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1.
Opt Express ; 32(7): 12476-12495, 2024 Mar 25.
Artigo em Inglês | MEDLINE | ID: mdl-38571069

RESUMO

Multi-band terahertz (THz) absorbers have recently gained attention due to their favorable application prospects in communication, imaging, detection, and other fields. However, many multi-band THz absorbers are tuned by a single method, which limits their tuning effect. To address this issue, we propose a multi-band THz absorber that can be co-modulated by thermal and electrical methods. Our proposed absorber uses vanadium dioxide (VO2) to achieve this co-modulation. When VO2 is insulating, the frequency of the absorbing peaks originating from the lateral Fabry-Pérot resonance mode can be changed by adjusting the VO2 width. When VO2 is a conductor, the quality factor of the absorbing peak based on the inductor-capacitor resonance mode can be tuned by adjusting the width of VO2. By varying the top dielectric layer thickness, the frequency of the absorbing peaks can be tuned over a wide range. For devices with two or three layers of graphene nanoribbons-dielectric stacks, a modulation effect similar to that of varying dielectric layer thickness in a single-layer graphene device can be achieved simply by applying a 1 eV Fermi energy to graphene nanoribbons in different layers. By combining thermal and electrical modulation, the two or three-layer stacked device can be dynamically switched between four or six absorbing states, and a wider range of dynamic peak frequency modulation can be realized. Furthermore, the performance of the absorber does not deteriorate significantly at an incident angle of up to 70°. Our proposed thermal-electrical switchable wide-angle multi-band THz absorber provides a reference for the design, fabrication, and application of high-performance THz absorbers in different fields.

2.
Gut ; 72(6): 1129-1142, 2023 06.
Artigo em Inglês | MEDLINE | ID: mdl-35953094

RESUMO

OBJECTIVE: The incidence of early-onset colorectal cancer (EO-CRC) is steadily increasing. Here, we aimed to characterise the interactions between gut microbiome, metabolites and microbial enzymes in EO-CRC patients and evaluate their potential as non-invasive biomarkers for EO-CRC. DESIGN: We performed metagenomic and metabolomic analyses, identified multiomics markers and constructed CRC classifiers for the discovery cohort with 130 late-onset CRC (LO-CRC), 114 EO-CRC subjects and age-matched healthy controls (97 LO-Control and 100 EO-Control). An independent cohort of 38 LO-CRC, 24 EO-CRC, 22 LO-Controls and 24 EO-Controls was analysed to validate the results. RESULTS: Compared with controls, reduced alpha-diversity was apparent in both, LO-CRC and EO-CRC subjects. Although common variations existed, integrative analyses identified distinct microbiome-metabolome associations in LO-CRC and EO-CRC. Fusobacterium nucleatum enrichment and short-chain fatty acid depletion, including reduced microbial GABA biosynthesis and a shift in acetate/acetaldehyde metabolism towards acetyl-CoA production characterises LO-CRC. In comparison, multiomics signatures of EO-CRC tended to be associated with enriched Flavonifractor plauti and increased tryptophan, bile acid and choline metabolism. Notably, elevated red meat intake-related species, choline metabolites and KEGG orthology (KO) pldB and cbh gene axis may be potential tumour stimulators in EO-CRC. The predictive model based on metagenomic, metabolomic and KO gene markers achieved a powerful classification performance for distinguishing EO-CRC from controls. CONCLUSION: Our large-sample multiomics data suggest that altered microbiome-metabolome interplay helps explain the pathogenesis of EO-CRC and LO-CRC. The potential of microbiome-derived biomarkers as promising non-invasive tools could be used for the accurate detection and distinction of individuals with EO-CRC.


