QCT), parameters including skeletal muscle index (SMI), intermuscular adipose tissue (IMAT), and bone mineral density (BMD). Handgrip strength was also collected. To explore the relationship between fatigue and body composition parameters, we conducted correlation analyses and binary logistic regression. RESULTS: The prevalence of fatigue was 37% (n = 34), abnormal bone density was 43.4% (n = 40). There was a positive correlation between handgrip strength and FACIT-F score (r = 0.448, p < 0.001). Age (r = - 0.411, p < 0.001), IMAT % (r = - 0.424, p < 0.001), negatively associated with FACIT-F score. Multivariate logistic regression analysis shows that older age, lower serum phosphorus, higher IMAT% are associated with a high risk of fatigue. CONCLUSION: The significantly increased incidence and degree of fatigue in hemodialysis patients is associated with more intermuscular adipose tissue in paraspinal muscle.


Subject(s)
Body Composition , Fatigue , Muscle Strength , Renal Dialysis , Humans , Renal Dialysis/adverse effects , Male , Female , Middle Aged , Fatigue/physiopathology , Fatigue/etiology , Cross-Sectional Studies , Muscle Strength/physiology , Aged , Hand Strength/physiology , Bone Density , Adult , Muscle, Skeletal/physiopathology , Kidney Failure, Chronic/therapy , Kidney Failure, Chronic/physiopathology
8.
Opt Express ; 32(6): 9161-9170, 2024 Mar 11.
Article in English | MEDLINE | ID: mdl-38571155

ABSTRACT

Reflective cholesteric liquid crystal (CLC) Pancharatnam-Berry phase lens (PBL) devices have attracted significant attention in augmented reality (AR) display due to their wide spectral and angular response bandwidths, high diffraction efficiency, and polarization selectivity. However, currently reported CLC reflective PBLs are either limited by monochrome display or suffers from complicated design for colorful display. Herein, we demonstrate a colorful multi-plane AR display system with dynamically tunable reflective PBL. The reflective PBL is fabricated by polymer-stabilized cholesteric liquid crystal (PSCLC) that provides dynamical and continuous tunability of color and focal length by direct current (DC) voltage. A proof-of-concept colorful multi-plane AR device is demonstrated, where over 90% diffraction efficiency at desired wavelength has been obtained. The proposed simple, compact, and light AR display system capable of color-imaging with multi-depth shows great application potential in the vehicle-mounted head-up display (HUD).

9.
J Colloid Interface Sci ; 667: 32-43, 2024 Aug.
Article in English | MEDLINE | ID: mdl-38615621

ABSTRACT

It has been a challenge to prepared polyether block amide (PEBA) fibrous membrane via solution electrospinning. The only few reported methods though involved hazardous solvents and surfactants which were against the principle of green chemistry. In this work, uniform fibrous membrane of PEBA was successfully fabricated by solution electrospinning with a bio-based solvent dihydrolevoglucosenone (Cyrene). To further improve the mechanical strength and adsorption performance of the PEBA membrane, a hierarchical magnesium hydrogen phosphate (MgHPO4·1.2H2O, MHP) was synthesized to blend evenly into the PEBA matrix. A Janus MHP/PEBA membrane with one side of hydrophobic surface and the other side of hydrophilic surface was subsequently prepared, which exhibited fast adsorption, high capacity, good selectivity and reusability towards ibuprofen, acetaminophen, carbamazepine and triclosan. In addition, the Janus membrane showed high removal efficiency of the above contaminants in secondary wastewater effluent with good long term stability. It demonstrated that this Janus MHP/PEBA membrane had a good potential in practical wastewater treatment.


