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1.
Cytokine ; 125: 154801, 2020 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-31442680

RESUMO

BACKGROUND: HIV rapid progressors (RPs) present with a rapid decline of CD4+ T cells within a few years of infection. Determining the underlying mechanisms throughout this decline is important to identify prognostic biomarkers and intervention strategies. Determining the numbers of CD4+ and CD8+ T cells is essential for monitoring the immune status of HIV infected patients. There are additional kinds of cell subtypes in T cells, but their relationship to the rapid progression of HIV disease is not well defined. METHODS: Nineteen RPs and twenty-one chronic progressors (CPs) were enrolled in this study. Based on the intensity of CD4 and CD8 expression, different T cell subtypes were identified, including CD4+CD8+T cells, CD4-CD8- T cells, CD4+CD8low T cells and CD4-CD8low T cells. Alterations in these T cell subtypes in early HIV infection (within 120 days of infection) between RPs and CPs were measured, and the relationships between these subtypes and HIV disease progression were investigated. In addition, expression of IFN-γ in T cell subtypes after PMA stimulation was analyzed by flow cytometry. RESULTS: We found that during early HIV infection, CD4+CD8low T cells both significantly decreased in numbers and percentages in RPs compared to CPs. Furthermore, baseline CD4+CD8low T cells positively correlated not only with baseline CD4+T cells but also with CD4+T cells 12 months after infection. Moreover, survival analysis indicated that low levels of baseline CD4+CD8low T cells significantly accelerated the decline in CD4+ T cells as well as increased viral loads. CD4+CD8low T cells secreted significantly more IFN-γ after PMA stimulation compared to CD4+CD8-T cells and CD4-CD8+T cells, which may be beneficial for the prevention of disease progression. CONCLUSIONS: Our results identified that in early stage HIV-1 infection, a subtype of T cells, CD4+CD8low, are associated with subsequent disease progression.

2.
J Colloid Interface Sci ; 559: 65-75, 2020 Feb 01.
Artigo em Inglês | MEDLINE | ID: mdl-31610306

RESUMO

Electroactive nanofibrous scaffold is a vital tool for the study of the various biological research fields from bioelectronics to regenerative medicine, which can provide cell preferable 3D nanofiber architecture and programmed electrical signal. However, intrinsic non-biodegradability is a major problem that hinders its widespread application in the clinic. Herein, we designed, synthesized, and characterized shell/core poly (3,4-ethylenedioxythiophene) (PEDOT)/chitosan (CS) nanofibers by combining the electrospinning and recrystallization processes. Upon incorporating a trace amount of PEDOT (1.0 wt%), the resultant PEDOT/CS nanofibers exhibited low interfacial charge transfer impedance, high electrochemical stability, high electrical conductivity (up to 0.1945 S/cm), and ultrasensitive piezoelectric property (output voltage of 22.5 mV by a human hair prodding). With such unique electrical and conductive properties, PEDOT/CS nanofibers were further applied to brain neuroglioma cells (BNCs) to stimulate their adhesion, proliferation, growth, and development under an optimal external electrical stimulation (ES) and a pulse voltage of 400 mV/cm. ES-responsive PEDOT/CS nanofibers indeed promoted BNCs growth and development as indicated by a large number and density of axons. The synergetic interplay between external ES and piezoelectric voltage demonstrates new PEDOT-based nanofibers as implantable electroactive scaffolds for numerous applications in nerve tissue engineering, human health monitoring, brain mantle information extraction, and degradable microelectronic devices.

3.
Opt Express ; 27(21): 30864-30874, 2019 Oct 14.
Artigo em Inglês | MEDLINE | ID: mdl-31684329

RESUMO

Pixelated color converters are envisioned to achieve full-color high-resolution display through down conversion of blue/ultraviolet(UV) micro-LEDs. Quantum dots (QDs) are promising narrow-band converters of high quantum efficiency and brightness enabling saturated colors with wide color gamut in displays. Here we demonstrate high-resolution pixelated red and green QDs/thiol-ene photo-polymer converters (single pixel down to 6 µm; converters array of 21 µm pixel, 30 µm pitch and sub 10 µm thickness) patterned through projection lithography. QDs capped with amine surface group are uniformly dispersed in thiol-ene photo-polymer matrix at high concentrations (up to 100 mg/mL), which reduces aggregation and improves conversion efficiency by 0.5-1 times compared to drop-cast QDs. Color cross-talk is also reduced through patterning light blocking walls between converter pixels.

