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1.
J Colloid Interface Sci ; 677(Pt A): 425-434, 2025 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-39096710

RESUMEN

In this study, a simple one-pot synthesis process is employed to introduce Pd dopant and abundant S vacancies into In2S3 nanosheets. The optimized Pd-doped In2S3 photocatalyst, with abundant S vacancies, demonstrates a significant enhancement in photocatalytic hydrogen evolution. The joint modification of Pd doping and rich S vacancies on the band structure of In2S3 result in an improvement in both the light absorption capacity and proton reduction ability. It is worth noting that photogenerated electrons enriched by S vacancies can rapidly migrate to adjacent Pd atoms through an efficient transfer path constructed by Pd-S bond, effectively suppressing the charge recombination. Consequently, the dual-defective In2S3 shows an efficient photocatalytic H2 production rate of 58.4 ± 2.0 µmol·h-1. Additionally, further work has been conducted on other ternary metal sulfide, ZnIn2S4. Our findings provide a new insight into the development of highly efficient photocatalysts through synergistic defect engineering.

2.
J Colloid Interface Sci ; 677(Pt A): 610-619, 2025 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-39116559

RESUMEN

Photocatalytic nitrogen reduction is a promising green technology for ammonia synthesis under mild conditions. However, the poor charge transfer efficiency and weak N2 adsorption/activation capability severely hamper the ammonia production efficiency. In this work, heteropoly blue (r-PW12) nanoparticles are loaded on the surface of ultrathin bismuth oxychloride nanosheets with oxygen vacancies (BiOCl-OVs) by electrostatic self-assembly method, and a series of xr-PW12/BiOCl-OVs heterojunction composites have been prepared. Acting as a robust support, ultrathin two-dimensional (2D) structure of BiOCl-OVs inhibits the aggregation of r-PW12 nanoparticles, enhancing the interfacial contact between r-PW12 and BiOCl. More importantly, the existence of oxygen vacancies (OVs) provides abundant active sites for efficient N2 adsorption and activation. In combination of the enhanced light absorption and promoted photogenerated carriers separation of xr-PW12/BiOCl-OVs heterojunction, under simulated solar light, the optimal 7r-PW12/BiOCl-OVs exhibits an excellent photocatalytic N2 fixation rate of 33.53 µmol g-1h-1 in pure water, without the need of sacrificial agents and co-catalysts. The reaction dynamics is also monitored by in situ FT-IR spectroscopy, and an associative distal pathway is identified. Our study demonstrates that construction of heteropoly blues-based heterojunction is a promising strategy for developing high-performance N2 reduction photocatalysts. It is anticipated that combining of different defects with heteropoly blues of different structures might provide more possibilities for designing highly efficient photocatalysis systems.

3.
ChemSusChem ; : e202401725, 2024 Oct 09.
Artículo en Inglés | MEDLINE | ID: mdl-39384532

RESUMEN

Due to poor planarity and weak intermolecular interactions of acceptor units which have two-dimensional configuration, the development of related polymers is slow. In this work, we synthesized a dithieno[3,2-f:2',3'-h]quinoxaline-based unit substituted with fluorinated thiophene, which can effectively expand the area of the acceptor unit. Then, it paired with three different benzodithiophene-based donor units, and three new polymers of PQTF-BT, PQTF-BTCl and PQTF-DTCl were obtained. PQTF-BT with thiophene side chain exhibits appropriate aggregation and crystallization performance, and the PQTF-BT:PY-IT all-polymer solar cells exhibit high device efficiency of 15.54%. Meanwhile, PQTF-BTCl with chlorination strategy on thiophene side chain further enhances the open-circuit voltage of related devices. However, it has negative impact on the miscibility and charge transfer of the material, leading to a poor efficiency of 8.71% in the PQTF-BTCl:PY-IT device. To reinforce miscibility, PQTF-DTCl with expanded backbone planarity was further studied. However, the big dihedral angles of the donor side chains disrupted the effective stacking of the molecules, resulting in great recovery of device performance to 13.42%. This work provides research ideas for the design of polymers with two-dimensional configuration side chain and match selection of donor units.