Subject(s)
Membranes, Artificial , Green Chemistry Technology , Adsorption , Water Pollutants, Chemical/isolation & purification , Water Pollutants, Chemical/chemistry , Phosphates/chemistry , Phosphates/isolation & purification , Polymers/chemistry , Surface Properties , Pharmaceutical Preparations/chemistry , Pharmaceutical Preparations/isolation & purification , Amides/chemistry , Amides/isolation & purification , Particle Size , Water Purification/methods , Cosmetics/chemistry , Cosmetics/isolation & purification
10.
Plant Physiol Biochem ; 208: 108473, 2024 Mar.
Article in English | MEDLINE | ID: mdl-38430784

ABSTRACT

Alternative splicing (AS) was an important post-transcriptional mechanism that involved in plant resistance to adversity stress. WRKY transcription factors function as transcriptional activators or repressors to modulate plant growth, development and stress response. However, the role of alternate splicing of WRKY in cold tolerance is poorly understood in tea plants. In this study, we found that the CsWRKY21 transcription factor, a member of the WRKY IId subfamily, was induced by low temperature. Subcellular localization and transcriptional activity assays showed that CsWRKY21 localized to the nucleus and had no transcriptional activation activity. Y1H and dual-luciferase reporter assays showed that CsWRKY21 suppressed expression of CsABA8H and CsUGT by binding with their promoters. Transient overexpression of CsABA8H and CsUGT reduced abscisic acid (ABA) content in tobacco leaves. Furthermore, we discovered that CsWRKY21 undergoes AS in the 5'UTR region. The AS transcript CsWRKY21-b was induced at low temperature, up to 6 folds compared to the control, while the full-length CsWRKY21-a transcript did not significantly change. Western blot analysis showed that the retention of introns in the 5'UTR region of CsWRKY21-b led to higher CsWRKY21 protein content. These results revealed that alternative splicing of CsWRKY21 involved in cold tolerance of tea plant by regulating the protein expression level and then regulating the content of ABA, and provide insights into molecular mechanisms of low temperature defense mediated by AS in tea plant.


Subject(s)
Alternative Splicing , Plant Proteins , Alternative Splicing/genetics , Plant Proteins/genetics , Plant Proteins/metabolism , 5' Untranslated Regions , Transcription Factors/genetics , Transcription Factors/metabolism , Cold Temperature , Abscisic Acid/pharmacology , Abscisic Acid/metabolism , Tea , Gene Expression Regulation, Plant , Plants, Genetically Modified/metabolism , Stress, Physiological
11.
Water Res ; 254: 121421, 2024 May 01.
Article in English | MEDLINE | ID: mdl-38461601

ABSTRACT

Perfluorooctane sulfonate (PFOS) is a persistent organic pollutant posing a risk in environmental persistence, bioaccumulation and biotoxicity. This study was to reach a comprehensive and deeper understanding of PFOS elimination in a UV254 photolytic treatment with the co-presence of Fe2+ and nitrilotriacetic acid trisodium salt (NTA). PFOS defluorination was noticeably enhanced in the UV/Fe2+-NTA treatment compared with UV/NTA, UV/Fe2+ and our previously studied UV/Fe3+ treatments. UV-vis, FTIR, and UPLC/MS-MS results indicated the formation of PFOS-Fe2+-NTA complex in PFOS, Fe2+ and NTA mixture. The transition energy gap of PFOS-Fe2+-NTA decreased below the excitation energy supplied by UV254 irradiation, corresponding with red shift appearing in UV-vis scanning spectrum. This favored intramolecular electron transfer from Fe2+-NTA to PFOS under UV254 irradiation to form electron-accepting PFOS. Molecular electrostatic potential and atom charge distribution analyses suggested electron density rearrangement and perturbation in the perfluorinated carbon chain of electron-accepting PFOS, leading to the decrease in bond dissociation energies. Intermediate products detection suggested the parallel defluorination pathways of PFOS desulfonation, middle carbon chain scission and direct C-F cleavage. NTA exhibited crucial functions in the UV/Fe2+-NTA treatment by holding Fe2+/Fe3+ in soluble form as a chelant and favoring water activation to generate hydrated electrons (eaq-) under UV irradiation as a photosensitizer. Fe2+ acting as the conduit for electron transfer and the bridge of PFOS anion and NTA was thought functioning best at 200 µM in this study. The degree of UV/Fe2+-NTA -synergized PFOS defluorination also depended on eaq- yield and UV254 photon flux. The structure dependence on the electron transfer process of PFOS and PFOA was explored incorporating molecular structure descriptors. Because of possessing greater potential to acquire electrons or less likeliness to donate its electrons than PFOA, PFOS exhibited faster defluorination kinetics in the published "reduction treatments" than "oxidation" ones. Whereas, PFOA defluorination kinetics were at similar level in both "reduction" and "oxidation" treatments.


