RESUMO
We report a thin-film optical amplifier integrated on a fiber facet based on polymer-coated distributed feedback (DFB) microcavities, which are fabricated on a planar substrate and then transferred onto fiber tips by means of a flexible transfer technique. The amplified light directly couples into the fiber and is detected when coupled out at the other end after propagating along the fiber for about 20 cm. A prominently amplification factor of about 4.33 at 578.57 nm is achieved by sending supercontinuum pulses into the hundreds of micrometers' DFB microcavities along the normal direction, which is also the axis direction of the fiber. The random distortions of grating lines generated during the transfer process result in a larger amplification spectral range and a less strict polarization dependence for injected light. Benefitting from the device size of hundreds of micrometers and the ease of integration, polymer amplifiers based on DFB microcavities demonstrate significant application potentials in optical communication systems and miniaturized optical devices.
RESUMO
Thermochromic hydrogels exhibit a smart capacity for regulating solar spectrum transmission, enabling automatically change their transmissivity in response to the ambient temperature change. This has great importance for energy conservation purposes. Military and civilian emergency thermochromic applications require rapid visible-light stealth (VLS); however, concurrent smart solar transmission and rapid VLS is yet to be realized. Inspired by squid-skin, we propose a micropatterned thermochromic hydrogel (MTH) to realize the concurrent control of smart solar transmittance and rapid VLS at all-working temperatures. The MTH possesses two optical regulation mechanisms: optical property regulation and optical scattering, controlled by temperature and pressure, respectively. The introduced surface micropattern strategy can arbitrarily switch between normal and diffuse transmission, and the VLS response time is within 1 s compared with previous ~180 s. The MTH also has a high solar-transmission regulation range of 61%. Further, the MTH preparation method is scalable and cost-effective. This novel regulation mechanism opens a new pathway towards applications with multifunctional optical requirements.
RESUMO
OBJECTIVE: To explore the serological characteristics and genetic variant in a Chinese pedigree with Bw subtype. METHODS: A 32-year-old female proband who had undergone prenatal examination on December 10, 2020 at the 960th Hospital of the PLA Joint Logistics Support Force and five members from her pedigree were selected as the study subjects. Peripheral blood samples were collected and subjected to ABO blood group phenotyping with serological methods and ABO blood group genotyping with fluorescent PCR. Genetic testing and haplotype analysis were carried out by direct sequencing of the entire coding region of the ABO gene in the proband and cloned sequencing of exons 1-7. RESULTS: The blood type serology of the proband showed Bw, and her ABO blood type genotype determined by fluorescence PCR was B/O. The direct sequencing results showed that the proband had matched the ABO*O.01.01/ABO*B.01 genotype and carried a c.1A>G variant. Cloned sequencing has confirmed the c.1A>G variant to have occurred in the ABO*B.01 allele. Family analysis revealed that the mother of the proband had an O blood type, her husband had a B phenotype, and her three children had a normal B blood type. DNA sequencing showed that the two sons of the proband had a genotype of ABO*B.01 and c.1A>G/ABO*B.01. The daughter of the proband was ABO*O.01.01/ABO*B.01, whilst her mother was ABO*O.01.01/ABO *O.01.02. The novel c.1A>G variant sequence has been registered with the database with a number MZ076785 1. CONCLUSION: The novel c.1A>G variant of exon 1 of α- 1,3 galactose aminotransferase gene probably underlay the reduced expression of B antigen in this pedigree.