Assuntos
Neoplasias Colorretais , Microbioma Gastrointestinal , Microbiota , Humanos , Microbioma Gastrointestinal/genética , Neoplasias Colorretais/diagnóstico , Fenótipo , Colina
3.
Small ; 19(11): e2207143, 2023 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-36543359

RESUMO

Developing a new universal strategy to design all organic ferromagnets or multiferroics with satisfactory properties always remains challenging. In this work, ternary charge transfer crystals are fabricated to realize organic multiferroic magnetoelectric coupling effect. Through incorporating the third component into binary crystals, a dimerization between neighbor donor and acceptor is induced to form a lattice symmetry breaking, where a nonpolar to polar phase transition is ensuing to lead to a dipolar polarization. Magnetic field can effectively tune the dipolar polarization to present a magnetoelectric coupling effect. Moreover, the introduction of the third component can result in a rearrangement in molecular configuration to modify the electron-phonon interaction. As a result, anisotropic magnetism is observed due to anisotropic electron-phonon coupling in ternary crystals. Overall, this study forecasts that incorporating an appropriate third component is a potential method for designing all organic multiferroics.

4.
Opt Express ; 31(9): 14651-14658, 2023 Apr 24.
Artigo em Inglês | MEDLINE | ID: mdl-37157324

RESUMO

Ultraviolet Imager (UVI) onboard Haiyang-1C/D (HY-1C/D) satellites has been providing ultraviolet (UV) data to detect marine oil spills since 2018. Although the scale effect of UV remote sensing has been preliminarily interpreted, the application characteristics of spaceborne UV sensors with medium spatial resolution in oil spill detection deserve further investigation, especially the role of sunglint in the process of detection. In this study, the performance of the UVI is thoroughly assessed by the following aspects: image features of oils under sunglint, sunglint requirement for spaceborne UV detection of oils, and the stability of the UVI signal. The results indicate that in UVI images, it is sunglint reflection that determines the image features of spilled oils, and the appearance of sunglint can strengthen the contrast between oils and seawater. Besides, the required sunglint strength in spaceborne UV detection has been deduced to be 10-3 - 10-4 sr-1, which is higher than that in the VNIR wavelengths. Moreover, uncertainties in the UVI signal can meet the demand to discriminate between oils and seawater. The above results can confirm the capability of the UVI and the critical role of sunglint in spaceborne UV detection of marine oil spills, and provide new reference for spaceborne UV remote sensing.

5.
Glob Chang Biol ; 29(16): 4511-4529, 2023 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-37231532

RESUMO

Marine phytoplankton fuel the oceanic biotic chain, determine the carbon sequestration levels, and are crucial for the global carbon cycle and climate change. In the present study, we show a near-two-decadal (2002-2022) spatiotemporal distribution of global phytoplankton abundance, proxy as dominant phytoplankton taxonomic groups (PTGs), with a newly developed remote sensing model. Globally, six chief PTGs, namely chlorophytes (~26%), diatoms (~24%), haptophytes (~15%), cryptophytes (~10%), cyanobacteria (~8%), and dinoflagellates (~3%), explain most of the variation (~86%) in phytoplankton assemblages. Spatially, diatoms generally dominate high latitudes, marginal seas, and coastal upwelling zones, whereas chlorophytes and haptophytes control the open oceans. Satellite observations reveal a gentle multi-annual trend of the PTGs in the major oceans, indicative of roughly "unchanged" conditions on the total biomass or compositions of the phytoplankton community. Jointly, "changed" status applies to a short-term (seasonal) timescale: (1) Fluctuations of PTGs exhibit different amplitudes among different subregions, together with a general rule-more intense vibration in the Northern Hemisphere and polar oceans than other zones; (2) diatoms and haptophytes vary more dramatically than other PTGs in a global-scale scope. These findings provide a clear picture of the global phytoplankton community composition and can improve our understanding of their state and further analysis of marine biological processes.


Assuntos
Cianobactérias , Diatomáceas , Dinoflagellida , Fitoplâncton , Oceanos e Mares
6.
Opt Lett ; 48(3): 644-647, 2023 Feb 01.
Artigo em Inglês | MEDLINE | ID: mdl-36723553

RESUMO

In this Letter, we theoretically study the topological plasmons in Su-Schrieffer-Heeger (SSH) model-based graphene nanoribbon (GNR) layers. We find that for the one-dimensional (1D) stacked case, only two topological modes with the field localized in the top or bottom layer are predicted to exist by the Zak phase. When we further expand the stacked 1D GNR layers to two-dimensional (2D) arrays in the in-plane direction, the topology is then characterized by the 2D Zak phase, which predicts the emergence of three kinds of topological modes: topological edge, surface, and corner modes. For a 2D ribbon array with Nx × Ny units, there are 4(Ny - 1), 4(Nx - 1), and 4 topological edge, surface, and corner modes, and the field is highly localized at the edge/surface/corner ribbons. This work offers a platform to realize topological modes in GNRs and could be important for the design of topological photonic devices such as lasers and sensors.