4.
Artigo em Inglês | MEDLINE | ID: mdl-31725173

RESUMO

Phosphorus-rich metal phosphides have very high lithium storage capacities, while they are difficult to prepare. In this work, a low-temperature posphorization method based on Mg reducing PCl3 in ZnCl2 molten salt at 300 ºC is developed to synthesize phosphorus-rich CuP2@C from a Cu-MOF derived Cu@C composite. Abnormal oxidation of Cu by Zn2+ in the molten salt is observed, which leads to the porous honeycomb nanostructure and homogeneously distributed ultrafine CuP2 nanocrystals. The honeycomb CuP2@C exhibits excellent lithium storage performance with high reversible capacity (1146 mAh g-1 at 0.2 A g-1) and superior cycling stability (720 mAh g-1 after 600 cycles at 1.0 A g-1), showing the promising application of P-rich metal phosphides in lithium ion batteries.

5.
Int J Mol Sci ; 20(21)2019 Nov 05.
Artigo em Inglês | MEDLINE | ID: mdl-31694312

RESUMO

Cytoplasmic male sterility (CMS) is a maternally inherited trait used for hybrid production in plants, a novel kenaf CMS line 722HA was derived from the thermo-sensitive male-sterile mutant 'HMS' by recurrent backcrossing with 722HB. The line 722HA has great potential for hybrid breeding in kenaf. However, the underlying molecular mechanism that controls pollen abortion in 722HA remains unclear, thus limiting the full utilization of this line. To understand the possible mechanism governing pollen abortion in 722HA, cytological, transcriptomic, and biochemical analyses were carried out to compare the CMS line 722HA and its maintainer line 722HB. Cytological observations of the microspore development revealed premature degradation of the tapetum at the mononuclear stage, which resulted in pollen dysfunction. The k-means clustering analysis of differentially expressed genes (DEGs) revealed that these genes are related to processes associated with the accumulation of reactive oxygen species (ROS), including electron transport chain, F1F0-ATPase proton transport, positive regulation of superoxide dismutase (SOD), hydrogen peroxide catabolic, and oxidation-reduction. Biochemical analysis indicated that ROS-scavenging capability was lower in 722HA than in 722HB, resulting in an accumulation of excess ROS, which is consistent with the transcriptome results. Taken together, these results demonstrate that excessive ROS accumulation may affect the normal development of microspores. Our study provides new insight into the molecular mechanism of pollen abortion in 722HA and will promote further studies of kenaf hybrids.

6.
J Hazard Mater ; : 121506, 2019 Oct 24.
Artigo em Inglês | MEDLINE | ID: mdl-31699487

RESUMO

Congo red (CR) is a typical and widely used azo dye in industries. It possesses the serious threat to ecosystem and public for its indiscriminate discharge. Microbial flocculant (MBF) with various functional groups is a potential flocculant applied in dyeing wastewater treatment, and it has the advantages of high treatment efficiency, biodegradability and non-toxicity. In this study, the functional groups, amino group, ammonium group and acyloxy group, were grafted onto MBF to further improve its thermal stability, solubility and performance. Grafting copolymerization occurred at the amino group of MBF was confirmed by XPS. Polyaluminum silicate (PSA) and self-prepared functional microbial flocculant, MBF-g-P(AM-DAC), played different roles in CR wastewater treatment. PSA contributed to charge neutralization, but its yielded flocs were small. On the contrary, MBF-g-P(AM-DAC) possessed weak charge neutralization but big flocs. Its settlement efficiency has significantly improved. The unsaturated active sites on MBF-g-P(AM-DAC) and its flocs contributed to the adsorption of CR in terms of high surface area and adsorption capacity of the flocs. Physical adsorption and chemical adsorption were both discovered in the treatment.

7.
J Biomed Nanotechnol ; 15(12): 2428-2438, 2019 Dec 01.
Artigo em Inglês | MEDLINE | ID: mdl-31748022

RESUMO

Limited understanding of mitochondria disorders that induced by nanoparticles is a stumbling block for anti-cancer drug delivery targeting strategy. In present study, C6 glioma cells were exposed to aminated and alkylated SiO2 nanoparticles for mitochondrion disordering and cell metabolism study. Collective results showed that aminated nanoparticles tend to trigger the cell-repair mechanism in cancer cells while alkylated nanoparticles could cause irreversible damages on cancer cells, although both types of the particles were proved to damage mitochondrion. The underlying mechanism show that aminated nanoparticles induced proton-stuck effect in mitochondrion and self-repairing in cancer cells by up-regulating p21. Otherwise, alkylated nanoparticles damaged mitochondrion and induced phosphorylated cyclin E accumulation lead to Fbw7 down-regulation caused further S phase arrest and severe late apoptosis. This work can help us elucidate the mechanism of the clinic application of nano-drug carriers.