Assuntos
Sistema ABO de Grupos Sanguíneos , Povo Asiático , N-Acetilgalactosaminiltransferases , Linhagem , Adulto , Feminino , Humanos , Sistema ABO de Grupos Sanguíneos/genética , Alelos , Povo Asiático/genética , China , População do Leste Asiático , Genótipo , N-Acetilgalactosaminiltransferases/genéticaRESUMO
In the field of information processing, all-optical routers are significant for achieving high-speed, high-capacity signal processing and transmission. In this study, we developed three types of structurally simple and flexible routers using the deep diffractive neural network (D2NN), capable of routing incident light based on wavelength and polarization. First, we implemented a polarization router for routing two orthogonally polarized light beams. The second type is the wavelength router that can route light with wavelengths of 1550, 1300, and 1100 nm, demonstrating outstanding performance with insertion loss as low as 0.013 dB and an extinction ratio of up to 18.96 dB, while also maintaining excellent polarization preservation. The final router is the polarization-wavelength composite router, capable of routing six types of input light formed by pairwise combinations of three wavelengths (1550, 1300, and 1100 nm) and two orthogonal linearly polarized lights, thereby enhancing the information processing capability of the device. These devices feature compact structures, maintaining high contrast while exhibiting low loss and passive characteristics, making them suitable for integration into future optical components. This study introduces new avenues and methodologies to enhance performance and broaden the applications of future optical information processing systems.
RESUMO
There remains no optimal anticoagulation protocol for continuous renal replacement therapy (CRRT) with regional citrate anticoagulation (RCA) in pediatric patients with elevated D-dimer levels. We aimed to assess the effects of different anticoagulation strategies on the risk of CRRT filter clotting in these patients. Pediatric patients undergoing CRRT were retrospectively grouped based on pre-CRRT D-dimer levels and anticoagulant: D-RCA group (normal D-dimer, RCA only, n = 22), D+ RCA group (elevated D-dimer, RCA only, n = 50), and D+ RCA+ systemic heparin anticoagulation (SHA) group (elevated D-dimer, RCA combined with SHA, n = 55). The risk of filter clotting and incidence of bleeding were compared among the groups. Among the groups, the D+ RCA+ SHA group had the longest filter lifespan; further, the incidence of bleeding was not increased by concurrent use of low-dose heparin for anticoagulation. Moreover, concurrent heparin anticoagulation was associated with a decreased risk of filter clotting. Contrastingly, high pre-CRRT hemoglobin and D-dimer levels and post-filter ionized calcium level > 0.4 mmol/L were associated with an increased risk of filter clotting. RCA combined with low-dose heparin anticoagulation could reduce the risk of filter clotting and prolong filter lifespan without increasing the risk of bleeding in patients with elevated D-dimer levels undergoing CRRT.
Assuntos
Anticoagulantes , Ácido Cítrico , Terapia de Substituição Renal Contínua , Produtos de Degradação da Fibrina e do Fibrinogênio , Heparina , Humanos , Anticoagulantes/administração & dosagem , Heparina/administração & dosagem , Terapia de Substituição Renal Contínua/métodos , Masculino , Feminino , Ácido Cítrico/administração & dosagem , Criança , Produtos de Degradação da Fibrina e do Fibrinogênio/análise , Produtos de Degradação da Fibrina e do Fibrinogênio/metabolismo , Pré-Escolar , Estudos Retrospectivos , Lactente , Hemorragia/prevenção & controle , Hemorragia/etiologia , Coagulação Sanguínea/efeitos dos fármacos , Adolescente , Terapia de Substituição Renal/métodosRESUMO
The Brust-Schiffrin two-phase method is a facile way to prepare thiolate-protected metal nanoparticles, but its mechanism remains controversial. In this work, we demonstrate the use of the Brust-Schiffrin method based on coordination compound theory. We confirmed that the formation of stable complexes is the driving force for a series chemical reaction in the organic phase. We found that the stable Cu(I)-thiolate complex decreased the half-cell reduction potential of Cu(I)/Cu(0). Thus, when thiol ligands were in excess, thiolate-protected Cu(I) clusters formed rather than Cu(0)-cored nanoparticles. The thiolate-protected metal-hydride nanoclusters were the intermediate between the metal complexes and nanoparticles. The "metallophilic" interactions of the d10 closed-shell electronic configuration of the metal coordination centers were proposed as the driving force for nanocluster and nanoparticle formation. To confirm this mechanism, we synthesized Au, Ag, and Cu monometallic nanoparticles and bi- and trimetallic nanoparticles. We found that although thiolate-protected Cu(I) nanoclusters are not easily reduced, they can combine with Au and/or Ag nanoclusters to form nanoparticles. The proposed mechanism is expected to provide deeper insight into the Brust-Schiffrin method and further extend its application to metals other than Au, Ag and Cu.