Subject(s)
Alkanesulfonic Acids , Fluorocarbons , Electrons , Nitrilotriacetic Acid , Photolysis , Fluorocarbons/chemistry , Sodium Chloride , Alkanesulfonic Acids/chemistry , Carbon , Caprylates
12.
J Ethnopharmacol ; 325: 117848, 2024 May 10.
Article in English | MEDLINE | ID: mdl-38336181

ABSTRACT

ETHNOPHARMACOLOGICAL RELEVANCE: Medical Uncariae Ramulus Cum Uncis consists of Uncaria rhynchophylla (Miq.) Miq. ex Havil, Uncaria macrophylla Wall, Uncaria sinensis (Oliv.) Havil, Uncaria hirsuta Havil, and Uncaria sessilifructus Roxb, which belongs to the species widely used in the genus Uncaria. These species resource widely distributed in China and abroad, and the hook-bearing stem is the primary constituent enrichment site. There are many different forms and architectures of chemicals, depending on the extraction site. Traditional remedies employing URCU had been used widely in antiquity and were first compiled in renowned ancient masterpiece 'Mingyi Bielu ()' written by Hongjing Tao. In modern pharmacological studies, both the total extracts and the phytoconstituents isolated from URCU have been shown to have neuroprotective, antioxidant, anti-inflammatory, anticancer, antibacterial, and autophagy-enhancer properties. AIM OF THE STUDY: This review concentrates on the traditional uses, phytochemistry, pharmacology, toxicology, and nanomaterials studies of URCU, with a perspective to assist with further research and advance. MATERIAL AND METHODS: The Chinese and English literature studies of this review are based on these database searches including Science Direct, CNKI, Wiley online library, Spring Link, Web of Science, PubMed, Medalink, Google scholar, Elsevier, ACS Publications, iPlant, Missouri Botanical Garden, Plant of the World Online. The pertinent data on URCU was gathered. RESULTS: Based on the examination of the genus Uncaria, 107 newly marked chemical compositions have been identified from URCU from 2015 to present, including alkaloids, terpenoids, flavonoids, steroids, and others. Pharmacological studies have demonstrated that URCU has a variety of benefits in diseases such as neurodegenerative diseases, cancer, cardiovascular diseases, diabetes, and migraine, due to its neuroprotective, anti-inflammatory, antioxidant, anti-tumor, anti-bacterial and anti-viral properties. According to metabolic and toxicological studies, the dosage, frequency, and interactions of the drugs that occur in vivo are of great significance for determining whether the organic bodies can perform efficacy or produce toxicity. The research on URCU-mediated nanomaterials is expanding and increasing in order to address the inadequacies of conventional Chinese medicine. The alkaloids in URCU have the capability to self-assemble with other classes of components in addition to being biologically active. CONCLUSION: URCU plants are widely distributed, abundant in chemical constituents, and widely used in both traditional and modern medicine for a variety of pharmacological effects. The utilization of herbal medicines can be raised by assessing the pharmacological distinctions among several species within the same genus and may accelerate the modernization of traditional Chinese medicine. Controlling the concentration of drug administration, monitoring metabolic markers, and inventing novel nanotechnologies are effective strategies for synergistic influence and detoxification to alleviate the main obstacles that toxicity, low bioavailability, and poor permeability. This review can assist further research and advances.


Subject(s)
Alkaloids , Cat's Claw , Drugs, Chinese Herbal , Drugs, Chinese Herbal/pharmacology , Antioxidants , Plant Extracts/therapeutic use , Plant Extracts/toxicity , Medicine, Chinese Traditional , Anti-Inflammatory Agents , Phytochemicals/pharmacology , Ethnopharmacology
13.
Microbiol Spectr ; : e0322623, 2024 Jan 19.
Article in English | MEDLINE | ID: mdl-38240573