Assuntos
Nanopartículas , Apoptose , Cátions , Linhagem Celular Tumoral , Humanos , Mitocôndrias , Dióxido de Silício
8.
Artigo em Inglês | MEDLINE | ID: mdl-31733019

RESUMO

We developed a temperature-directed micellar morphological transformation using CABC multi-block copolymers with a hydrophobic block A, a hydrophilic block B, and a thermally responsive block C with a lower critical solution temperature (LCST). The micellar structure was switched from a star (below LCST) to a flower (above LCST). The transition-temperature was tuneable in a wide range (11-90 o C) by varying the C monomer composition. The large difference in the loading capacity between the star and flower enabled efficient encapsulation and controlled release of external molecules. Unlike conventional systems, the present star-to-flower transformation keeps micellar structures and hence does not liberate polymers but only external molecules selectively. Another application is a hidden functional segment. A functional segment is hidden (shielded) below LCST and exposed to interact with external molecules or surfaces above LCST, which may serve as a new temperature-directed interface for, e.g., biological and sensing applications.

9.
EBioMedicine ; 49: 106-117, 2019 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-31668570

RESUMO

BACKGROUND: KRAS mutations are the most frequent oncogenic aberration in lung adenocarcinoma. KRAS mutant isoforms differentially shape tumour biology and influence drug responses. This heterogeneity challenges the development of effective therapies for patients with KRAS-driven non-small cell lung cancer (NSCLC). METHODS: We developed an integrative pharmacogenomics analysis to identify potential drug targets to overcome MEK/ERK inhibitor resistance in lung cancer cell lines with KRAS(G12C) mutation (n = 12). We validated our predictive in silico results with in vitro models using gene knockdown, pharmacological target inhibition and reporter assays. FINDINGS: Our computational analysis identifies casein kinase 2A1 (CSNK2A1) as a mediator of MEK/ERK inhibitor resistance in KRAS(G12C) mutant lung cancer cells. CSNK2A1 knockdown reduces cell proliferation, inhibits Wnt/ß-catenin signalling and increases the anti-proliferative effect of MEK inhibition selectively in KRAS(G12C) mutant lung cancer cells. The specific CK2-inhibitor silmitasertib phenocopies the CSNK2A1 knockdown effect and sensitizes KRAS(G12C) mutant cells to MEK inhibition. INTERPRETATION: Our study supports the importance of accurate patient stratification and rational drug combinations to gain benefit from MEK inhibition in patients with KRAS mutant NSCLC. We develop a genotype-based strategy that identifies CK2 as a promising co-target in KRAS(G12C) mutant NSCLC by using available pharmacogenomics gene expression datasets. This approach is applicable to other oncogene driven cancers. FUND: This work was supported by grants from the National Natural Science Foundation of China, the National Key Research and Development Program of China, the Lung Cancer Research Foundation and a Mildred-Scheel postdoctoral fellowship from the German Cancer Aid Foundation.

10.
Bioconjug Chem ; 2019 Nov 23.
Artigo em Inglês | MEDLINE | ID: mdl-31697893

RESUMO

Subtle changes in size can induce distinct responses of the body to hard nanomaterials; however, it is largely unknown whether just a few ethylene oxide unit differences in soft poly(ethylene glycol) (PEG) molecules could significantly alter the renal clearance of small molecules. By systematically investigating in vivo transport of the representative renal clearable organic dyes, IRDye800CW after being conjugated with a series of PEG molecules with molecular weight (MW) below 10 kDa, we found a MW-dependent scaling law: PEG45 (MW = 2100 Da) is an optimized MW to generate the most efficient renal clearance for IRDye800CW by expediting the glomerular filtration of organic dyes and reducing their nonspecific interactions with background tissue. Moreover, the uniqueness of PEG45 can be generalized to other organic dyes such as ZW800-1 and fluorescein. This finding highlights the importance of low-MW PEGylation in tailoring in vivo transport of organic fluorophores, which would broaden their biomedical applications.