RESUMO
The perovskite solar cell (PSC) has the benefits of flexibility, inexpensiveness, and high efficiency, and has important prospective applications. However, serious optical losing and low solar energy-utilizing efficiency remain a challenge for the ultra-thin PSCs because of the interface reflection of traditional planar structure. In this study, a hierarchical pore structure with a confined resonant mode is introduced and optimized by electromagnetic theory to improve the solar energy absorbing and utilizing efficiency of ultra-thin PSCs. The large pores in the top layer that support a whispering gallery mode can focus and guide the incident light into the solar cell. The small pores in the bottom layer enable backward scattering of the unabsorbed light and can improve the effective absorption of active layer. The finite-difference time-domain method is employed to optimize the geometric parameters of hierarchical pore structure to improve the light absorption of PSCs. The proposed resonant hierarchical pore structure can greatly improve sunlight absorption of ultra-thin PSCs, and the effective light absorption and photocurrent of PSCs with a hierarchical pore structure is 20.7% higher than that of PSCs with traditional planar structure. This work can offer a beneficial guideline for improving solar energy utilizing efficiency of various thin-film solar cells.
RESUMO
BACKGROUND: This study assesses the diagnostic utility of strain parameters from cardiovascular magnetic resonance feature tracking across all cardiac chambers in patients with acute myocarditis, stratified by ejection fraction. METHODS AND RESULTS: Our cohort included 65 patients with acute myocarditis and 25 healthy controls; all underwent cardiac magnetic resonance imaging. Patients were divided into 2 groups based on left ventricular ejection fraction (EF)with a 55% cutoff: acute myocarditis with preserved EF, EF ≥55%, n=48; and acute myocarditis with reduced EF, EF <55%, n=17. The control group matched for age and sex. Cardiovascular magnetic resonance feature tracking evaluated strain parameters across all cardiac chambers. Both acute myocarditis with preserved EF and acute myocarditis with reduced EF groups showed significant decreases in left atrial peak early negative strain rate compared with controls. The acute myocarditis with reduced EF group had significantly reduced left ventricular circumferential strain relative to acute myocarditis with preserved EF and controls. Receiver operating characteristic curve analysis confirmed the diagnostic accuracy in distinguishing patients with acute myocarditis with preserved EF from controls, with left atrial peak early negative strain rate achieving 92.9% specificity, left ventricular circumferential strain demonstrating an area under the curve of 0.832, and similarly effective results for left ventricular longitudinal strain and right ventricular longitudinal strain. Additionally, left atrial peak early negative strain rate and left ventricular circumferential strain showed significant correlations with troponin I levels, indicating myocardial injury. CONCLUSIONS: Cardiovascular magnetic resonance feature-tracking-derived strain parameters, particularly left atrial peak early negative strain rate and left ventricular circumferential strain, effectively diagnose acute myocarditis across different EFs, enhancing diagnostic accuracy and facilitating early detection, notably in patients with preserved EF.
Assuntos
Imagem Cinética por Ressonância Magnética , Miocardite , Volume Sistólico , Função Ventricular Esquerda , Humanos , Miocardite/fisiopatologia , Miocardite/diagnóstico por imagem , Miocardite/diagnóstico , Masculino , Feminino , Volume Sistólico/fisiologia , Adulto , Doença Aguda , Função Ventricular Esquerda/fisiologia , Imagem Cinética por Ressonância Magnética/métodos , Pessoa de Meia-Idade , Valor Preditivo dos Testes , Estudos de Casos e Controles , Estudos RetrospectivosRESUMO
Bacteria-mediated cancer therapeutic strategies have attracted increasing interest due to their intrinsic tumor tropism. However, bacteria-based drugs face several challenges including the large size of bacteria and dense extracellular matrix, limiting their intratumoral delivery efficiency. In this study, we find that hyperbaric oxygen (HBO), a noninvasive therapeutic method, can effectively deplete the dense extracellular matrix and thus enhance the bacterial accumulation within tumors. Inspired by this finding, we modify Escherichia coli Nissle 1917 (EcN) with cypate molecules to yield EcN-cypate for photothermal therapy, which can subsequently induce immunogenic cell death (ICD). Importantly, HBO treatment significantly increases the intratumoral accumulation of EcN-cypate and facilitates the intratumoral infiltration of immune cells to realize desirable tumor eradication through photothermal therapy and ICD-induced immunotherapy. Our work provides a facile and noninvasive strategy to enhance the intratumoral delivery efficiency of natural/engineered bacteria, and may promote the clinical translation of bacteria-mediated synergistic cancer therapy.