ABSTRACT

The emergence of high-virulent Acinetobacter baumannii strains increases the mortality of patients and seriously affects their prognosis, which motivates us to explore novel ways to control such infections. In this study, gas chromatography-mass spectrometry was adopted to explore the metabolic difference between high- and low-virulent A. baumannii strains, and the decreased L-serine levels were identified as the most crucial biomarker in low-virulent A. baumannii strains. In vitro, L-serine reduced the virulence of A. baumannii to Beas 2B cells and inhibited the activation of NLRP3 inflammasome via decreasing the generation of ROS and mtROS and the release of inflammatory cytokines (IL-18 and IL-1ß) through upregulating SIRT1. In vivo, the Galleria mellonella model was adopted. L-serine downregulated the levels of virulence genes (ompA, carO, and omp33-36), reduced the mortality of A. baumannii to G. mellonella, and decreased the blacking speed as well as the degree of G. mellonella after infection. Taken together, we found that L-serine can reduce the virulence of A. baumannii and enhance the host's defense against the pathogen, providing a novel strategy for the treatment of infections caused by A. baumannii.IMPORTANCEAcinetobacter baumannii has become one of the most common and severe opportunistic pathogens in hospitals. The high-virulent A. baumannii strains pose a great threat to patients and increase the risk of nosocomial infection. However, the mechanism of virulence in A. baumannii is still not well understood. In the present study, we identified potential biomarkers in low-virulent A. baumannii strains. Our analysis revealed the effect of L-serine on reducing the virulence of A.baumannii. This discovery suggests that targeting L-serine could be a promising strategy for the treatment or adjunctive treatment of A. baumannii infections. The development of treatments targeting virulence may provide a substitute for the increasingly failed traditional antibacterial treatment.

14.
Sci Total Environ ; 915: 169837, 2024 Mar 10.
Article in English | MEDLINE | ID: mdl-38185146

ABSTRACT

This study evaluated the resilience of a long-term anaerobic treatment system exposed to sulfate, lincomycin (LCM) and their combined stress. LCM was found to impede anaerobic propionate degradation, while sulfate for restraining methanogenic acetate utilization. The combined stress, with influent LCM of 200 mg/L and sulfate of 1404 mg/L, revealed severer inhibition on anaerobic digestion than individual inhibition, leading to 73.9 % and 38.5 % decrease in methane production and sulfate removal, respectively. Suppression on propionate-oxidizing bacteria like unclassified_f__Anaerolineae and unclassified_f__Syntrophaceae further demonstrated LCM's inhibitory effect on propionate degradation. Besides, the down-regulation of genes encoding dissimilatory sulfate reduction enzymes caused by LCM triggered great inhibition on sulfate reduction. A notable increase in ARGs was detected under sulfate-stressed condition, owing to its obvious enrichment of tetracycline-resistant genes. Genera including unclassified_f__Syntrophaceae, unclassified_f__Geobacteraceae and unclassified_f__Anaerolineaceae were identified as dominant host of ARGs and enriched by sulfate addition. Overall, these results could provide the theoretical basis for further enhancement on anaerobic digestion of pharmaceutical wastewater containing sulfate and lincomycin.


Subject(s)
Anti-Bacterial Agents , Lincomycin , Anaerobiosis , Sulfates , Propionates/metabolism , Drug Resistance, Microbial , Bioreactors/microbiology
15.
Environ Pollut ; 341: 123012, 2024 Jan 15.
Article in English | MEDLINE | ID: mdl-38008254

ABSTRACT

Microplastics (MPs) refer to plastic particles with a size less than 5 mm, which attracted widespread attention as an emerging pollutant. The monitoring of atmospheric microplastics (AMPs) in a megacity was carried out to study the characteristics and spatiotemporal distribution of AMPs, explore the sources and estimate the deposition flux. The results showed that the annual average abundance of AMPs in Wuhan was 82.85 ± 57.66 n·m-2·day-1. The spatiotemporal distribution characteristics of AMPs show that spring was the highest season, followed by autumn, winter, and summer; the city center was higher than the suburbs. Fiber was the main type of AMPs in Wuhan, followed by fragment, film and pellet. The proportion of AMPs were mainly small (<0.5 mm) and medium (0.5-1.0 mm). Transparent and white were the main colors of AMPs, followed by red, brown. A total of 10 types polymers were detected, polyethylene terephthalate (PET) was dominant. There are positive correlations between AMPs and SO2, NO2 in the atmosphere, indicating that they might be influenced by intense human activity. The polycyclic aromatic hydrocarbons (PAHs) and AMPs in spring showed an extremely significant positive correlation (p < 0.05). AMPs might mainly originate from the wear and tear shedding of textiles, the aging of agricultural films and plastic waste based on their polymer types and main uses. The potential geographical sources of AMPs were mainly the surrounding cities. The annual deposition flux of AMPs was about 308 tons if there were no remove processes, which highlighted the importance of atmospheric transport and deposition of MPs. The analysis of the abundance, morphological characteristics and sources of AMPs can provide data support and reference for mega-cities with high global population activities, or cities in global mid-latitude regions.


