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1.
Appl Opt ; 63(8): 2020-2029, 2024 Mar 10.
Artículo en Inglés | MEDLINE | ID: mdl-38568643

RESUMEN

Due to the inherent tendency to be blocked by obstacles, reliability is a major challenge for visible light communication (VLC). The intelligent reflective surface (IRS) is an effective way to reduce or eliminate the influence of blockage in the VLC system. However, the complexity increases correspondingly due to complex shadow analysis when access points (APs), IRSs, and obstacles coexist. We proposed a robust layout optimization scheme for the IRS-VLC system to resist blockages. First, we model the random obstructions based on spatial geometry methods. Second, we build the optimization problem model considering consistent illumination, achievable data rate (ADR), the positions of the APs, and the directions of the IRS array. In order to achieve this objective, we develop an anti-occlusion method based on the non-dominated sorting genetic algorithm-II (NSGA-II) to get the Pareto front and use enhanced measurement functions (ASFs) to extract the best solution. Simulation results show that the proposed scheme works well in the IRS-VLC system. It is noteworthy that the rectangle layout has always demonstrated superior performance in the IRS-VLC system compared to other traditional layouts.

2.
Appl Opt ; 62(1): 211-216, 2023 Jan 01.
Artículo en Inglés | MEDLINE | ID: mdl-36606867

RESUMEN

In this work, a two-dimensional power allocation scheme combining fractional transmit power allocation (FTPA) and the sine cosine algorithm (SCA) is proposed for non-orthogonal multiple access (NOMA)-based underwater visible light communication (UVLC) systems. Considering the proposed power allocation scheme, a downlink NOMA-based UVLC system using blue-light-emitting diodes in the deep-sea environment is set up to evaluate the influence of the FTPA coefficient and SCA on system communication performance. The simulation results demonstrate that the two-dimensional power allocation scheme can effectively reduce the impact of user pairing on system performance and improve the system transmission rate compared with the conventional power allocation scheme.

3.
Bull Environ Contam Toxicol ; 110(6): 103, 2023 Jun 07.
Artículo en Inglés | MEDLINE | ID: mdl-37284960

RESUMEN

Hydrophyte debris decomposition may contribute to phosphorus (P) release from the sediments in riverine systems, but the transport and transformation of organic phosphorus during this process has not been studied well. Here, a ubiquitous hydrophyte in southern China (Alternanthera philoxeroides, A. philoxeroides) was selected to identify the processes and mechanisms of sedimentary P release in late autumn or early spring by laboratory incubation. The results showed that the physio-chemical interactions changed quickly during the beginning of the incubation, where the redox potential and dissolved oxygen at the water-sediment interface decreased rapidly, reaching reducing (299 mV) and anoxic (0.23 mg∙L-1) conditions, respectively. Soluble reactive P, dissolved total P and total P concentrations in overlying water all increased with time from 0.011, 0.025 and 0.169 mg∙L-1 to 0.100, 0.100 and 0.342 mg∙L-1 on average, respectively. Furthermore, the decomposition of A. philoxeroides induced sedimentary organic P release to overlying water, including phosphate monoester (Mono-P), and orthophosphate diesters (Diesters-P). The proportions of Mono-P and Diesters-P were higher at 3 to 9 days than at 11 to 34 days, being 29.4% and 23.3 for Mono-P, 6.3% and 5.7% for Diesters-P, respectively. Orthophosphate (Ortho-P) increased from 63.6 to 69.7% during these timeframes, which indicated the transformations of both Mono-P and Diester-P to bio-available orthophosphate (Ortho-P), causing the rising P concentration in the overlying water. Our results revealed that hydrophyte debris decomposition in river systems might lead to autochthonous P contribution even without external P import from the watershed, accelerating the trophic state of receiving waterbodies.