Assuntos
Escherichia coli , Oxigenoterapia Hiperbárica , Imunoterapia , Terapia Fototérmica , Oxigenoterapia Hiperbárica/métodos , Animais , Imunoterapia/métodos , Camundongos , Terapia Fototérmica/métodos , Linhagem Celular Tumoral , Humanos , Morte Celular Imunogênica/efeitos dos fármacos , Neoplasias/terapia , Neoplasias/imunologia , Feminino , Camundongos Endogâmicos BALB C , Matriz Extracelular/metabolismoRESUMO
BACKGROUND: Vitamin K3 (VK3), a fat-soluble synthetic analog of the vitamin K family, has coagulant, anti-inflammatory, antibacterial, and anticancer properties. Pseudo allergy is a IgE-independent immune response associated with mast cells. This study investigated the role of VK3 in IgE-independent mast cell activation. METHODS: Substance P (SP) was used to induce LAD2-cell activation in order to analyze the effects of VK3 in vitro. Cutaneous allergy and systemic allergy mouse models were used to analyze the anti-pseudo-allergic effects of VK3. Proteome microarray assays were used to analyze VK3-binding protein. Biolayer interferometry and immunoprecipitation were used to verify interaction between VK3 and its key targets. RNA interference was used to determine the role of GAB1 in LAD2cell activation. RESULTS: VK3 inhibited SP-induced LAD2-cell activation, and resulted in the release of ß-hexosaminidase, histamine and cytokines; VK3 inhibited SP-induced pseudo allergic reactions in mice, and serum histamine and TNF-α levels decreased. Degranulation of skin mast cells was reduced; GAB1 in mast cells was stably bound to VK3. GAB1 participated in SP-induced LAD2-cell activation. GAB1 knockdown in LAD2 cells prevented SP-induced ß-hexosaminidase release, calcium mobilization and cell skeletal remodeling. VK3 directly binds to GAB1 and reduces its expression to inhibited SP-induced LAD2 cell activation. CONCLUSION: The anti-pseudo-allergic activity of VK3 was confirmed in vitro and in vivo. VK3 can inhibit SP-induced mast cell activation by directly targeting GAB1. This study provides new insights on the activity of VK3 and the mechanism of pseudoallergic reaction.
Assuntos
Proteínas Adaptadoras de Transdução de Sinal , Mastócitos , Mastócitos/imunologia , Mastócitos/efeitos dos fármacos , Animais , Proteínas Adaptadoras de Transdução de Sinal/metabolismo , Proteínas Adaptadoras de Transdução de Sinal/genética , Camundongos , Humanos , Substância P/metabolismo , Degranulação Celular/efeitos dos fármacos , Camundongos Endogâmicos BALB C , Hipersensibilidade/imunologia , Hipersensibilidade/tratamento farmacológico , Antialérgicos/farmacologia , Antialérgicos/uso terapêutico , Feminino , Linhagem Celular , beta-N-Acetil-Hexosaminidases/metabolismo , Modelos Animais de DoençasRESUMO
In group-living species, reproductive variation among individuals of the same sex is widespread. By identifying the mechanisms underlying this reproductive skew, we gain fundamental insights into the evolution and maintenance of sociality. A common mechanism, social control, is typically studied by quantifying dominance, which is one of many attributes of sociality that describes how individuals exert influence on others and is an incomprehensive measure of social control as it accounts only for direct relationships. Here, we use the global reaching centrality (GRC), which quantifies the degree of hierarchy in a social network by accounting for both direct and indirect social relationships. Using a wild, free-living population of adult female yellow-bellied marmots (Marmota flaviventris), we found a positive relationship between the reproductive skew index and GRC: more despotic social groups have higher reproductive skew. The GRC was stronger predictor for skew than traditional measures of social control (i.e. dominance). This allows deeper insights into the diverse ways individuals control other group members' reproduction, a core component in the evolution of sociality. Future studies of skew across taxa may profit by using more comprehensive, network-based measures of social control.