7.
Exp Brain Res ; 241(11-12): 2817-2827, 2023 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-37882882

RESUMO

Amyotrophic lateral sclerosis (ALS) is an adult-onset, chronic, progressive, and fatal neurodegenerative disease that leads to progressive atrophy and weakness of the muscles throughout the body. Herein, we found that the intrathecal injection of adeno-associated virus (AAV)-delivered VEGF in SOD1-G93A transgenic mice, as well as ALS mice, could significantly delay disease onset and preserve motor functions and neurological functions, thus prolonging the survival of mice models. Moreover, we found that VEGF treatment could induce the elevated expression of aromatase, which is a key enzyme in estrogen synthesis, in neurons but not in astrocytes. On the other hand, the changes in the expression of oxidative stress-related factors HO-1 and GCLM and autophagy-related proteins p62 and LC3II upon the administration of VEGF revealed the involvement of oxidative stress and autophagy underlying the downstream of the VEGF-induced mitigation of ALS. In conclusion, this study proved the protective effects of VEGF in the onset and development of ALS and revealed the involvement of estrogen, oxidative stress and autophagy in the VEGF-induced alleviation of ALS. Our results highlighted the potential of VEGF as a promising therapeutic agent in the treatment of ALS.


Assuntos
Esclerose Lateral Amiotrófica , Doenças Neurodegenerativas , Camundongos , Animais , Esclerose Lateral Amiotrófica/tratamento farmacológico , Esclerose Lateral Amiotrófica/metabolismo , Neurônios Motores/fisiologia , Fator A de Crescimento do Endotélio Vascular/metabolismo , Fator A de Crescimento do Endotélio Vascular/farmacologia , Doenças Neurodegenerativas/metabolismo , Aromatase/genética , Aromatase/metabolismo , Aromatase/farmacologia , Superóxido Dismutase/genética , Superóxido Dismutase/metabolismo , Superóxido Dismutase/farmacologia , Camundongos Transgênicos , Modelos Animais de Doenças , Estrogênios/farmacologia , Estrogênios/uso terapêutico
8.
Bioorg Chem ; 139: 106688, 2023 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-37423053

RESUMO

A flexible asymmetric synthesis of both enantiomers of euphopilolide (1) and jolkinolide E (2) [(+)-and (-)-1, (+)-and (-)-2] has been accomplished. This synthesis features an intramolecular oxa-Pauson-Khand reaction (o-PKR) to expeditiously construct the challenging tetracyclic [6.6.6.5] abietane-type diterpene framework, elegantly showcasing the complexity-generating features of o-PKR synthetic methodology leveraging on a judiciously chosen suitable chiral pool scaffold. Furthermore, the anti-hepatocellular carcinoma (HCC) activity of synthetic (-)-euphopilolide (1), (-)-jolkinolide E (2) and their analogues was evaluated. We found that (-)-euphopilolide (1) and (-)-jolkinolide E (2) inhibited the proliferation and induced apoptosis in HCC cells. These findings lay a good foundation for further pharmacology studies of abietane lactone derivatives and provide valuable insight for the development of anti-HCC small molecule drug of natural product origin.