11.
Healthc (Amst) ; : 100378, 2019 Nov 07.
Artigo em Inglês | MEDLINE | ID: mdl-31708403

RESUMO

BACKGROUND: Healthy Days at Home (HDAH) is a novel population-based outcome measure developed in conjunction with the Medicare Payment Advisory Commission. METHODS: We identified beneficiary age, sex, race, and Medicaid eligibility, death date, chronic conditions and healthcare utilization among a 20% sample of Medicare beneficiaries in 2016. For each beneficiary we calculated HDAH for the year by subtracting the following measure components from 365 days: mortality days, the total number of days spent in inpatient, observation, skilled nursing facilities (SNF), inpatient psychiatry, inpatient rehabilitation and long-term hospital settings as well as the number of outpatient emergency department and home health visits. We examined how HDAH and its components varied by beneficiary demographic characteristics and chronic condition burden as well as by healthcare market (Hospital Referral Region). We specified a patient-level linear regression adjustment model with HDAH as the outcome and incorporated market fixed effects as well as beneficiary age, sex, and Chronic Conditions Warehouse categories as covariates. We examined the impact of including home health visits in the measure, as well as the association between market demographics and health system characteristics and mean market HDAH. We examined how HDAH changed from 2013 to 2016. RESULTS: The 6,637,568 beneficiaries age 65 and older in our sample had a mean of 347.2 HDAH, those 80 and older had a mean of 325.3 while those with three or more chronic conditions had a mean of 333.7. The components that led to the largest reduction in HDAH were mortality (7.4 days), home health (2.7 visits), SNF utilization (2.4 days) and inpatient care (1.5 days). The worst performing market had 5.8 fewer adjusted HDAH on average compared to the national mean, while beneficiaries in the best-performing market had 5.0 more HDAH on average compared to the national mean, among all beneficiaries age 65 and older. CONCLUSIONS: HDAH is a population-based quality measure with substantial market-level variation. IMPLICATIONS: HDAH recognizes the multidimensional nature of healthcare and may afford providers greater flexibility to tailor quality-improvement initiatives to the unique needs of their patients. LEVEL OF EVIDENCE: Level II.

12.
BMC Infect Dis ; 19(1): 993, 2019 Nov 21.
Artigo em Inglês | MEDLINE | ID: mdl-31752713

RESUMO

BACKGROUND: The goal of this study was to further investigate the clinical effectiveness of the T-SPOT.TB test in diagnosing tuberculosis (TB), including the effects of T-SPOT.TB test on evaluating diverse TB types and locations. METHODS: We collected 20,332 specimens from patients suspected to have TB. Afterwards, we performed an integrative analysis of T-SPOT.TB results and clinical diagnoses, and evaluated the composition ratio and positive detection rate of the T-SPOT.TB test in various age groups, sample types, and hospital departments. In addition, we compared the spot number and composition rate between latent TB infection (LTBI), active TB infection, and old TB infection groups. The active TB group was then further divided into pulmonary TB (PTB), pulmonary and extrapulmonary TB (PETB), and extrapulmonary TB (EPTB) subgroups, and we evaluated whether there were statistical differences in spot number and composition rate between subgroups. RESULTS: Positive results from the T-SPOT.TB test were found across different age groups, specimen types, and hospital departments. Elderly patient groups, pleural effusion samples, and thoracic surgery departments showed the highest rates of positivity. There were no statistically significant differences in spot number of CFP-10 and ESAT-6 wells between disease groups or active TB subgroups. The composition rate, however, was significantly different when ESAT-6 and CFP-10 wells were double-positive. The spot number and composition rate were statistically different between the three disease groups, but showed no significant differences between the three subgroups of active TB. CONCLUSIONS: The results of T-SPOT. TB test showed differences in LTBI, active TB and old TB. Additionally, a higher spot number level was observed in the active TB group.

13.
Yi Chuan ; 41(11): 1009-1022, 2019 Nov 20.
Artigo em Chinês | MEDLINE | ID: mdl-31735704

RESUMO

Quinoa (Chenopodium quinoa Willd, 2n=36) is an annual crop belonging to the genus Chenopodium in Amaranthaceae, and originated from the Titicaca lake of the Andes region in the South America. Due to its high nutritional values and adapted tolerance to various abiotic stresses, quinoa was considered a crop with high application potential, but improvement is still needed for the development and utilization of crop. Therefore it attains the attention of biological scientists and breeders. In recent years, with the pursuit of better health and higher quality of life, the consuming of quinoa grains has increased dramatically. Cultivation and breeding of quinoa has received more attention to ensure global food security as well. On the basis of our multiple years of experience in quinoa germplasm collection which were evolution from Andes region, the focus of this review is on the nutritional quality and application of quinoa, species origination and evolution, domestication by human, and genetic breeding progress and trends, so that a better understanding of quinoa values can be achieved. We aim to help increase farmers' income in poverty areas and ensure national food security by promoting development of quinoa industry in China.