Asunto(s)
Fósforo , Contaminantes Químicos del Agua , Fósforo/análisis , Ríos/química , Contaminantes Químicos del Agua/análisis , Sedimentos Geológicos/química , Fosfatos/análisis , Agua , China , Lagos/química
4.
Mod Pathol ; 35(3): 403-411, 2022 03.
Artículo en Inglés | MEDLINE | ID: mdl-34518630

RESUMEN

Standardized programmed death-ligand 1 (PD-L1) assessment in non-small cell lung cancer (NSCLC) is challenging, owing to inter-observer variability among pathologists and the use of different antibodies. There is a strong demand for the development of an artificial intelligence (AI) system to obtain high-precision scores of PD-L1 expression in clinical diagnostic scenarios. We developed an AI system using whole slide images (WSIs) of the 22c3 assay to automatically assess the tumor proportion score (TPS) of PD-L1 expression based on a deep learning (DL) model of tumor detection. Tests were performed to show the diagnostic ability of the AI system in the 22c3 assay to assist pathologists and the reliability of the application in the SP263 assay. A robust high-performance DL model for automated tumor detection was devised with an accuracy and specificity of 0.9326 and 0.9641, respectively, and a concrete TPS value was obtained after tumor cell segmentation. The TPS comparison test in the 22c3 assay showed strong consistency between the TPS calculated with the AI system and trained pathologists (R = 0.9429-0.9458). AI-assisted diagnosis test confirmed that the repeatability and efficiency of untrained pathologists could be improved using the AI system. The Ventana PD-L1 (SP263) assay showed high consistency in TPS calculations between the AI system and pathologists (R = 0.9787). In conclusion, a high-precision AI system is proposed for the automated TPS assessment of PD-L1 expression in the 22c3 and SP263 assays in NSCLC. Our study also indicates the benefits of using an AI-assisted system to improve diagnostic repeatability and efficiency for pathologists.


Asunto(s)
Carcinoma de Pulmón de Células no Pequeñas , Neoplasias Pulmonares , Inteligencia Artificial , Antígeno B7-H1/metabolismo , Biomarcadores de Tumor , Carcinoma de Pulmón de Células no Pequeñas/patología , Humanos , Inmunohistoquímica , Neoplasias Pulmonares/patología , Reproducibilidad de los Resultados
5.
J Chem Phys ; 157(1): 014504, 2022 Jul 07.
Artículo en Inglés | MEDLINE | ID: mdl-35803825

RESUMEN

Molecular dynamics (MD) simulations were performed to determine the three-phase coexistence line of sI methane hydrates. The MD simulations were carried out at four different pressures (4, 10, 40, and 100 MPa) by using the direct phase coexistence method. In current simulations, water was described by either TIP4P/Ice or "optimal" point charge (OPC) models and methane was described as a simple Lennard-Jones interaction site. Lorentz-Berthelot (LB) combining rules were used to calculate the parameters of the cross interactions. For the OPC model, positive deviations from the energetic LB rule were also considered based on the solubility of methane in water. For the TIP4P/Ice water model, the obtained three phase coexistence temperatures showed good agreement with experiment data at higher pressures, which is consistent with previous predictions. For the OPC water model, simulations using the classic and the modified LB parameters both showed negative deviations to the experimental values. Our results also indicated that the deviation of the T3 prediction by the OPC model was not closely correlated with the predicted melting point of ice. At 4 MPa, the modified OPC model showed a better prediction of hydrate equilibrium temperature, even better than the prediction by TIP4P/Ice. Considering the relatively higher accuracy in biomolecular MD of the OPC model, it is suggested that this model may have a better performance in hydrate MD simulations of biomolecule-based additives.


Asunto(s)
Metano , Agua , Simulación de Dinámica Molecular , Presión , Temperatura
6.
Pestic Biochem Physiol ; 147: 83-89, 2018 May.
Artículo en Inglés | MEDLINE | ID: mdl-29933997

RESUMEN

SYP-14288 is a novel fungicide developed by the Shenyang Research Institute of Chemical Industry in China. Although preliminary studies indicate that SYP-14288 is highly effective against 32 important plant pathogens belonging to a range of taxonomic groups, its mode of action remains unknown. In this study, we documented that SYP-14288 has excellent activity against all of the asexual life stages of the plant-pathogenic oomycete Phytophthora capsici, and is especially effective in blocking cyst germination and other life stages that require high energy consumption. In assays designed to determine the fungicide's mode of action, addition of ATP reduced SYP-14288 inhibition of P. capsici, which suggested that SYP-14288 inhibits ATP synthesis of the pathogen. This inference was confirmed in that treatment with SYP-14288 sharply reduced the ATP content in P. capsici. The respiration rate of P. capsici was positively correlated with the concentration of SYP-14288 or of the fungicide fluazinam (an uncoupler of oxidative phosphorylation), but increases in respiration were greater with SYP-14288 than with fluazinam. These results indicate that SYP-14288 is a promising fungicide that functions as an uncoupler of oxidative phosphorylation.