9.
Anim Biotechnol ; 34(4): 1120-1131, 2023 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-35020556

RESUMO

The differentiation of embryonic stem cells (ESCs) into germ cells in vitro could have very promising applications for infertility treatment and could provide an excellent model for uncovering the molecular mechanisms of germline generation. This study aimed to investigate the differentially expressed miRNAs (DEMs) during the differentiation of chicken ESCs (cESCs) into male germ cells and to establish a profile of the DEMs. Cells before and after induction were subjected to miRNA sequencing (miRNA-seq). A total of 113 DEMs were obtained, including 61 upregulated and 52 downregulated DEMs. GO and KEGG enrichment analyses showed that the target genes were enriched mainly in the MAPK signaling pathway, HTLV infection signaling pathway, cell adhesion molecule (CAM)-related pathways, viral myocarditis, Wnt signaling pathway, ABC transporters, TGF-ß signaling pathways, Notch signaling pathways and insulin signaling pathway. The target genes of the miRNAs were related to cell binding, cell parts and biological regulatory processes. Six DEMs, let-7k-5p, miR-132c-5p, miR-193a-5p, miR-202-5p, miR-383-5p and miR-6553-3p, were assessed by qRT-PCR, and the results were consistent with the results of miRNA-seq. Based on qRT-PCR and western blot verification, miR-383-5p and its putative target gene STRN3 were selected to construct an STRN3 3'-UTR dual-luciferase gene reporter vector and its mutant vector. The double luciferase reporter activity of the cotransfected STRN3-WT + miR-383-5p mimics group was significantly lower (by approximately 46%) than that of the other five groups (p < 0.01). There was no significant difference in luciferase activity among the other 5 groups. This study establishes a DEM profile during the process of cESC differentiation into male germ cells; illustrates the mechanisms by which miRNAs regulate target genes; provides a theoretical basis for further research on the mechanisms of the formation and regulation of male germ cells; and provides an important strategy for gene editing, animal genetic resource protection and transgenic animal production.


Assuntos
MicroRNAs , Embrião de Galinha , Masculino , Animais , MicroRNAs/genética , MicroRNAs/metabolismo , Galinhas/genética , Galinhas/metabolismo , Diferenciação Celular/genética , Células Germinativas/metabolismo , Luciferases/genética , Perfilação da Expressão Gênica
10.
Arch Gynecol Obstet ; 2023 Nov 08.
Artigo em Inglês | MEDLINE | ID: mdl-37938359

RESUMO

PURPOSE: This study aimed to investigate the performance, cost-effectiveness and additional findings of combined detailed ultrasound and biochemical screening for risks of major fetal trisomies in the first-trimester. METHODS: This is a retrospective analysis study, we estimated the risk of trisomies 21, 18 and 13 based on maternal age, fetal nuchal translucency thickness, nasal bone, ductus venosus pulsatility index velocity, tricuspid regurgitation, fetal heart rate, free beta-human chorionic gonadotropin, and pregnancy-associated plasma protein A in singleton pregnant women, and performed non-invasive prenatal testing for women with risks of trisomy 21 between 1:500 and 1:300. Invasive diagnostic testing was performed for women with positive or failed non-invasive prenatal testing result and in the high-risk group of this screening method. The direct costs were compared between this strategy and the non-invasive prenatal testing which alone used as first-line screening for all pregnant women. RESULTS: Among 25,155 singleton pregnant women who underwent screening, 24,361 were available for analysis, of these, 194 cases underwent non-invasive prenatal testing. Among the 24,361 women, 39, 19, and 7 had trisomies 21, 18 and 13, respectively. The use of this strategy could potentially detect approximately 94.87% of trisomy 21 cases, 100% of trisomy 18 cases, and 100% of trisomy 13 cases, with false-positive rates of 2.49%, 0.41%, and 0.49%, respectively. The overall detection rate and overall false-positive rates were 96.92% and 2.52%, respectively. The detection rate was 100% in the advanced age group and 94.12% in the general age group. Additionally, structural abnormalities were detected in 137 fetuses, and 44 fetuses had other chromosomal abnormalities. The total cost of this strategy was $3,730,843.30, and the cost per person tested was $153.15. The total cost of using non-invasive prenatal testing as the first-line strategy would be $6,813,387.04 and the cost per person tested was $279.68. CONCLUSIONS: Our strategy is an efficient and cost-effective approach for detecting major trisomies and identifying more fetuses with a potential abnormality. Therefore, this strategy is a valuable screening method and highly feasible in the clinical setting.