Assuntos
Chenopodium quinoa , Domesticação , Melhoramento Vegetal , Valor Nutritivo
14.
Z Orthop Unfall ; 2019 Nov 19.
Artigo em Inglês | MEDLINE | ID: mdl-31746443

RESUMO

OBJECTIVE: To compare the difference between MIPO and IMN methods in the treatment of displaced clavicular mid-shaft fractures. METHODS: A total 163 patients were consecutively enrolled and randomly divided into the MIPO group or the IMN group. Clinical characteristics and outcomes including age, gender, causes of fractures, and AO/OTA type as well as hospitalization time, healing time, and postoperative complications were analyzed. Constant-Murley scores and DASH scores were used for assessment of shoulder joint and upper extremity function, respectively. RESULTS: In this study, 82 cases received MIPO and 81 cases received IMN. The mean operation time, mean bleeding volume, mean hospitalization time, and mean healing time showed no significant difference between the MIPO and IMN groups. At 3 months after surgery, Constant-Murley scores were significantly higher and DASH scores were significantly lower in the MIPO group than the IMN group. No significant difference was observed for both indexes at 6 months. The fracture nonunion rate was significantly lower in the MIPO group. No significant difference was found in other complications. CONCLUSION: Both methods were effective for the treatment of displaced clavicular mid-shaft fractures. However, the MIPO method might be better for recovery of shoulder and upper extremity function in the short term and might have a lower nonunion rate.

15.
BMC Med Genet ; 20(1): 174, 2019 Nov 09.
Artigo em Inglês | MEDLINE | ID: mdl-31706290

RESUMO

BACKGROUND: Polydactyly is one of the most common congenital hand/foot malformations in humans. Mutations in GLI3 have been reported to cause syndromic and non-syndromic forms of preaxial and postaxial polydactylies. CASE PRESENTATION: The patient was a 2-year-old boy who underwent surgery in our hospital. The right hand and left foot of the patient were labelled as postaxial polydactyly type B, and there was cutaneous webbing between the 3rd and 4th fingers of the left hand. We identified a novel c. 1622C > T variant in GLI3 leading to an isolated postaxial synpolydactyly. CONCLUSIONS: The patient carries a novel autosomal dominant heterozygous missense mutation. This mutation c.1622C > T;p.(Thr541Met) in the GLI3 gene may affect the normal function of the zinc finger domain (ZFD) in a different way. However, it seems that more research is needed to determine the exact effects of this mutation.

16.
Sensors (Basel) ; 19(22)2019 Nov 14.
Artigo em Inglês | MEDLINE | ID: mdl-31739486

RESUMO

Wear debris detection is an effective method to determine the running state of the machine. Recently, the planar inductor is commonly used to detect wear debris. The previous studies have found that the inductive signal would be varied while changing the position of wear debris pass through. However, the effect of position on the wear debris detection is not well understood. In this paper, a novel detection system in which the position of wear debris pass through could be adjusted precisely is designed. By changing the position in horizontal or vertical direction, the inductive signals of the wear debris were acquired. In the horizontal direction, the experimental results show that the amplitude of the inductive signal first increases and then decreases when the position changes from the center of the planar inductor to the outer. The maximum inductive signal appears when the wear debris pass through the edge of the inner coil, which is 20% higher than that for the center and much higher than that for the edge of outer coil. In the vertical direction, the signal decreases almost linearly when the position is away from the planar inductor. For every 0.1 mm step far away the planar inductor, the signal amplitude drops by approximately 10%. The variation trend of our experimental results is consistent with the numerical simulation results of magnetic intensity around the planar inductor.