4.
Front Bioeng Biotechnol ; 12: 1479751, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-39450328

RESUMEN

Traditionally, extracting single, flat- or curved-rooted teeth through twisting is unfeasible. However, our clinical practice suggests that such teeth can be extracted efficiently through moderate twisting in a minimally invasive manner. Given the lack of studies on biomechanics of the tooth-periodontal ligament (PDL) complex during torsion, which has further constrained its application, we assessed the feasibility of the torsion method for extracting single-rooted teeth and evaluated its minimally invasive potential. Using three-dimensional finite element analysis, we examined the stress distribution of the tooth and PDL during torsion. Then, we examined changes in the optimal torsion angle (OTA) and stress distribution across various anatomical scenarios. During torsion loading, stress concentration was primarily observed on the sing-rooted tooth surface near the alveolar crest, whereas molars at the root furcation. The OTA was found to increase under conditions such as narrowing of root width, decrease in the root apical curvature, change from type I to IV bone, alveolar bone loss, and shortening of root length. Moreover, the clinically validated model demonstrated that 74% of outcomes fell within the standard OTA range. In conclusion, the decrease in PDL area necessitated a larger angle for complete PDL tearing. Single-rooted teeth with root width-to-thickness ratios of ≥0.42 and apical curvatures of ≤30°are suitable for extraction using the torsion method. This study confirms the feasibility of the torsion method for minimally invasive tooth extraction and expands its indications, laying the theoretical foundation and essential insights for its clinical application.

5.
Small ; : e2405639, 2024 Oct 31.
Artículo en Inglés | MEDLINE | ID: mdl-39478666

RESUMEN

The 1H-benzo[f]indole (Bd[f]), a carbazole (Cz) isomer is first reported as the source of Cz-based phosphors in 2020. In this work, the novel carbazole isomers, 1H-benzo[g]indole (Bd[g]) based derivatives, are synthesized by a one-step solvent-free mechanical ball milling reaction, establishing a facile, efficient, and environmentally friendly method for the synthesis of new Cz isomer phosphorescent derivatives with high yields compared to previously reported multi-step solvent-based thermochemical synthesis routes of Bd[f] derivatives with low yields. Six Bd[g] derivatives with different substituents, namely OCH3-Bd, In-Bd, Bn-Bd, F-Bd, Cl-Bd, and Br-Bd, are synthesized, which exhibit distinctly different single-crystal structures and phosphorescent properties. After irradiation with 365 nm UV light, Bd[g] derivatives-doped poly (methyl methacrylate) (PMMA) films exhibit photoactivated green room-temperature phosphorescence with ultra-long lifetimes up to 1.65 s. Interestingly, the phosphorescence is stable in seawater along with good bactericidal properties, which also provide new candidates for indole-based marine antifoulants. This study demonstrates that mechanical ball milling is an efficient method for the synthesis of benzoindole heterocycles. Bd[g], as new members of the benzoindole family, are new building units to construct carbazole isomer phosphorescent molecules besides Bd[f].

6.
Int J Biol Macromol ; 279(Pt 3): 135209, 2024 Nov.
Artículo en Inglés | MEDLINE | ID: mdl-39244135

RESUMEN

This study aimed to evaluate the efficacy and therapeutic mechanism of parthenolide (PTL) in breast cancer (BC) through a comprehensive strategy integrating network pharmacology, single-cell RNA sequencing (scRNA-seq) and metabolomics. In network pharmacology, 70 therapeutic targets were identified, of which 16 core targets were filtered out through seven classical algorithms of Cytohubba plugin. Additionally, the hub module of PPI network was extracted using MCODE plugin. Molecular docking and molecular dynamics simulation showed a potent binding affinity between PTL and JNK, subsequently validated by MST and SPR assays. Further, Mendelian randomization analysis indicated that JNK was causally associated with BC. GO and KEGG enrichment analyses revealed that PTL counteracted BC via promoting ROS generation, inducing apoptosis and suppressing proliferation, which potentially involved the coordinated regulation of MAPK and FoxO1 pathways. Moreover, ssGSEA and scRNA-seq analysis suggested that PTL may act on T cell immune microenvironment of BC. Subsequently, these bioinformatics-based predictions were experimentally validated using in-vitro and in-vivo models. Finally, metabolome profiling unveiled that PTL remodeled the glycine, serine and threonine metabolism as well as biosynthesis of unsaturated fatty acids, and thereby contributed to BC inhibition. From molecular, immune and metabolic perspectives, this study not only provided a unique insight into the mechanistic details of PTL against BC, but also proposed a novel promising therapeutic strategy for BC.