Subject(s)
Air Pollutants , Water Pollutants, Chemical , Humans , Microplastics/analysis , Plastics , Cities , Environmental Monitoring/methods , Air Pollutants/analysis , Water Pollutants, Chemical/analysis
16.
J Chem Phys ; 159(5)2023 Aug 07.
Article in English | MEDLINE | ID: mdl-37526163

ABSTRACT

DeePMD-kit is a powerful open-source software package that facilitates molecular dynamics simulations using machine learning potentials known as Deep Potential (DP) models. This package, which was released in 2017, has been widely used in the fields of physics, chemistry, biology, and material science for studying atomistic systems. The current version of DeePMD-kit offers numerous advanced features, such as DeepPot-SE, attention-based and hybrid descriptors, the ability to fit tensile properties, type embedding, model deviation, DP-range correction, DP long range, graphics processing unit support for customized operators, model compression, non-von Neumann molecular dynamics, and improved usability, including documentation, compiled binary packages, graphical user interfaces, and application programming interfaces. This article presents an overview of the current major version of the DeePMD-kit package, highlighting its features and technical details. Additionally, this article presents a comprehensive procedure for conducting molecular dynamics as a representative application, benchmarks the accuracy and efficiency of different models, and discusses ongoing developments.

17.
Front Psychol ; 14: 1126284, 2023.
Article in English | MEDLINE | ID: mdl-37457078

ABSTRACT

Purpose: Breast cancer is one of the most common malignant cancers in women, seriously endangering the physical and mental health of patients. In this study, we developed an app for breast cancer patients undergoing radiotherapy or chemotherapy with a focus on exercise interventions, supplemented by nutritional and psychological interventions, to verify the applicability of the app for these patients and its impact on their quality of life, sleep, and psychological state. We also investigated the patients' experience and perceptions of the app. Methods: A total of 17 participants, aged 42-58 years, were recruited for this study using a mixed-methods design, including quantitative group pre-and post-test scores and qualitative interview results. The participants used the app for 8-18 weeks depending on their radiotherapy or chemotherapy cycle. During the radiotherapy or chemotherapy period, the participants used the "Yun Dong Ru Kang" exercise rehabilitation app to perform aerobic exercises twice a week, as well as rehabilitation exercises appropriate to their radiotherapy or chemotherapy stage, and used the app on their own the rest of the time. The primary results included their scores on the PSSUQ overall assessment usability questionnaire, the users' use of the app, and the results of the interviews; the secondary indicators were quality of life, sleep status, and anxiety and depression status. Results: An overall score of 6.2 (out of 7 points) on the PSSUQ questionnaire indicates the high usability; the average use time per subject per week was 97.69 ± 11.82 min, which exceeds the minimum use time, but the average use time tended to decrease as the use time was postponed. Promoted articles on nutritional diets received the most hits. The results of the interviews were consistent with the questionnaire scores, with the majority of participants believing that the means of exercise should be enriched and the interface optimized, while the reduction in the length of use was related to the participants' own state of learning about calisthenics. In the results of the Breast Cancer-Specific Scale FACT-B, there was a significant increase (p < 0.05) in the Emotional Status dimension score and a significant decrease (p < 0.05) on the Additional Concerns dimension score. In the results of the Pittsburgh Sleep Quality Inventory PSQI, there was a non-significant improvement in all items except for a significant increase (p < 0.05) for the Hypnotic Medication item. In the Hospital Anxiety and Depression Scale (HADS), there was no significant improvement in any of the anxiety and depression factors. Conclusions: The "Yun Dong Ru Kang "app has certain applicability, and the use of the exercise rehabilitation app may effectively reduce the negative impact of chemotherapy side effects on the quality of life, sleep and depression of breast cancer patients in the chemotherapy or radiotherapy phase. Before it is put into use in the future, the app should be enriched with exercise tools, the interface should be optimized, and articles on nutrition and diet should be promoted.