Asunto(s)
Fungicidas Industriales/farmacología , Fosforilación Oxidativa/efectos de los fármacos , Phytophthora/efectos de los fármacos , Desacopladores/farmacología , Adenosina Trifosfato/biosíntesis , Adenosina Trifosfato/farmacología , Capsicum/microbiología , Mitocondrias/efectos de los fármacos , Mitocondrias/metabolismo , Phytophthora/crecimiento & desarrollo , Phytophthora/metabolismo , Reproducción Asexuada/efectos de los fármacos
7.
Pestic Biochem Physiol ; 143: 246-251, 2017 Nov.
Artículo en Inglés | MEDLINE | ID: mdl-29183599

RESUMEN

A series of novel quaternary ammonium salt derivatives were designed and synthesized by introducing the herbicide carboxylic acid into substituted aminoacetanilide compounds which derived from herbicides alachlor or acetochlor, using the intermediate derivatization methods in an attempt to obtain novel candidates for weed control. The herbicidal activity assays in greenhouse demonstrated that some of the title compounds exhibited good herbicidal activities against velvet leaf, youth-and-old age, barnyard grass, and foxtail. Especially, III9 gave the best activity (EC50 (ga.i/ha): YOA 34.1, VEL 33.6, FOX 15.9, BYG 36.2). The field trials indicated that III9 had better herbicidal activity than the commercial herbicide imazethapyr to control broadleaf weeds at 150ga.i/ha. The present work demonstrated that the quaternary ammonium salt derivatives can be used as potential lead compounds for discovering novel herbicides with improved activity. III9 itself is worthy of being further developed as an herbicidal candidate. Further syntheses, structure optimization studies, and field trials around III9 are in progress.


Asunto(s)
Compuestos de Amonio/toxicidad , Herbicidas/toxicidad , Magnoliopsida/efectos de los fármacos , Malezas/efectos de los fármacos
8.
Pestic Biochem Physiol ; 142: 155-160, 2017 Oct.
Artículo en Inglés | MEDLINE | ID: mdl-29107240

RESUMEN

Benzoylcyclohexanedione herbicides work by inhibiting 4-hydroxyphenylpyruvate dioxygenase which was the last new target site introduced for herbicides. In an attempt to find new 4-hydroxyphenylpyruvate dioxygenase inhibitors with high efficacy and selectivity, a novel benzoylcyclohexanedione compound SYP-9121 was synthesized and studied in greenhouse and field. In the greenhouse, SYP-9121 showed broad spectrum herbicidal activity and good safety to maize. Its control of barnyard grass, crabgrass, redroot pigweed, purslane, dayflower and night shade was equivalent to that of the commercial herbicide mesotrione. Three field trials in summer maize showed that SYP-9121 could efficiently control both grass and broadleaf weeds with good selectivity. Herbicidal activity of SYP-9121 was comparable to that of mesotrione.


Asunto(s)
Herbicidas/síntesis química , Herbicidas/farmacología , 4-Hidroxifenilpiruvato Dioxigenasa/antagonistas & inhibidores , 4-Hidroxifenilpiruvato Dioxigenasa/metabolismo , Inhibidores Enzimáticos/química , Inhibidores Enzimáticos/farmacología , Herbicidas/química , Estructura Molecular , Proteínas de Plantas/antagonistas & inhibidores , Proteínas de Plantas/metabolismo , Malezas/efectos de los fármacos , Malezas/enzimología , Malezas/crecimiento & desarrollo , Relación Estructura-Actividad , Zea mays/efectos de los fármacos , Zea mays/enzimología , Zea mays/crecimiento & desarrollo
9.
Bioorg Med Chem ; 24(3): 383-90, 2016 Feb 01.
Artículo en Inglés | MEDLINE | ID: mdl-26432606