Asunto(s)
Neoplasias de la Mama , Metabolómica , Farmacología en Red , Sesquiterpenos , Humanos , Sesquiterpenos/farmacología , Sesquiterpenos/química , Neoplasias de la Mama/tratamiento farmacológico , Neoplasias de la Mama/metabolismo , Neoplasias de la Mama/patología , Neoplasias de la Mama/genética , Metabolómica/métodos , Femenino , Análisis de la Célula Individual , Animales , Línea Celular Tumoral , Simulación del Acoplamiento Molecular , Regulación Neoplásica de la Expresión Génica/efectos de los fármacos , Ratones , MAP Quinasa Quinasa 4/metabolismo , Proliferación Celular/efectos de los fármacos , Análisis de Secuencia de ARN , Apoptosis/efectos de los fármacos , Metaboloma/efectos de los fármacos , Simulación de Dinámica Molecular
7.
Aesthetic Plast Surg ; 48(19): 3741-3750, 2024 Oct.
Artículo en Inglés | MEDLINE | ID: mdl-39134680

RESUMEN

BACKGROUND: Mandibular genioplasty, a central procedure in oral and maxillofacial surgery, has traditionally relied on surgeon experience with potential limitations in precision. The advent of digital methods, particularly computer-aided design/computer-aided manufacturing (CAD/CAM), offers a promising alternative. This study aims to evaluate the efficacy of digital surgical guides in improving the precision of mandibular genioplasty. METHODS: A prospective analysis of 50 patients undergoing genioplasty was performed, 30 in the experimental group using digital surgical guides and 20 in the control group using traditional methods. Three-dimensional reconstructions were obtained using cone-beam computed tomography (CBCT) and digital scans. Osteotomy guides were 3D-printed based on group assignment. Postoperatively, accuracy was assessed by measuring distances between landmarks. RESULTS: The experimental group showed significantly reduced horizontal positioning errors in genioplasty advancement, with no significant differences in vertical errors. For genioplasty retraction, the experimental group showed fewer vertical positioning errors, while horizontal errors remained consistent. CONCLUSIONS: The use of digital surgical guides in mandibular genioplasty significantly improves surgical accuracy, resulting in improved outcomes and patient satisfaction. This study highlights the potential of digital methods in refining oral and maxillofacial surgical procedures. LEVEL OF EVIDENCE III: This journal requires that authors assign a level of evidence to each article. For a full description of these Evidence-Based Medicine ratings, please refer to the Table of Contents or the online Instructions to Authors www.springer.com/00266.


Asunto(s)
Mentoplastia , Mandíbula , Cirugía Asistida por Computador , Humanos , Mentoplastia/métodos , Femenino , Estudios Prospectivos , Masculino , Adulto , Cirugía Asistida por Computador/métodos , Adulto Joven , Mandíbula/cirugía , Mandíbula/diagnóstico por imagen , Imagenología Tridimensional , Impresión Tridimensional , Diseño Asistido por Computadora , Tomografía Computarizada de Haz Cónico/métodos , Resultado del Tratamiento , Adolescente
8.
Cell Biol Int ; 48(9): 1301-1312, 2024 Sep.
Artículo en Inglés | MEDLINE | ID: mdl-39021301

RESUMEN

Adriamycin (ADR) is widely used against breast cancer, but subsequent resistance always occurs. YAP, a downstream protein of angiomotin (AMOT), importantly contributes to ADR resistance, whereas the mechanism is largely unknown. MCF-7 cells and MDA-MB-231 cells were used to establish ADR-resistant cell. Then, mRNA and protein expressions of AMOT and YAP expressions were determined. After AMOT transfection alone or in combination with YAP, the sensitivity of the cells to ADR were evaluated in vitro by examining cell proliferation, apoptosis, and cell cycle, as well as in vivo by examining tumor growth. Additionally, the expressions of proteins in YAP pathway were determined in AMOT-overexpressing cells. In the ADR-resistant cells, the expression of AMOT was decreased while YAP was increased, respectively, and the nucleus localization of YAP was increased at the same time. After AMOT overexpression, these were inhibited, whereas the cell sensitivity to ADR was enhanced. However, the AMOT-induced changes were significantly suppressed by YAP knockdown. The consistent results in vivo showed that AMOT enhanced the inhibition of ADR on tumor growth, and inhibited YAP signaling, evidenced by decreased levels of YAP, CycD1, and p-ERK. Our data revealed that decreased AMOT contributed to ADR resistance in breast cancer cells, which was importantly negatively mediated YAP. These observations provide a potential therapy against breast cancer with ADR resistance.