11.
Sensors (Basel) ; 23(9)2023 Apr 26.
Artigo em Inglês | MEDLINE | ID: mdl-37177492

RESUMO

An airborne anemometer, which monitors wind on the basis of Meteorological Multi-rotor UAVs (Unmanned Aerial Vehicles), is important for the prevention of catastrophe. However, its performance will be affected by the self-excited air turbulence generated by UAV rotors. In this paper, for the purpose of the correction of an error, we developed a method for the elimination of the influence of air turbulence on wind speed measurement. The corresponding correction model is obtained according to the CFD (Computational Fluid Dynamics) simulation of a six-rotor UAV which is carried out with the sliding grid method and the S-A turbulence model. Then, the model is applied to the developed prototype by adding the angle of attack compensation model of the airborne anemometer. It is shown by the actual application that the airborne anemometer can maintain the original measurement accuracy at different ascent speeds.

12.
Nano Lett ; 22(13): 5481-5486, 2022 07 13.
Artigo em Inglês | MEDLINE | ID: mdl-35730662

RESUMO

The response of crystal structure to external stimuli provides potential applications in the areas of detection, diagnosis, and repair. In this work, we fabricate two allotropic organic cocrystals, with different space groups and lattice parameters, with identical donor and acceptor molecules inside them. Under external stimuli, lattice vibration and electron-phonon coupling present pronounced differences in these two types of crystals, where different strengths of spin polarizations are observed. Furthermore, due to pronounced differences in coupling between lattice and spin inside the allotropic charge transfer crystals, the magnetic field presents a discrepant tunability on both transmission and fluorescence lifetimes. Through decreasing temperature or applying external electric field, the electron-phonon coupling coefficient presents a decreasing tendency, which will affect the dipole and dielectric constant in the allotropic crystals differently.


Assuntos
Elétrons , Fônons , Eletricidade , Campos Magnéticos , Vibração
13.
J Proteome Res ; 21(3): 740-746, 2022 03 04.
Artigo em Inglês | MEDLINE | ID: mdl-34816714

RESUMO

Branched-chain amino acid (BCAA) metabolism plays an important role in the pancreatic carcinogenesis, but its mechanism remains unclear. Hence, this study was performed to investigate the value of genes related to BCAA catabolism in pancreatic cancer. The online Gene Expression Omnibus database, The Cancer Genome Atlas, and International Cancer Genome Consortium data sets were searched for bioinformatic analysis. Univariate Cox and Lasso regression were applied to construct a predictive model. Human cancer cell lines and tissue microarray (TMA) were applied for validation. From the 48 BCAA-catabolism enzyme (BCE) genes, a 5-gene risk-score (ABAT, ACAT1, BCAT1, BCAT2, and DBT) was constructed. Patients in high-risk and low-risk groups stratified by risk-score indicated significantly different overall survival. Given the clinical parameters, the risk-score was an independent predictor for prognosis. Among the five genes, BCAT2 and ABAT were hub genes with favorable prognosis value, which was validated by TMA immunohistochemistry (IHC) staining. Immune infiltration analysis indicated high-risk group enriched macrophage, and decreased positive cell density of stromal CD68+ macrophage in TMA was observed for BCAT2 with low-expression versus high-expression cases. In conclusion, a risk-score involving five BCE genes was proposed to predict the poor prognosis of pancreatic cancer. On the basis of the immune infiltration analysis, the underlying mechanism might be BCAT2 associated stromal macrophage infiltration.


Assuntos
Neoplasias Pancreáticas , Aminoácidos de Cadeia Ramificada/genética , Aminoácidos de Cadeia Ramificada/metabolismo , Humanos , Neoplasias Pancreáticas/patologia , Prognóstico , Transaminases/metabolismo , Neoplasias Pancreáticas
14.
Opt Express ; 30(20): 36592-36602, 2022 Sep 26.
Artigo em Inglês | MEDLINE | ID: mdl-36258584