Assuntos
Marmota , Reprodução , Comportamento Social , Animais , Marmota/fisiologia , Reprodução/fisiologia , Feminino , Predomínio SocialRESUMO
This study examines the effects of flaxseed gum (FG) on the aggregate structure, pasting and rheological properties of waxy rice starch (WRS). Results display an increase in the ordered molecular structure (R1047/1024), relative crystallinity (RC), compactness (α), and microphase heterogeneity (ε, density degree of nanoaggregates, from 3.52 to 4.23) for WRS-FG complexes. These suggested FG facilitated the development of more organized molecular and crystalline structures of WRS, accompanied by the formation of ordered nanoaggregates with higher density (i.e., nano-aggregation structure). Also, FG addition resulted in the formation of enhanced gel network structure characterized by thicker layer walls and more uniform pores. These structural transformations contributed to a rise in gelatinization temperature (To, from 56.90 °C to 62.10 °C) and enthalpy (ΔH), as well as alterations in paste viscosities (PV, from 1285.00 mPa·s to 1734.00 mPa·s), and the rigidity of network structure (e.g., decreased loss tangent). These results indicate that FG could effectively regulate the techno-functional properties of WRS by rationally controlling the starch intrinsic structures of starch. And this study may improve the pasting and gelling properties of starch, thus driving the development of high-quality starchy foods and prolonging their shelf life, especially for glutinous rice flour products.
Assuntos
Linho , Oryza , Reologia , Amido , Oryza/química , Amido/química , Linho/química , Gomas Vegetais/química , Temperatura , ViscosidadeRESUMO
Objective: This study aims to compare the changes in the disease spectrum of children admitted to the Pediatric Intensive Care Units (PICU) during the COVID-19 pandemic with the three years prior to the pandemic, exploring the impact of the COVID-19 pandemic on the disease spectrum of PICU patients. Methods: A retrospective analysis was conducted on critically ill children admitted to the PICU of Hunan Children's Hospital from January 2020 to December 2022, and the results were compared with cases from the same period between January 2017 and December 2019. The cases were divided into pre-pandemic period (January 2017-December 2019) with 8,218 cases, and pandemic period (January 2020-December 2022) with 5,619 cases. General characteristics, age, and gender were compared between the two groups. Results: Compared to the pre-pandemic period, there was a 31.62% decrease in the number of admitted children during the pandemic period, and a 52.78% reduction in the proportion of respiratory system diseases. The overall mortality rate decreased by 87.81%. There were differences in age and gender distribution between the two periods. The length of hospital stay during the pandemic showed no statistical significance, whereas hospitalization costs exhibited statistical significance. Conclusion: The COVID-19 pandemic has exerted a certain influence on the disease spectrum of PICU admissions. Implementing relevant measures during the pandemic can help reduce the occurrence of respiratory system diseases in children. Considering the changes in the disease spectrum of critically ill PICU children, future clinical prevention and treatment in PICUs should continue to prioritize the respiratory, neurological, and hematological oncology systems.