RESUMEN

Plutella xylostella (P. xylostella) is a highly migratory, cosmopolitan species and one of the most important pest of cruciferous crops worldwide. Pyridalyl as a novel class of insecticides has good efficacy against P. xylostella. On the basis of the commercial insecticide pyridalyl, a series of new aryloxy dihalopropene derivatives were designed and synthesized by using Intermediate Derivatization Methods. Their chemical structures were confirmed by (1)H NMR, high-resolution mass spectrum (HRMS), and single-crystal X-ray diffraction analysis. The insecticidal activities of the new compounds against P. xylostella were evaluated. The results of bioassays indicated that most of the compounds showed moderate to high activities at the tested concentration, especially compounds 10e and 10g displayed more than 75% insecticidal activity against P. xylostella at 6.25mg/L, while pyridalyl showed 50% insecticidal activity at the same concentration. The field trials result of the insecticidal activities showed that compound 10e as a 10% emulsifiable concentrate (EC) was effective in the control of P. xylostella at 75-150g a.i./ha, and the mortality of P. xylostella for treatment with compound 10e at 75g a.i./ha was equivalent to pyridalyl at 105g a.i./ha.


Asunto(s)
Compuestos Alílicos/farmacología , Diseño de Fármacos , Insecticidas/síntesis química , Insecticidas/farmacología , Mariposas Nocturnas/efectos de los fármacos , Piridinas/farmacología , Compuestos Alílicos/síntesis química , Compuestos Alílicos/química , Animales , Relación Dosis-Respuesta a Droga , Insecticidas/química , Estructura Molecular , Piridinas/síntesis química , Piridinas/química , Relación Estructura-Actividad
10.
Bioorg Med Chem ; 24(3): 453-61, 2016 Feb 01.
Artículo en Inglés | MEDLINE | ID: mdl-26432603

RESUMEN

Diphenylamine derivatives have been reported with good fungicidal, insecticidal, acaricidal, rodenticidal and/or herbicidal activities. To find new lead compound of this kind, a series of novel diphenylamine derivatives were designed and synthesized by the approach of Intermediate Derivatization Methods. All compounds were identified by (1)H NMR and elemental analysis. Bioassays demonstrated that some compounds substituted at 2,4,6-positions or 2,4,5-positions of phenyl ring B exhibited excellent fungicidal activities. The optimal compounds P30 and P33 showed 80% and 85% control respectively against cucumber downy mildew at 12.5mgL(-1), both 100% control against rice blast at 0.3mgL(-1) and both 100% control against cucumber gray mold at 0.9mgL(-1). The relationship between structure and fungicidal activities was discussed as well.


Asunto(s)
Difenilamina/química , Difenilamina/farmacología , Diseño de Fármacos , Hongos/efectos de los fármacos , Fungicidas Industriales/química , Fungicidas Industriales/farmacología , Enfermedades de las Plantas/prevención & control , Cucumis sativus/microbiología , Difenilamina/síntesis química , Relación Dosis-Respuesta a Droga , Fungicidas Industriales/síntesis química , Pruebas de Sensibilidad Microbiana , Estructura Molecular , Oryza/microbiología , Enfermedades de las Plantas/microbiología , Relación Estructura-Actividad
11.
Bioorg Med Chem ; 24(3): 428-34, 2016 Feb 01.
Artículo en Inglés | MEDLINE | ID: mdl-26385445

RESUMEN

In an attempt to obtain novel candidate compound for weed control, a series of newly substituted 3-(pyridin-2-yl)benzenesulfonamide derivatives 2 were designed and synthesized using compound II7 as a lead compound by Intermediate Derivatization Methods and their herbicidal activities were evaluated. The herbicidal activity assay in greenhouse tests showed several compounds (2g, 2i, 2j, 2k, 2l, 2m, 2n and 2o) exhibited significant herbicidal activity for controlling velvet leaf (Abutilon theophrasti medic.) and youth-and-old age (Zinnia elegans jacq.) at 37.5ga.i./ha. In particular, 2h was found to be the most potential candidate herbicide and was proved higher activity than the lead compound II7. The result of the weed controlling spectrum test showed that 2h could effectively control dayflower (Commelina tuberosa), bur beggarticks (Bidens tripartita linn.), youth-and-old age, cassia tora (Cassiaobtusifolia L.), velvet leaf, purslane (Portulaca oleracea) and false daisy (Eclipta prostrata L.). In addition, the mixture of compound 2h and propanil could produce a synergistic effect and enhance herbicidal activity. The result of the herbicidal activity assay in field test demonstrated that 2h could effectively control dayflower and nightshade (Disambiguation) with long-lasting persistence. The present work indicates that 2h may be a novel compound candidate as a potential herbicide.