RESUMO

The use of thermal remote sensing for marine green tide monitoring has not been clearly demonstrated due to the lack of high-resolution spaceborne thermal observation data. This problem has been effectively solved using high-spatial resolution thermal and optical images collected from the sensors onboard the Ziyuan-1 02E (ZY01-02E) satellite of China. The characteristics and principles of spaceborne thermal remote sensing of green tides were investigated in this study. Spaceborne thermal cameras can capture marine green tides depending on the brightness temperature difference (BTD) between green tides and background seawater, which shows a positive or negative BTD contrast between them in the daytime or nighttime. There is a significant difference between thermal and optical remote sensing in the ability to detect green tides; compared with optical remote sensing, pixels containing less algae are not easily distinguishable in thermal images. However, there is a good linear statistical relationship between the BTD and the optical parameter (scaled algae index of virtual baseline height of floating macroalgae, SAI(VB)) of green tides, which indicates that the BTD can be used to quantify the green tide coverage area in a pixel or biomass per area. Then, the uncertainty in thermal quantitative remote sensing of green tides was clarified according to the pixel-to-pixel relationship between optical and thermal images. In a mixed pixel, green tide coverage and algal thickness have different thermal signal responses, which results in this uncertainty. In future research, more thermally remotely sensed images with high spatial resolution are needed to increase the observation frequency in the daytime and nighttime for the dynamic monitoring of green tides.


Assuntos
Monitoramento Ambiental , Alga Marinha , Monitoramento Ambiental/métodos , Biomassa , Água do Mar , Plantas , Oceanos e Mares , China
15.
Opt Express ; 30(15): 27912-27925, 2022 Jul 18.
Artigo em Inglês | MEDLINE | ID: mdl-36236950

RESUMO

In continuous-variable quantum key distribution (CV-QKD), the key information are encoded on quadratures of the optical field, which are measured via balanced homodyne detector (BHD). The bandwidth of the BHD is one of key parameters for precise characterization of quantum states. We establish a theoretical model to analyze the impact of the BHD bandwidth and signal modulation patterns on the channel parameters estimation of CV-QKD systems. Based on the proposed model, the secure key rate of a practical CV-QKD system under different BHD bandwidths and signal modulation patterns are investigated. Our results show that insufficient BHD bandwidth will result in wrong estimate of the transmission loss and excess noise, which significantly affects the performance of CV-QKD systems. Given the BHD bandwidth, there exists an optimal signal repetition rate that maximizes the secure key rate. The BHD bandwidth requirement of the QKD system increases with the transmission distance for large duty cycle pulse. Furthermore, the root raised-cosine pulse signal modulation performs better than the square pulse signal modulation in general.

16.
Opt Express ; 30(3): 3893-3902, 2022 Jan 31.
Artigo em Inglês | MEDLINE | ID: mdl-35209638

RESUMO

A multi-band terahertz (THz) absorber based on graphene sheet and nanoribbons is proposed and investigated. In the studied frequency range, five absorption peaks are observed, with four originate from lateral Fabry-Perot resonance (LFPR) and one originates from guided-mode resonance (GMR). The LFPR and GMR peaks behave differently when geometric parameters are adjusted, which makes independent tuning possible. When period increases, the GMR peak red shifts and the frequencies of LFPR peaks remain almost unchanged. On the contrary, as nanoribbon width increases, the frequency of GMR remains almost unchanged while that of LFPRs decrease significantly. With increasing top dielectric layer thickness, the LFPR peaks blue shift while the GMR peak red shifts. In addition, the absorber has the merit of multi-band high absorptivity and frequency stability under large angle oblique incidence. The proposed terahertz absorber may benefit the areas of medical imaging, sensing, non-destructive testing, THz communications and other applications.

17.
Anim Biotechnol ; : 1-8, 2022 Dec 21.
Artigo em Inglês | MEDLINE | ID: mdl-36542538

RESUMO

Dermal papilla cells (DPCs) are the key dermal component of the hair follicle that directly regulates hair follicle development, growth and regeneration. Successfully isolated and cultured DPCs from Small-tail Han sheep could provide a good model for the study of hair follicle development mechanism in vitro. DPCs were isolated using enzyme digestion and dissecting microscope from Small-tail Han sheep. Adherent cells were identified by cell characteristics, particular gene expression, differentiation capability to adipocyte and osteoblast using specific differentiation mediums. Additionally, flow cytometry was used to detect the cell cycle of DPCs. Cells originating from the dermal papilla showed the morphological appearance of mesenchymal cells (fibroblast-like cells). Purified DPCs were positive for α-SMA (α smooth muscle actin) and vimentin; in addition to their strong proliferation abilities in vitro, these DPCs can be differentiated into adipocyte and osteoblasts lineage under appropriate culture condition. DPCs were successfully isolated and subcultured from Small-tail Han sheep, which exhibited progenitor cell features and multiple differentiation potency. It provides a material for studying the molecular mechanism of hair follicle development and hair cycle, which will promote wool production in the future.