17.
BMC Genomics ; 20(1): 796, 2019 Oct 30.
Artigo em Inglês | MEDLINE | ID: mdl-31666016

RESUMO

BACKGROUND: Clade 5 Clostridioides difficile diverges significantly from the other clades and is therefore, attracting increasing attention due its great heterogeneity. In this study, we used third-generation sequencing techniques to sequence the complete whole genomes of three ST11 C. difficile isolates, RT078 and another two new ribotypes (RTs), obtained from three independent hospitalized elderly patients undergoing antibiotics treatment. Mobile genetic elements (MGEs), antibiotic-resistance, drug resistance genes, and virulent-related genes were analyzed and compared within these three isolates. RESULTS: Isolates 10,010 and 12,038 carried a distinct deletion in tcdA compared with isolate 21,062. Furthermore, all three isolates had identical deletions and point-mutations in tcdC, which was once thought to be a unique characteristic of RT078. Isolate 21,062 (RT078) had a unique plasmid, different numbers of transposons and genetic organization, and harboring special CRISPR spacers. All three isolates retained high-level sensitivity to 11 drugs and isolate 21,062 (RT078) carried distinct drug-resistance genes and loss of numerous flagellum-related genes. CONCLUSIONS: We concluded that capillary electrophoresis based PCR-ribotyping is important for confirming RT078. Furthermore, RT078 isolates displayed specific MGEs, indicating an independent evolutionary process. In the further study, we could testify these findings with more RT078 isolates of divergent origins.

18.
Lancet Psychiatry ; 2019 Nov 20.
Artigo em Inglês | MEDLINE | ID: mdl-31759900

RESUMO

Nutritional psychiatry is a growing area of research, with several nutritional factors implicated in the cause of psychiatric ill-health. However, nutritional research is highly complex, with multiple potential factors involved, highly confounded exposures and small effect sizes for individual nutrients. This Personal View considers whether Mendelian randomisation provides a solution to these difficulties, by investigating causality in a low-risk and low-cost way. We reviewed studies using Mendelian randomisation in nutritional psychiatry, along with the potential opportunities and challenges of using this approach for investigating the causal effects of nutritional exposures. Several studies have identified nutritional exposures that are potentially causal by using Mendelian randomisation in psychiatry, offering opportunities for further mechanistic research, intervention development, and replication. The use of Mendelian randomisation as a foundation for intervention development facilitates the best use of resources in an emerging discipline in which opportunities are rich, but resources are often poor.

19.
Nanotechnology ; 2019 Nov 26.
Artigo em Inglês | MEDLINE | ID: mdl-31770730

RESUMO

The abuse of antibiotics has led to the emergence of numerous super resistant bacteria, which pose a serious threat to the public health. Developing nanomaterials with novel modes of bactericidal activity offers the promise to fight pathogens without the risk of causing drug resistances. Here, we used reduced graphene oxide (rGO), bulk molybdenum disulfide (MoS2) and silver nitrate (AgNO3) to synthesize a ternary nanocomposites, rGO-MoS2-Ag, via a simple one-pot method. The resulting rGO-MoS2-Ag presented as crumpled and sheet-like structures decorated with Ag nanoparticles. The minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) of rGO-MoS2-Ag against Escherichia coli were 50 and 100 µg/mL, while Staphylococcus aureus reacted only to twice higher concentrations of 100 and 200 µg/mL, respectively. Notably, rGO-MoS2-Ag exhibited better antibacterial activity towards E. coli and S. aureus than rGO, MoS2, or rGO-MoS2. This result can be attributed to the excellent performance of rGO-MoS2-Ag in destroying the bacterial cell membrane and inducing the generation of reactive oxygen species (ROS). The Ag+ ion release of rGO-MoS2-Ag was delayed, endowing the nanocomposite with long-term antibacterial capabilities and better biosafety. Our results indicate that the as-prepared rGO-MoS2-Ag has promising potential for application in biomedicine and public health.

20.
Phys Chem Chem Phys ; 2019 Nov 28.
Artigo em Inglês | MEDLINE | ID: mdl-31777888

RESUMO

A symmetrical quasiclassical (SQC) dynamics approach based on the Li-Miller (LM) mapping Hamiltonian (SQC-LM) was employed to describe nonadiabatic dynamics. In principle, the different initial sampling procedures may be applied in the SQC-LM dynamics, and the results may be dependent on different initial sampling. We provided various initial sampling approaches and checked their influence. We selected two groups of models including site-exciton models for exciton dynamics and linear vibronic coupling models for conical intersections to test the performance of SQC-LM dynamics with the different initial sampling methods. The results were examined with respect to those of the accurate multiconfigurational time-dependent Hartree (MCTDH) quantum dynamics. For both the models, the SQC-LM method more-or-less gives a reasonable description of the population dynamics, while the influence of the initial sampling approaches on the final results is noticeable. It seems that the suitable initial sampling methods should be determined by the system under study. This indicates that the combination of the SQC-LM method with a suitable sampling approach may be a potential method in the description of nonadiabatic dynamics.

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