Asunto(s)
Glicina/análogos & derivados , Herbicidas/farmacología , Plantas/efectos de los fármacos , Sulfonamidas/farmacología , Relación Dosis-Respuesta a Droga , Glicina/síntesis química , Glicina/química , Glicina/farmacología , Herbicidas/síntesis química , Herbicidas/química , Estructura Molecular , Relación Estructura-Actividad , Sulfonamidas/síntesis química , Sulfonamidas/química
12.
Bioorg Med Chem ; 24(3): 342-53, 2016 Feb 01.
Artículo en Inglés | MEDLINE | ID: mdl-26481150

RESUMEN

Pyridine-based compounds have been playing a crucial role as agrochemicals or pesticides including fungicides, insecticides/acaricides and herbicides, etc. Since most of the agrochemicals listed in the Pesticide Manual were discovered through screening programs that relied on trial-and-error testing and new agrochemical discovery is not benefiting as much from the in silico new chemical compound identification/discovery techniques used in pharmaceutical research, it has become more important to find new methods to enhance the efficiency of discovering novel lead compounds in the agrochemical field to shorten the time of research phases in order to meet changing market requirements. In this review, we selected 18 representative known agrochemicals containing a pyridine moiety and extrapolate their discovery from the perspective of Intermediate Derivatization Methods in the hope that this approach will have greater appeal to researchers engaged in the discovery of agrochemicals and/or pharmaceuticals.


Asunto(s)
Agroquímicos/síntesis química , Descubrimiento de Drogas , Piridinas/síntesis química , Agroquímicos/química , Estructura Molecular , Piridinas/química
13.
Phys Chem Chem Phys ; 18(4): 3272-9, 2016 Jan 28.
Artículo en Inglés | MEDLINE | ID: mdl-26745181

RESUMEN

Natural gas hydrates are inclusion compounds composed of major light hydrocarbon gaseous molecules (CH4, C2H6, and C3H8) and a water clathrate framework. Understanding the phase stability and formation conditions of natural gas hydrates is crucial for their future exploitation and applications and requires an accurate description of intermolecular interactions. Previous ab initio calculations on gas hydrates were mainly limited by the cluster models, whereas the phase diagram and equilibrium conditions of hydrate formation were usually investigated using the thermodynamic models or empirical molecular simulations. For the first time, we construct the chemical potential phase diagrams of type II clathrate hydrates encapsulated with methane/ethane/propane guest molecules using first-principles thermodynamics. We find that the partially occupied structures (136H2O·1CH4, 136H2O·16CH4, 136H2O·20CH4, 136H2O·1C2H6, and 136H2O·1C3H8) and fully occupied structures (136H2O·24CH4, 136H2O·8C2H6, and 136H2O·8C3H8) are thermodynamically favorable under given pressure-temperature (p-T) conditions. The theoretically predicted equilibrium pressures for pure CH4, C2H6 and C3H8 hydrates at the phase transition point are consistent with the experimental data. These results provide valuable guidance for establishing the relationship between the accurate description of intermolecular noncovalent interactions and the p-T equilibrium conditions of clathrate hydrates and other molecular crystals.