Asunto(s)
Angiomotinas , Apoptosis , Neoplasias de la Mama , Proliferación Celular , Doxorrubicina , Resistencia a Antineoplásicos , Ratones Desnudos , Proteínas Señalizadoras YAP , Humanos , Doxorrubicina/farmacología , Neoplasias de la Mama/metabolismo , Neoplasias de la Mama/tratamiento farmacológico , Neoplasias de la Mama/patología , Resistencia a Antineoplásicos/efectos de los fármacos , Femenino , Proliferación Celular/efectos de los fármacos , Apoptosis/efectos de los fármacos , Línea Celular Tumoral , Células MCF-7 , Proteínas Señalizadoras YAP/metabolismo , Animales , Factores de Transcripción/metabolismo , Factores de Transcripción/genética , Ratones , Proteínas Adaptadoras Transductoras de Señales/metabolismo , Proteínas Adaptadoras Transductoras de Señales/genética , Ratones Endogámicos BALB C , Antibióticos Antineoplásicos/farmacología , Transducción de Señal/efectos de los fármacos , Proteínas de la Membrana/metabolismo , Proteínas de la Membrana/genética , Proteínas de Microfilamentos/metabolismo , Proteínas de Microfilamentos/genética , Regulación Neoplásica de la Expresión Génica/efectos de los fármacos , Ciclo Celular/efectos de los fármacos
9.
Front Mol Biosci ; 11: 1339973, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-38845779

RESUMEN

Background: In recent years, the incidence of insulin resistance is increasing, and it can cause a variety of Metabolic syndrome. Ginsenosides have been clinically proven to improve fat metabolism and reduce insulin resistance, but their components and mechanism of action are still unclear. Objective: Ginsenoside, a bioactive compound derived from ginseng, exhibits significant potential in treating obesity, diabetes, and metabolic disorders. Despite evidence supporting its efficacy in ameliorating insulin resistance (IR) in obesity, the specific bioactive components and underlying mechanisms remain obscure. In this study, we endeavored to elucidate the potential molecular targets and pathways influenced by ginsenoside Rh3 (GRh3) to ameliorate IR in liver tissue. We employed a comprehensive approach that integrates system pharmacology and bioinformatics analysis. Materials and methods: Our methodology involved the identification of candidate targets for GRh3 and the profiling of differentially expressed genes (DEGs) related to IR in individuals with insulin resistance. The coalescence of candidate targets and DEGs facilitated the construction of a "GRh3-targets-disease" network for each tissue type, ultimately yielding 38 shared target genes. Subsequently, we conducted pathway enrichment analysis, established protein-protein interaction (PPI) networks, and identified hub targets among the GRh3 targets and IR-related DEGs. Additionally, we conducted animal experiments to corroborate the role of these hub targets in the context of GRh3. Results: Our investigation identified a total of 38 overlapping targets as potential candidates. Notably, our analysis revealed crucial hub targets such as EGFR, SRC, ESR1, MAPK1, and CASP3, alongside implicated signaling pathways, including those related to insulin resistance, the FoxO signaling pathway, the PPAR signaling pathway, and the IL-17 signaling pathway. This study establishes a robust foundation for the mechanisms underlying GRh3's efficacy in mitigating IR. Furthermore, these results suggest that GRh3 may serve as a representative compound within the ginsenoside family. Conclusion: This study elucidates the potential molecular targets and associated pathways through which GRh3 ameliorates IR, showcasing its multifaceted nature, spanning multiple targets, pathways, and mechanisms. These findings establish a robust foundation for subsequent experimental inquiries and clinical applications.

10.
Int J Endocrinol ; 2024: 5341646, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-38515506

RESUMEN

Background: Serum uric acid (SUA) and glycosylated hemoglobin (HbA1c) were closely related to the body's metabolism. This study aimed to investigate the relationship between HbA1c and SUA in adults. Methods: This study selected 7293 participants aged ≥20 from 2011 to 2020 in the National Health and Nutrition Examination Survey (NHANES). The multivariate linear regression model was used to test the association between HbA1c and SUA. Subgroup analysis was performed according to age, gender, race, and body mass index (BMI). This study solved the relationship between HbA1c and SUA by fitting a smooth curve. Finally, the inflection point in the nonlinear relationship was calculated by the recursive algorithm, and the relationship between HbA1c and SUA on both sides of the inflection point was analyzed by the two-segment piecewise linear regression model. Results: All 7293 participants found a negative correlation between HbA1c and SUA by completely adjusting the model (ß = -7.93 and 95% CI: -9.49--6.37). In addition, when this study was stratified by gender, age, race, and BMI status, this negative correlation was still statistically significant. In the subgroup analysis, we found that the relationship between the two had different results due to gender differences. In men, HbA1c had a significant negative correlation with SUA. However, in women, the HbA1c value was positively correlated with SUA before 6.8%, and the HbA1c value was negatively correlated with SUA after 6.8%, which indicates that the relationship between HbA1c and SUA in women has changed in prediabetes and diabetes. Conclusion: This study shows that HbA1c is positively correlated with SUA in American adults before 7%. There is a negative correlation after the HbA1c value of 7%.