19.
Environ Sci Pollut Res Int ; 30(34): 82560-82574, 2023 Jul.
Article in English | MEDLINE | ID: mdl-37326736

ABSTRACT

TiO2 is a promising photocatalyst used in practical environmental remediation. TiO2 photocatalysts are usually implemented in two forms: suspended powder and immobilized thin films. A simple technique for fabricating TiO2 thin film photocatalyst was developed in this work. The fabricated TiO2 thin film photocatalyst featured a homogeneous nanowire layer grown in situ on the parent Ti plate. The optimized fabrication protocol was to soak the ultrasonically cleaned and acid-washed Ti plate in 30% H2O2 solution containing 3.2 mM melamine and 0.29 M HNO3 at 80 °C for 72 h and then anneal at 450 °C for 1 h. TiO2 nanowires with uniform diameters were homogeneously arrayed on the Ti plate surface. The thickness of the TiO2 nanowire array layer was 1.5 µm. The pore properties of the TiO2 thin film were close to those of P25. The band gap of the fabricated photocatalyst was 3.14 eV. The photocatalytic activity of the fabricated photocatalyst toward 10 mg/L RhB and 1 mg/L CBZ demonstrated greater than 60% degradation under 2 h UVC irradiation. The RhB and CBZ degradation efficiencies remained at a good level after 5 consecutive cycles. Mechanical wearing, such as 2 min sonication, will not lead to significant suppression of the photocatalytic activity. Photocatalytic RhB and CBZ degradation using the fabricated photocatalyst favored an acidic > alkaline > neutral environment. The presence of Cl- slightly suppressed the photocatalytic degradation kinetics. However, RhB and CBZ photocatalytic degradation kinetics were promoted in the copresence of SO42- or NO3-.


Subject(s)
Nanowires , Hydrogen Peroxide , Titanium , Ultraviolet Rays
20.
Int J Pharm ; 642: 123180, 2023 Jul 25.
Article in English | MEDLINE | ID: mdl-37364784

ABSTRACT

As the main systemic treatment for triple-negative breast cancer (TNBC), the bleak medical prognosis of chemotherapy resulted in impaired life quality by tumor recurrence and metastasis. The feasible cancer starvation therapy could inhibit tumor progression by blocking energy supplements, however, the mono-therapeutic modality showed limited curing efficacy due to heterogeneity and abnormal energy metabolism of TNBC. Thus, the development of a synergistic nano-therapeutic modality involving different anti-tumor mechanisms to simultaneously transport medicines to the organelle where metabolism took place, might remarkably improve curing efficacy, targeting ability, and bio-safety. Herein, the hybrid BLG@TPGS NPs were prepared by doping multi-path energy inhibitors Berberine (BBR) and Lonidamine (LND) as well as the chemotherapeutic agent Gambogic acid (GA). Our research indicated that Nanobomb-BLG@TPGS NPs inherited the mitochondria targeting ability from BBR to accumulate precisely at the "energy factory" mitochondria, and then induce starvation therapy to efficiently eradicated cancer cells by coordinately powered off tumor cells via a "three-prone strategy" to cut off mitochondrial respiration, glycolysis, and glutamine metabolism. The inhibition of tumor proliferation and migration was enlarged by the synergistic combination with chemotherapy. Besides, apoptosis via mitochondria pathway and mitochondria fragmentation supported the hypothesis that NPs eliminated MDA-MB-231 cells by violently attacking MDA-MB-231 cells and especially the mitochondria. In summary, this synergistic chemo-co-starvation nanomedicine proposed an innovative site-specific targeting strategy for improved tumor treatment and decreased toxicity to normal tissues, which provided an option for clinical TNBC-sensitive treatment.


Subject(s)
Nanoparticles , Triple Negative Breast Neoplasms , Humans , Cell Line, Tumor , Triple Negative Breast Neoplasms/drug therapy , Triple Negative Breast Neoplasms/pathology , Energy Metabolism , Mitochondria/metabolism
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