14.
Guang Pu Xue Yu Guang Pu Fen Xi ; 35(3): 649-56, 2015 Mar.
Artículo en Inglés | MEDLINE | ID: mdl-26117873

RESUMEN

Marine sediment pore water is one of the important objects in the study of global environmental change, marine geology and biogeochemistry. Anoxic pore water in highly reducing deep-sea sediments commonly contains a large amount of dissolved sulfide (H2S and HS-). The sulfide species within sediment pore water are significant not only because the importance of themselves, but also because they exist as a function of pH which is another key parameter in pore water study. As degassing and chemical equilibrium altering are both inevitable, concentrations of sulfide species and pH value of marine sediment pore water acquired with traditional non-in situ technologies are of great uncertainty, and cannot represent the real geochemistry information. However, the recent deployment of an in situ laser Raman pore water sampler allows us to observe spectral sulfide signals of marine sediments in situ and in real time, which provide us a new technique to solve this problem. Sulfide species in water have a relatively strong Raman signal, which often appears in the form of a characteristic overlapping peak between 2 550 - 2 620 cm(-1) and can be decomposed into HS- at 2 572 cm(-1) and H2S at 2 592 cm(-1). In the present paper, quantitative analysis of H2S and HS- with Raman spectroscopy is proved practicable and the accuracy is good. The pH of pore water is an important influencing factor of the diagenetic processes. As H2S and HS- are conjugate acid-base pairs, sulfide species within pore water exist as a function of pH and their concentration ratio depend on pH. This relationship is also shown in the Raman spectrum. To formulate the pore water pH calculation, sulfide solutions with pH range from 6.11 to 13.05 were prepared and their Raman spectra were observed. It is verified that the morphology of overlapping peaks change regularly with pH values. This phenomenon provides us the possibility of measuring the pH of pore water in situ via Raman spectroscopy. Based on peaks decomposition and correlativity analysis, we propose here a novel in situ pH measuring method for sediment pore water containing sulfide. This method can be used to measure the pH of pore water when the overlapping peak of sulfide is resolvable. The application scope of this pH measuring method in this study is 6.11 - 8.32, which covers almost all pH value of marine sediment pore water already known. The study provides additional technical reference for obtaining high-fidelity information of marine sediment pore water.

15.
J Phys Chem A ; 118(1): 215-22, 2014 Jan 09.
Artículo en Inglés | MEDLINE | ID: mdl-24320601

RESUMEN

Using first-principle calculations at B97-D/6-311++G(2d,2p) level, we systematically explore the gas capacity of five standard water cavities (5(12), 4(3)5(6)6(3), 5(12)6(2), 5(12)6(4), and 5(12)6(8)) in clathrate hydrate and study the inclusion complexes to infer general trends in vibrational frequencies of guest molecules as a function of cage size and number of guest molecules. In addition, the Raman spectra of hydrates from CO2/CH4 gases are simulated. From our calculations, the maximum cage occupancy of the five considered cages (5(12), 4(3)5(6)6(3), 5(12)6(2), 5(12)6(4), and 5(12)6(8)) is one, one, two, three, and seven for both CH4 and CO2 guest molecules, respectively. Meanwhile, the optimum cage occupancy are one, one, one, two, and four for CO2 molecules and one, one, two, three, and five for CH4 molecules, respectively. Both the C-H stretching frequency of CH4 and the C-O stretching frequency of CO2 gradually decrease as size of the water cages increases. Meanwhile, the C-H stretching frequency gradually increases as the amount of CH4 molecules in the water cavity (e.g., 5(12)6(8)) increases.

16.
J Colloid Interface Sci ; 665: 188-203, 2024 Jul.
Artículo en Inglés | MEDLINE | ID: mdl-38522159

RESUMEN

Anti-tumor therapies reliant on reactive oxygen species (ROS) as primary therapeutic agents face challenges due to a limited oxygen substrate. Photodynamic therapy (PDT) is particularly hindered by inherent hypoxia, while chemodynamic therapy (CDT) encounters obstacles from insufficient endogenous hydrogen peroxide (H2O2) levels. In this study, we engineered biodegradable tumor microenvironment (TME)-activated hollow mesoporous MnO2-based nanotheranostic agents, designated as HAMnO2A. This construct entails loading artemisinin (ART) into the cavity and surface modification with a mussel-inspired polymer ligand, namely hyaluronic acid-linked poly(ethylene glycol)-diethylenetriamine-conjugated (3,4-dihydroxyphenyl) acetic acid, and the photosensitizer Chlorin e6 (mPEG-HA-Dien-(Dhpa/Ce6)), facilitating dual-modal imaging-guided PDT/CDT synergistic therapy. In vitro experimentation revealed that HAMnO2A exhibited ideal physiological stability and enhanced cellular uptake capability via CD44-mediated endocytosis. Additionally, it was demonstrated that accelerated endo-lysosomal escape through the pH-dependent protonation of Dien. Within the acidic and highly glutathione (GSH)-rich TME, the active component of HAMnO2A, MnO2, underwent decomposition, liberating oxygen and releasing both Mn2+ and ART. This process alleviates hypoxia within the tumor region and initiates a Fenton-like reaction through the combination of ART and Mn2+, thereby enhancing the effectiveness of PDT and CDT by generating increased singlet oxygen (1O2) and hydroxyl radicals (•OH). Moreover, the presence of Mn2+ ions enabled the activation of T1-weighted magnetic resonance imaging. In vivo findings further validated that HAMnO2A displayed meaningful tumor-targeting capabilities, prolonged circulation time in the bloodstream, and outstanding efficacy in restraining tumor growth while inducing minimal damage to normal tissues. Hence, this nanoplatform serves as an efficient all-in-one solution by facilitating the integration of multiple functions, ultimately enhancing the effectiveness of tumor theranostics.