11.
Nutr Metab Cardiovasc Dis ; 34(5): 1295-1304, 2024 May.
Artículo en Inglés | MEDLINE | ID: mdl-38508994

RESUMEN

BACKGROUND AND AIM: Diabetes retinopathy (DR) is a common microvascular complication of diabetes, and it is the main cause of global vision loss. The current observational research results show that the causal relationship between Vitamin D and DR is still controversial. Therefore, we conducted a Mendelian randomization study to determine the potential causal relationship between serum 25-hydroxyvitamin D 25(OH)D and DR. METHODS AND RESULTS: In this study, we selected aggregated data on serum 25(OH)D levels (GWAS ID: ebi-a-GCST90000615) and DR (GWAS ID: finn-b-DM_RETINOPATHY) from a large-scale GWAS database. Then use MR analysis to evaluate the possible causal relationship between them. We mainly use inverse variance weighted (IVW), supplemented by MR Egger and weighted median methods. Sensitivity analysis is also used to ensure the stability of the results, such as Cochran's Q-test, MR-PRESSO, MR-Egger interception test, and retention method. The MR analysis results showed that there was no significant causal relationship between 25(OH)D and DR (OR = 1.0128, 95%CI=(0.9593,1.0693), P = 0.6447); Similarly, there was no significant causal relationship between DR and serum 25 (OH) D levels (OR = 0.9900, 95% CI=(0.9758,1.0045), P = 0.1771). CONCLUSION: Our study found no significant causal relationship between serum 25(OH)D levels and DR, and vice versa. A larger sample size randomized controlled trial is needed to further reveal its potential causal relationship.


Asunto(s)
Diabetes Mellitus , Retinopatía Diabética , Enfermedades de la Retina , Humanos , Análisis de la Aleatorización Mendeliana , Retinopatía Diabética/diagnóstico , Retinopatía Diabética/epidemiología , Retinopatía Diabética/genética , Vitamina D , Bases de Datos Factuales , Estudio de Asociación del Genoma Completo
12.
Curr Issues Mol Biol ; 46(1): 650-662, 2024 Jan 09.
Artículo en Inglés | MEDLINE | ID: mdl-38248344

RESUMEN

Isocorydine (ICD) exhibits strong antitumor effects on numerous human cell lines. However, the anticancer activity of ICD against oral squamous cell carcinoma (OSCC) has not been reported. The anticancer activity, migration and invasion ability, and changes in the cytoskeleton morphology and mechanical properties of ICD in OSCC were determined. Changes in the contents of reactive oxygen species (ROS), the mitochondrial membrane potential (MMP), ATP, and mitochondrial respiratory chain complex enzymes Ⅰ-Ⅳ in cancer cells were studied. ICD significantly inhibited the proliferation of oral tongue squamous cells (Cal-27), with an IC50 of 0.61 mM after 24 h of treatment. The invasion, migration, and adhesion of cancer cells were decreased, and cytoskeletal actin was deformed and depolymerized. In comparison to an untreated group, the activities of mitochondrial respiratory chain complex enzymes I-IV were significantly decreased by 50.72%, 27.39%, 77.27%, and 73.89%, respectively. The ROS production increased, the MMP decreased by 43.65%, and the ATP content decreased to 17.1 ± 0.001 (mmol/mL); ultimately, the apoptosis rate of cancer cells increased up to 10.57% after 24 h of action. These findings suggest that ICD exerted an obvious anticancer activity against OSCC and may inhibit Cal-27 proliferation and growth by causing mitochondrial dysfunction and interrupting cellular energy.