18.
Molecules ; 27(2)2022 Jan 17.
Artigo em Inglês | MEDLINE | ID: mdl-35056892

RESUMO

Only a limited number of multinucleating ligands can stably maintain multinuclear metal structures in aqueous solutions. In this study, a water-soluble dinucleating ligand, 2,6-bis{[N-(carboxylatomethyl)-N-methyl-amino]methyl}-4-methylphenolate ((sym-cmp)3-), was prepared and its copper(II) complexes were structurally characterized. Using the single-crystal X-ray diffraction method, their dimer-of-dimers type defect cubane tetranuclear copper(II) structures were characterized for [Cu4(sym-cmp)2Cl2(H2O)2] and [Cu4(sym-cmp)2(CH3O)2(CH3OH)2]. In the complexes, each copper(II) ion has a five-coordinate square-pyramidal coordination geometry. The coordination bond character was confirmed by the density functional theory (DFT) calculation on the basis of the crystal structure, whereby we found the bonding and anti-bonding molecular orbitals. From the cryomagnetic measurement and the magnetic analysis, overall antiferromagnetic interaction was observed, and this magnetic behavior is also explained by the DFT result. Judging from the molar conductance and the electronic spectra, the bridging chlorido ligand dissociates in water, but the dinuclear copper(II) structure was found to be maintained in an aqueous solution. In conclusion, the tetranuclear copper(II) structures were crystallographically characterized, and the dinuclear copper(II) structures were found to be stabilized even in an aqueous solution.

19.
Molecules ; 27(21)2022 Oct 23.
Artigo em Inglês | MEDLINE | ID: mdl-36363993

RESUMO

With the continuous evolution of bacteria and the constant use of traditional antibiotics, the emergence of drug-resistant bacteria and super viruses has attracted worldwide attention. Antimicrobial therapy has become the most popular and important research field at present. Coordination Polymer (CP) and/or metal-organic framework (MOF) platforms have the advantages of a high biocompatibility, biodegradability, and non-toxicity, have a great antibacterial potential and have been widely used in antibacterial treatment. This paper reviewed the mechanism and antibacterial effect of three typical MOFs (pure Ag-MOFs, hybrid Ag-MOFs, and Ag-containing-polymer @MOFs) in silver-based coordination polymers. At the same time, the existing shortcomings and future views are briefly discussed. The study on the antibacterial efficacy and mechanism of Ag-MOFs can provide a better basis for its clinical application and, meanwhile, open up a novel strategy for the preparation of more advanced Ag-contained materials with antibacterial characteristics.


Assuntos
Estruturas Metalorgânicas , Prata , Prata/farmacologia , Polímeros/farmacologia , Antibacterianos/farmacologia , Estruturas Metalorgânicas/farmacologia
20.
Molecules ; 27(24)2022 Dec 18.
Artigo em Inglês | MEDLINE | ID: mdl-36558170

RESUMO

The fluorination strategy is one of the most efficient and popular molecular modification methods to develop new materials for organic photovoltaic (OPV) cells. For OPV materials, it is a broad agreement that fluorination can reduce the energy level and change the morphology of active layers. To explore the effect of fluorination on small molecule acceptors, we selected two non-fullerene acceptors (NFA) based bulk heterojunction (BHJ) films, involving PM6:Y6 and PM6:Y5 as model systems. The electron mobilities of the PM6:Y5 and PM6:Y6 BHJ films are 5.76 × 10-7 cm2V-1s-1 and 5.02 × 10-5 cm2V-1s-1 from the space-charge-limited current (SCLC) measurements. Through molecular dynamics (MD) simulation, it is observed that halogen bonds can be formed between Y6 dimers, which can provide external channels for electron carrier transfer. Meanwhile, the "A-to-A" type J-aggregates are more likely to be generated between Y6 molecules, and the π-π stacking can be also enhanced, thus increasing the charge transfer rate and electron mobility between Y6 molecules.

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