Asunto(s)
Nanopartículas , Neoplasias , Fotoquimioterapia , Humanos , Fotoquimioterapia/métodos , Compuestos de Manganeso/farmacología , Compuestos de Manganeso/química , Microambiente Tumoral , Nanomedicina Teranóstica/métodos , Peróxido de Hidrógeno/química , Óxidos/química , Fármacos Fotosensibilizantes/química , Neoplasias/tratamiento farmacológico , Oxígeno , Hipoxia/tratamiento farmacológico , Línea Celular Tumoral , Nanopartículas/química
17.
Bioorg Med Chem Lett ; 23(12): 3505-10, 2013 Jun 15.
Artículo en Inglés | MEDLINE | ID: mdl-23664877

RESUMEN

A series of new strobilurin-pyrimidine analogs were designed and synthesized based on the structures of our previously discovered antiproliferative compounds I and II. Biological evaluation with two human cancer cell lines (A549 and HL60) showed that most of these compounds possessed moderate to potent antiproliferative activity. Two potent candidates (8f, IC50=2.2 nM and 11d, IC50=3.4 nM) were identified with nanomolar activity against leukemia cancer cell line HL60 for further development. This activity represents a 1000- to 2500-fold improvement compared to the parent compounds I and II and is 20- to 30-fold better than the chemotherapy drug, doxorubicin. The present work provides strong incentive for further development of these strobilurin-pyrimidine analogs as potential antitumor agents for the treatment of leukemia.


Asunto(s)
Ácidos Grasos Insaturados/síntesis química , Ácidos Grasos Insaturados/farmacología , Leucemia/tratamiento farmacológico , Neoplasias Pulmonares/tratamiento farmacológico , Pirimidinas/síntesis química , Pirimidinas/farmacología , Línea Celular Tumoral , Proliferación Celular/efectos de los fármacos , Ensayos de Selección de Medicamentos Antitumorales , Ácidos Grasos Insaturados/química , Células HL-60 , Humanos , Leucemia/patología , Neoplasias Pulmonares/patología , Metacrilatos/síntesis química , Metacrilatos/química , Metacrilatos/farmacología , Pirimidinas/química , Relación Estructura-Actividad
18.
Front Bioeng Biotechnol ; 11: 1303709, 2023.
Artículo en Inglés | MEDLINE | ID: mdl-38076425

RESUMEN

Wound healing is a complex and coordinated biological process easily influenced by various internal and external factors. Hydrogels have immense practical importance in wound nursing because of their environmental moisturising, pain-relieving, and cooling effects. As photo-crosslinkable biomaterials, gelatine methacryloyl (GelMA) hydrogels exhibit substantial potential for tissue repair and reconstruction because of their tunable and beneficial properties. GelMA hydrogels have been extensively investigated as scaffolds for cell growth and drug release in various biomedical applications. They also hold great significance in wound healing because of their similarity to the components of the extracellular matrix of the skin and their favourable physicochemical properties. These hydrogels can promote wound healing and tissue remodelling by reducing inflammation, facilitating vascularisation, and supporting cell growth. In this study, we reviewed the applications of GelMA hydrogels in wound healing, including skin tissue engineering, wound dressing, and transdermal drug delivery. We aim to inspire further exploration of their potential for wound healing.