13.
J Phys Chem Lett ; 15(2): 514-524, 2024 Jan 18.
Artículo en Inglés | MEDLINE | ID: mdl-38193895

RESUMEN

Benzo[1,2-b:4,5-b']dithiophene (BDT) and its derivatives have made important contributions to constructing high-performance polymers. However, it is difficult to clarify the real role of donor units due to the interference of strong electronegativity and crystallinity of acceptor units in the D-A copolymer. Here, we design a cyclohexane-substituted dithieno[3,2-f:2',3'-h]quinoxaline (DTQ)-based acceptor unit with successfully destroyed crystallinity and charge transport. Three donor-dominated materials PQH-BTF, PQH-BTCl, and PQH-BFCl are obtained. It is found that the materials exhibit obvious differences after destroying the crystallization and charge transport of the acceptor unit, and the real role of different two-dimensional donor units in designed polymers is confirmed. The backbone BDF exhibits much stronger intermolecular interactions compared to BDT, while the side chain ThF demonstrates a higher crystallization capacity than that of ThCl. More interestingly, it can be inferred that the molecular backbone is likely to construct miscible-phase crystallization (D-A crystal) while the side chain tends to demonstrate a capacity for pure-phase crystallization (D-D crystal) in a 2D donor system. Different crystallization leads to different exciton transport: pure-phase crystallization is conducive to the reduction of trap-assisted recombination, while miscible crystallization is beneficial to the reduction of bimolecular recombination. This work can help to choose donor units more accurately when preparing D-A copolymers.

14.
Nanomaterials (Basel) ; 13(7)2023 Mar 29.
Artículo en Inglés | MEDLINE | ID: mdl-37049313

RESUMEN

Tunicate nanocellulose with its unique properties, such as excellent mechanical strength, high crystallinity, and good biodegradability, has potential to be used for the preparation of light management film with tunable transmittance and haze. Herein, we prepared a whole tunicate cellulose film with tunable haze levels, by mixing tunicate microfibrillated cellulose (MFC) and tunicate cellulose nanofibrils (CNF). Then, the obtained whole tunicate cellulose film with updated light management was used to modify the organic solar cell (OSC) substrate, aiming to improve the light utilization efficiency of OSC. Results showed that the dosage of MFC based on the weight of CNF was an important factor to adjust the haze and light transmittance of the prepared cellulose film. When the dosage of MFC was 3 wt.%, the haze of the obtained film increased 74.2% compared to the pure CNF film (39.2%). Moreover, the optimized tunicate cellulose film exhibited excellent mechanical properties (e.g., tensile strength of 168 MPa, toughness of 5.7 MJ/m3) and high thermal stability, which will be beneficial to the workability and durability of OSC. More interestingly, we applied the obtained whole tunicate cellulose film with a high haze (68.3%) and high light transmittance (85.0%) as an additional layer to be adhered to the glass substrate of OSC, and a notable improvement (6.5%) of the power conversion efficiency was achieved. With the use of biodegradable tunicate cellulose, this work provides a simple strategy to enhance light management of the transparent substrate of OSC for improving power conversion efficiency.

15.
J Colloid Interface Sci ; 641: 619-630, 2023 Jul.
Artículo en Inglés | MEDLINE | ID: mdl-36963255

RESUMEN

Heterojunctions based on conjugated polymers (PHJs) are of promise as photocatalysts. Here, we fabricate the two-dimensional benzodithiophene (BDT) and thieno[2,3-f]benzofuran (TBF) based conjugated polymers/g-C3N4 PHJs creatively using the symmetry-breaking strategy. PD1 and PD3 with the asymmetric backbone TBF have better crystallinity. Moreover, PD3 utilizing fluorinated benzotriazole as the electron acceptor unit possesses more compact π - π stacking and higher charge mobility. The conjugated polymer PD5 with asymmetric side chains in the donor unit BDT guarantees more efficient charge transfer in the corresponding PD5/g-C3N4 PHJ while maintaining comparable light utilization rate. Consequently, PD5/g-C3N4 shows the champion performance with photocatalytic sterilization rates reaching 99.1% and 97.3% for S. aureus and E. coli. Notably, the reaction rate constant for Rhodamine B degradation of PD5/g-C3N4 is 8 times that of g-C3N4, a record high among conjugated polymers/g-C3N4. This study aims to reveal the structure - property correlation of asymmetric conjugated polymers/g-C3N4 for potential photocatalysis applications.