RESUMO
There has been no severity evaluation model for pediatric patients with hemophagocytic lymphohistiocytosis (HLH) that uses readily available parameters. This study aimed to develop a novel model for predicting the early mortality risk in pediatric patients with HLH using easily obtained parameters whatever etiologic subtype. Patients from one center were divided into training and validation sets for model derivation. The developed model was validated using an independent validation cohort from the second center. The prediction model with nomogram was developed based on logistic regression. The model performance underwent internal and external evaluation and validation using the area under the receiver operating characteristic curve (AUC), calibration curve with 1000 bootstrap resampling, and decision curve analysis (DCA). Model performance was compared with the most prevalent severity evaluation scores, including the PELOD-2, P-MODS, and pSOFA scores. The prediction model included nine variables: glutamic-pyruvic transaminase, albumin, globulin, myohemoglobin, creatine kinase, serum potassium, procalcitonin, serum ferritin, and interval between onset and diagnosis. The AUC of the model for predicting the 28-day mortality was 0.933 and 0.932 in the training and validation sets, respectively. The AUC values of the HScore, PELOD-2, P-MODS and pSOFA were 0.815, 0.745, 0.659 and 0.788, respectively. The DCA of the 28-day mortality prediction exhibited a greater net benefit than the HScore, PELOD-2, P-MODS and pSOFA. Subgroup analyses demonstrated good model performance across HLH subtypes. The novel mortality prediction model in this study can contribute to the rapid assessment of early mortality risk after diagnosis with readily available parameters.
Assuntos
Linfo-Histiocitose Hemofagocítica , Humanos , Linfo-Histiocitose Hemofagocítica/mortalidade , Linfo-Histiocitose Hemofagocítica/diagnóstico , Linfo-Histiocitose Hemofagocítica/sangue , Feminino , Masculino , Pré-Escolar , Criança , Lactente , Medição de Risco , Índice de Gravidade de Doença , Adolescente , Nomogramas , Estudos Retrospectivos , Curva ROC , Fatores de RiscoRESUMO
Organic lasers based on distributed feedback (DFB) microcavities have been extensively investigated. However, the application of these lasers is limited by their low output power and large beam divergence. Therefore, laser amplifiers are needed to achieve practically applicable laser intensity and controllable lasing modes for far-field applications. In this work, we report self-injection-locked laser amplifiers using the combination of a DFB microcavity and a Bragg reflector, where a high-reflection mirror acts as the Bragg reflector and its feedback supplies the external-cavity injection. The coherent coupling between the DFB microcavity and the Bragg amplifier is crucial for achieving high conversion efficiency and high-contrast transverse modes. An amplification factor larger than 20 and a single output laser spot with high contrast that has been achieved. Such an integration design of the self-injected DFB microcavity amplifier can be directly utilized in the realization of high-performance thin-film laser sources for practical applications.
RESUMO
A reliable strategy for improving the stability and shelf life of protein-stabilized systems is by covalently attaching the protein onto a polysaccharide. In this study, ovalbumin (OVA) was modified with dextran (DEX) of different molecular weights by the Maillard reaction, and was used to enhance the stability of emulsions loaded with resveratrol. The surface hydrophobicity, thermal stability, and FT-IR spectroscopy of the OVA-DEX conjugates were evaluated. The results showed that the surface hydrophobicity of OVA decreased, while the thermal stability of OVA was significantly improved after DEX covalent modification. The OVA-DEX1k-stabilized emulsion exhibited high encapsulation efficiency of resveratrol, with the value of 89.0%. In addition, OVA-DEX was considerably more effective in droplet stabilization against different environmental stresses (heat, pH, and ionic strength). After 28 days of storage at 25 °C, the OVA-stabilized emulsion showed faster decomposition of resveratrol, whereas the OVA-DEX-conjugate-stabilized emulsion had approximately 73% retention of resveratrol. Moreover, the antioxidant activity of resveratrol-loaded emulsions stabilized by OVA-DEX was higher during storage under different temperatures. These results proved that the OVA-DEX conjugates had the potential to form stable, food-grade emulsion-based delivery systems against environmental stresses, which strongly supports their potential in the field of food and biomedical applications.