19.
Polymers (Basel) ; 15(3)2023 Jan 18.
Artículo en Inglés | MEDLINE | ID: mdl-36771810

RESUMEN

The novel thermosensitive star-shaped tetra-hydroxy-phenylporphyrin-cored (THPP) double hydrophilic poly(N-isopropylacrylamide)-b-poly(methylacrylamide glucose) block copolymers (THPP-(PNIPAM-b-PMAGA)4) were synthesized via the reversible addition-fragmentation chain transfer (RAFT) polymerization. Notably, the low critical solution temperatures (LCSTs) of THPP-(PNIPAM-b-PMAGA)4 were above normal body temperature (37 °C) which depended on the hydrophilic PMAGA contents of copolymers. When the temperature was higher than the LCST of the copolymer, the copolymer could be neutralized into micelles in aqueous and could be coated with antitumor drugs and released around tumor cells. The MTT study indicated that THPP-(PNIPAM-b-PMAGA)4 had a low toxicity to L929 and HeLa cells in the absence of light. However, THPP-(PNIPAM-b-PMAGA)4 showed a high toxicity with HeLa cells under light irradiation which could be used as a potential photosensitizer for photodynamic therapy (PDT). In addition, THPP-(PNIPAM-b-PMAGA)4 showed specific a recognition function with Concanavalin A (Con A) to achieve active targeted drug delivery. This work provides a new approach for the development of tumor targeting and chemotherapy/PDT.

20.
ACS Appl Mater Interfaces ; 15(30): 36013-36024, 2023 Aug 02.
Artículo en Inglés | MEDLINE | ID: mdl-37478563

RESUMEN

Tumor phototheranostics is usually compromised by the hypoxic tumor microenvironment and poor theranostic efficiency. The interplay between organic polymers and inorganic nanoparticles in novel nanocomposites has proven to be advantageous, overcoming previous limitations and harnessing their full potential through activation via the tumor microenvironment. This study successfully fabricated hypoxia-activated nanocolloids called HOISNDs through a process of self-assembly involving superparamagnetic iron oxide nanoparticles (SPIONs) and an organic polymer ligand called tetrakis(4-carboxyphenyl) porphyrin (TCPP)-engineered organic polymer ligand [methoxy poly(ethyleneglycol)-block-poly(dopamine-ethylenediamine-conjugated-4-nitrobenzyl chloroformate)-l-glutamate, mPEG-b-P(Dopa-EDA-co-NBCF)LG-TCPP)]. The SPIONs act as an oxygen generator to overcome the challenges posed by hypoxic tumors and enable the use of hypoxic-activatable MR/fluorescence dual-modal imaging-guided photodynamic therapy (PDT). The colloid stability of these HOISNDs proved to be exceptional in diverse biomimetic environments. Furthermore, they not only augment T2-weighted contrast capability as an MRI contrast agent but also function as an oxygen-producing device to amplify the generation and release of reactive oxygen species (ROS). The HOISNDs can significantly target to tumor sites through the enhanced permeability and retention (EPR) effect with prolonged blood circulation time and subsequently are effectively endocytosed into a hypoxic intracellular environment that "turn on" the imaging function and photodynamic activity. Moreover, HOISNDs possess the ability to effectively decompose naturally occurring H2O2 into oxygen (O2) within the tumor utilizing the Fenton reaction. This method can mitigate the impact of hypoxia on oxygen-dependent PDT. The outcomes of in vivo diagnostic and therapeutic evaluations indicated that HOISNDs are a highly promising tool for dual-model imaging-guided cancer theranosis by ameliorating hypoxic conditions and augmenting PDT efficiency.


Asunto(s)
Nanopartículas , Neoplasias , Fotoquimioterapia , Humanos , Oxígeno , Fotoquimioterapia/métodos , Peróxido de Hidrógeno , Ligandos , Nanopartículas/uso terapéutico , Neoplasias/diagnóstico por imagen , Neoplasias/tratamiento farmacológico , Polímeros , Imagen por Resonancia Magnética , Hipoxia , Fármacos Fotosensibilizantes/farmacología , Fármacos Fotosensibilizantes/uso terapéutico , Línea Celular Tumoral , Microambiente Tumoral
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