16.
Small ; 19(6): e2205244, 2023 Feb.
Artículo en Inglés | MEDLINE | ID: mdl-36436884

RESUMEN

Liquid-crystal small molecule donor (LC-SMD) is a new type organic semiconductor, which is attractive not only for the easy synthesis and purification, well-defined chemical structures, etc., but also for the LC state that makes the crystallinity and aggregation state of molecules adjustable. Here, one new LC-SMD (a-BTR-H4) is synthesized with 1D alkoxyl and 2D thiophene-alkylthiol side-chained benzo[1,2-b:4,5-b']dithiophene core, trithiophene π-bridge, and 3-(2-ethylhexyl) rhodanine end group. a-BTR-H4 shows low LC transition temperature, 117 °C, however, counterpart material (a-BTR-H5) with the same main structure but 3-ethyl rhodanine terminal group does not show LC properties. Although a-BTR-H4/H5 show similar Ultraviolet-visible absorption spectrum and energy levels, a-BTR-H4 affords relatively high photovoltaic performances due to favorable blend morphology produced by the consistent annealing temperature of Y6-based accepters and liquid crystal temperature of donors. Preliminary results indicate that a-BTR-H4 gains a power conversion efficiency (PCE) of 11.36% for Y6-based devices, which is ascribed to better light harvest as well as balanced carrier generation and transport, while a-BTR-H5 obtains 7.57% PCE. Therefore, some materials with unique nematic LC phase have great application potential in organic electronics, and further work to utilize a-BTR-H4 for high-performance device is underway.

17.
Biomed Res Int ; 2022: 7978258, 2022.
Artículo en Inglés | MEDLINE | ID: mdl-36452059

RESUMEN

Objective: This study systematically explored the mechanism of Rhizoma Coptidis-Eupatorium fortunei in treating type 2 diabetes mellitus (T2DM) by using network pharmacology and molecular docking methods. Methods: The TCMSP database was used to screen out the active ingredients and related targets of Rhizoma Coptidis-Eupatorium fortunei (R-E) drug pair. GeneCards, OMIM, DrugBank, and other databases were used to screen the related targets of T2DM, and then, the UniProt database was used to standardize the relevant targets of T2DM. Then, the Venn analysis was performed on the active ingredient-related targets and disease-related targets of R-E drugs to find the intersection targets. Using the STRING database and Cytoscape software, the PPI network and "drug-active ingredient-target-disease" network are constructed by intersecting targets and corresponding active ingredients. Through the cluster profiler package in the R software, GO function enrichment analysis and KEGG pathway enrichment analysis were carried out on the intersection targets and the screened core targets, and the prediction results were verified by molecular docking. Results: Taking OB ≥ 30% and DL ≥ 0.18 as the standard, a total of 25 effective active ingredients of R-E drug pairs were screened, including berberine, palmatine, coptisine, and so on. After corresponding, 19 effective chemical components and 284 targets of the R-E drug pair were obtained. After searching multiple disease databases, 1289 T2DM-related targets were screened. After the summary, 159 common targets were obtained in this study. Finally, in the bioinformatics analysis, this study concluded that quercetin, luteolin, berberine, palmatine, and coptisine are the main chemical components of the R-E drug pair. ESR1, MAPK1, AKT1, TP53, IL6, and JUN are the important core targets. GO and KEGG enrichment analyses showed that Rhizoma Coptidis-Eupatorium fortunei could improve T2DM by regulating multiple biological processes and pathways. Molecular docking results showed that berberine, palmatine, and coptisine had higher binding to the core target, and MAPK1, AKT1, and IL6 could stably bind to the active ingredients of Rhizoma Coptidis-Eupatorium fortunei. Conclusion: Rhizoma Coptidis-Eupatorium fortunei may have therapeutic effects on T2DM such as anti-inflammatory and regulating glucose and lipid metabolism through multiple components, multiple targets, and multiple signaling pathways, which provides a scientific basis for further research on the hypoglycemic effect of Rhizoma Coptidis-Eupatorium fortunei drug pair.


Asunto(s)
Antineoplásicos , Berberina , Diabetes Mellitus Tipo 2 , Medicamentos Herbarios Chinos , Eupatorium , Simulación del Acoplamiento Molecular , Medicamentos Herbarios Chinos/farmacología , Diabetes Mellitus Tipo 2/tratamiento farmacológico , Farmacología en Red , Interleucina-6
18.
Artículo en Inglés | MEDLINE | ID: mdl-36554371

RESUMEN

The domino event caused by fire is one of the common accidents in hydrocarbon storage tank farms, which further expands the severity and scope of the accident. Due to the different failure sequence of the storage tanks in a domino accident, the radiant heat generated by the failed storage tank to the target tank is different. Based on the influence of this synergistic effect, this study combined the Monte Carlo algorithm and FSEM, and proposed a fast real-time probability calculation method for a fire domino accident in a storage tank area, for the first time. This method uses the Monte Carlo algorithm to simulate all accident scenarios, and obtains the evolution of multiple escalation fire domino accidents under the synergistic effect according to FSEM, and then calculates the real-time failure probability and risk. Based on a comprehensive analysis of the accident propagation path, this method avoids the problem of a large amount of calculation, and is conducive to the rapid and effective analysis of the fire risk in a storage tank area and the formulation of corresponding risk reduction measures. The effectiveness and superiority of the proposed method were proved by a case study.