RESUMO
The heterogeneity of circulating tumor cells has a significant impact on the diagnosis, treatment, and monitoring of cancer. Research on the subtypes of circulating tumor cells can bring better treatment outcomes for cancer patients. Here, we proposed a microfluidic chip for the magnetic capture of subtypes of circulating tumor cells from the whole blood and phenotypic profiling by stacking laminar flow vertically. Circulating tumor cells were sorted and captured by the three-dimensional regulation of both magnetic fields in the vertical direction and flow fields in the lateral direction. Using EpCAM-magnetic beads, we achieved sorting and sectional capture of target cells in whole blood and analyzed the surface expression levels of the captured cells, confirming the functionality of the microfluidic chip in sorting and capturing subtypes of circulating tumor cells. This microfluidic chip can also aid in the subsequent subtype analysis of other rare cells.
RESUMO
Copper-based bimetallic heterojunction catalysts facilitate the deep electrochemical reduction of CO2 (eCO2RR) to produce high-value-added organic compounds, which hold significant promise. Understanding the influence of copper interactions with other metals on the adsorption strength of various intermediates is crucial as it directly impacts the reaction selectivity. In this review, an overview of the formation mechanism of various catalytic products in eCO2RR is provided and highlight the uniqueness of copper-based catalysts. By considering the different metals' adsorption tendencies toward various reaction intermediates, metals are classified, including copper, into four categories. The significance and advantages of constructing bimetallic heterojunction catalysts are then discussed and delve into the research findings and current development status of different types of copper-based bimetallic heterojunction catalysts. Finally, insights are offered into the design strategies for future high-performance electrocatalysts, aiming to contribute to the development of eCO2RR to multi-carbon fuels with high selectivity.
RESUMO
The band gap is a key parameter in semiconductor materials that is essential for advancing optoelectronic device development. Accurately predicting band gaps of materials at low cost is a significant challenge in materials science. Although many machine learning (ML) models for band gap prediction already exist, they often suffer from low interpretability and lack theoretical support from a physical perspective. In this study, we address these challenges by using a combination of traditional ML algorithms and the 'white-box' sure independence screening and sparsifying operator (SISSO) approach. Specifically, we enhance the interpretability and accuracy of band gap predictions for binary semiconductors by integrating the importance rankings of support vector regression (SVR), random forests (RF), and gradient boosting decision trees (GBDT) with SISSO models. Our model uses only the intrinsic features of the constituent elements and their band gaps calculated using the Perdew-Burke-Ernzerhof method, significantly reducing computational demands. We have applied our model to predict the band gaps of 1208 theoretically stable binary compounds. Importantly, the model highlights the critical role of electronegativity in determining material band gaps. This insight not only enriches our understanding of the physical principles underlying band gap prediction but also underscores the potential of our approach in guiding the synthesis of new and valuable semiconductor materials.
RESUMO
The oral delivery strategy of natural anti-oxidant and anti-inflammatory agents has attracted great attention to improve the effectiveness of ulcerative colitis (UC) treatment. Herein, we developed a novel orally deliverable nanoparticle, carboxymethyl chitosan (CMC)-modified astaxanthin (AXT)-loaded nanoparticles (CMC-AXT-NPs), for UC treatment. The CMC-AXT-NPs were evaluated by appearance, morphology, particle size, ζ-potential, and encapsulation efficiency (EE). The results showed that CMC-AXT-NPs were nearly spherical in shape with a particle size of 34.5 nm and ζ-potential of -30.8 mV, and the EE of CMC-AXT-NPs was as high as 95.03%. The CMC-AXT-NPs exhibited preferable storage stability over time and well-controlled drug-release properties in simulated intestinal fluid. Additionally, in vitro studies revealed that CMC-AXT-NPs remarkably inhibited cytotoxicity induced by LPS and demonstrated superior antioxidant and anti-inflammatory abilities in Raw264.7 cells. Furthermore, CMC-AXT-NPs effectively alleviated clinical symptoms of colitis induced by dextran sulfate sodium salt (DSS), including maintaining body weight, inhibiting colon shortening, and reducing fecal bleeding. Importantly, CMC-AXT-NPs suppressed the expression of pro-inflammatory cytokines like TNF-α, IL-6, and IL-1ß and ameliorated DSS-induced oxidative damage. Our results demonstrated the potential of CMC-modified nanoparticles as an oral delivery system and suggested these novel AXT nanoparticles could be a promising strategy for UC treatment.