19.
Contrast Media Mol Imaging ; 2022: 1118745, 2022.
Artículo en Inglés | MEDLINE | ID: mdl-36159169

RESUMEN

In order to study the rehabilitation of dysphagia after stroke, this paper uses tomographic imaging technology and repeated transcranial magnetic stimulation rTMS therapy to verify the effect of this treatment method on the rehabilitation of dysphagia after stroke. In this study, the method of systematic review and meta-analysis are used to comprehensively collect the current published literature on the application of repeated transcranial magnetic stimulation in post-stroke dysphagia, and to quantitatively synthesize and qualitatively analyze the data and opinions. This article aims to explore the therapeutic effect and mechanism of repeated transcranial magnetic stimulation in the treatment of dysphagia after stroke, and to evaluate its effectiveness, so as to better guide the application of repetitive transcranial magnetic stimulation in the rehabilitation of dysphagia after stroke. The evaluation methods of rTMS for the clinical efficacy of PAS, FDS, VDS, DOSS, DD, and BI in patients with dysphagia after stroke are consistent. The influencing factors of rTMS on the swallowing function impairment of stroke include the choice of stimulation frequency, stimulation site, and stimulation time. Low-frequency stimulation of the contralateral hemisphere and high-frequency stimulation of the affected brain can reduce the excitability of the contralateral brain and enhance the excitability of the affected brain. The stimulation site is mainly in the pharyngeal cortex. Experiments show that rTMS can improve swallowing dysfunction after stroke within 2 weeks, and rTMS has no obvious side effects on swallowing dysfunction in patients with cerebral infarction.


Asunto(s)
Trastornos de Deglución , Accidente Cerebrovascular , Deglución/fisiología , Trastornos de Deglución/etiología , Trastornos de Deglución/terapia , Humanos , Accidente Cerebrovascular/complicaciones , Estimulación Magnética Transcraneal/métodos , Resultado del Tratamiento
20.
J Colloid Interface Sci ; 627: 880-890, 2022 Dec.
Artículo en Inglés | MEDLINE | ID: mdl-35901567

RESUMEN

A series of molecules with imide units bridged by the core of thiophene-based groups, namely N-dimethylaminopropyl-4-thiophene-1,8- naphthalimide (NT), bis(N-dimethylaminopropyl)-4-thiophene-1,8-naphthalimide (NTN), and bis(N-dimethylaminopropyl)-4-bithiophene-1,8-naphthalimide (N2TN), have been reported as cathode interfacial materials (CIMs) to realize low interfacial tension with the blend in organic solar cells (OSCs). We evaluated the Ohmic contact between the active layer and these cathode interlayers basedon various characterizations, which is of great significance for further understanding these imide-based interlayers. It turned out that the homogeneous and continuous NTN interlayer as a CIM balanced the factors of crystallization and film-forming property, and broke through the limitation of poor conductivity and high aggregation in our previous work. Moreover, compared with NT and N2TN, the NTN interlayer achieve a combination of good solubility in methanol, efficient electron mobility, and aligned work function. These advantages of NTN are conducive to the realization of high-efficient interfacial electron collection and transfer, thus improving the short-circuit current density (JSC) and filling factor (FF) of devices. Therefore, the binary OSCs (PM6:Y6) based on NTN engineered aluminium-cathode with excellent stability demonstrate a maximum power conversion efficiency (PCE) of 16.56 %, which is higher than NT (PCE = 1.34 %) and N2TN (PCE = 13.90 %). The enhanced performance is ascribed to the improvement of JSC and FF, which is originated from the outstanding conductivity and high-quality interface of NTN. Surprisingly, the PM6:Y6-based semitransparent device with NTN obtain a PCE of 13.43 % with an average visible transmittance of 17.79 %, which is better than traditional PDINO. This study highlights a potential strategy for enhancing the performance of OSCs by the interface engineering via decreasing the interfacial intension.

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