ABSTRACT
Cobalt has the highest Curie temperature (Tc) among the elemental ferromagnetic metals and has a hexagonal close-packed (HCP) structure at room temperature. In this study, HCP Co was thinned to the thickness of several (n) unit cells along the c-axis and then passivated by halogen atoms, thus being named Co2nX2 (X = F, Cl, Br and I). For Co2X2 and Co3X2, all of them are not only kinetically but also thermodynamically stable from the viewpoint of the phonon spectra and molecular dynamics. Similar to HCP Co, two-dimensional (2D) Co2F2, Co2Cl2 and Co3X2 (X = Cl, Br and I) are still ferromagnetic metals within the Stoner model but Co2X2 (X = Br and I) is a ferromagnetic half-metal with the coexistence of the metallic behavior for one spin and the insulating behavior for the other spin. Taking into account the spin-orbital coupling (SOC), the easy-magnetization axis is within the plane where the magnetization is isotropic, making it look like a 2D XY magnet. Applying a critical biaxial strain could lead to an easy-magnetization axis changing from the in-plane to the out-of-plane direction. Finally, we use classical Monte Carlo simulations to estimate the Curie temperature (Tc) which is as high as 957 and 510 K for Co2F2 and Co2Cl2, respectively, because of the strong direct exchange interaction. Different from being obtained by mechanical or liquid exfoliation from van der Waals layered structures, our study opens up new possibilities to search for novel 2D ferromagnets from the elemental ferromagnets and provides opportunities for realizing realistic ultra-thin spintronic devices.
ABSTRACT
Metal halide perovskite ferroelectrics possess various physical characteristics such as piezoelectric and pyroelectric effects, which could broaden the application of perovskite ferroelectrics and enhance the optoelectronic performance. Therefore, it is promising to combine multiple effects to optimize the performance of the self-powered PDs. Herein, patterned 2D ferroelectric perovskite (PMA)2PbCl4 microbelt arrays were demonstrated through a PDMS template-assisted antisolvent crystallization method. The perovskite arrays based flexible photodetectors exhibited fine self-powered photodetection performance under 320 nm illumination and much enhanced reproducibility compared with the randomly distributed single-crystal microbelts-based PDs. Furthermore, by introducing the piezo-phototronic effect, the performance of the flexible PD was greatly enhanced. Under an external tensile strain of 0.71%, the responsivity was enhanced by 185% from 84 to 155.5 mA/W. Our findings offer the advancement of comprehensively utilizing various physical characteristics of the ferroelectrics for novel ferroelectric optoelectronics.
Subject(s)
Oxides , Zinc Oxide , Reproducibility of Results , Calcium Compounds , Zinc Oxide/chemistryABSTRACT
Porcine reproductive and respiratory syndrome (PRRS) is a highly contagious and virulent infectious disease caused by the porcine reproductive and respiratory syndrome virus (PRRSV), which has substantial economic losses in the pig industry worldwide, and PRRSV attenuated vaccines and inactivated vaccines do have limitations in immune protection. The discovery of new antiviral targets has become a new research field. The proteomic studies have shown that the PRRSV NSP2 protein interacts with tripartite motif protein 4 (TRIM4), but it was still unknown whether TRIM4 regulates PRRSV infections. In this study, the TRIM4 gene from Marc-145 cells was cloned, and it was proved that TRIM4 overexpression inhibits PRRSV replication, whereas TRIM4 small-interfering-RNA knockdown resulted in increased virus titers. Mechanism investigation indicated that TRIM4 inhibits PRRSV replication through ubiquitination and degradation of the NSP2 protein. Protease inhibitor MG132 (carbobenzoxy-Leu-Leu-leucinal) attenuated the TRIM4-driven degradation of NSP2. Taken together, TRIM4 impairs PRRSV proliferation via ubiquitination and degradation of NSP2.
Subject(s)
Porcine respiratory and reproductive syndrome virus , Animals , Antiviral Agents , Cell Proliferation , Proteomics , Swine , Ubiquitination , Virus ReplicationABSTRACT
Retinoid-related orphan receptor γt (RORγt), a vital transcription factor for the differentiation of the pro-inflammatory Th17 cells, is essential to the inflammatory response and pathological process mediated by Th17 cells. Pharmacological inhibition of the nuclear receptor RORγt provides novel immunomodulators for treating Th17-driven autoimmune diseases and organ transplant rejection. Here, we identified 2,2',4'-trihydroxychalcone (TDC), a natural chalcone derivant, binds directly to the ligand binding domain (LBD) of RORγt and inhibited its transcriptional activation activity. Using three mice models of Th17-related diseases, it was found that the administration of TDC effectively alleviated the disease development of experimental autoimmune encephalomyelitis (EAE), experimental colitis, and skin allograft rejection. Collectively, these results demonstrated TDC targeting RORγt to suppress Th17 cell polarization, as well as its activity, thus, indicating the potential of this compound in treating of Th17-related autoimmune disorders and organ transplant rejection disorders.
Subject(s)
Encephalomyelitis, Autoimmune, Experimental , Nuclear Receptor Subfamily 1, Group F, Member 3 , Mice , Animals , Th17 Cells , Encephalomyelitis, Autoimmune, Experimental/pathology , Cell Differentiation , Disease ProgressionABSTRACT
Two-dimensional transition metal dichalcogenides (TMDCs) are promising in spintronics due to their spin-orbit coupling, but their intrinsic non-magnetic properties limit their further development. Here, we focus on the energy landscapes of TMDC (MX2, M = Mo, W and X = S, Se, Te) monolayers by rhenium (Re) substitution doping under axial strains, which controllably drive 1H â 1Td structural transformations. For both 1H and 1Td phases without strain, Re-doped TMDCs have an n-type character and are non-magnetic, but the tensile strain could effectively induce and modulate the magnetism. Specifically, 1H-Re0.5Mo0.5S2 gets a maximum magnetic moment of 0.69 µB at a 6% uniaxial tensile strain along the armchair direction; along the zigzag direction it exhibits a significant magnetic moment (0.49 µB) at a 2.04% uniaxial tensile strain but then exhibits no magnetism in the range of [5.10%, 7.14%]. By contrast, for 1Td-Re0.5Mo0.5S2 a critical uniaxial tensile strain along the zigzag direction reaches up to â¼9.18%, and a smaller uniaxial tensile strain (â¼5.10%) along the zigzag direction is needed to induce the magnetism in 1Td-Re0.5M0.5Te2. The results reveal that the magnetism of Re-doped TMDCs could be effectively induced and modulated by the tensile strain, suggesting that strain engineering could have significant applications in doped TMDCs.
ABSTRACT
NLRC3, a member of the NLR family, has been reported as a negative regulator of inflammatory signaling pathways in innate immune cells. However, the direct role of NLRC3 in modulation of CD4+ T-cell responses in infectious diseases has not been studied. In the present study, we showed that NLRC3 plays an intrinsic role by suppressing the CD4+ T cell phenotype in lung and spleen, including differentiation, activation, and proliferation. NLRC3 deficiency in CD4+ T cells enhanced the protective immune response against Mycobacterium tuberculosis infection. Finally, we demonstrated that NLRC3 deficiency promoted the activation, proliferation, and cytokine production of CD4+ T cells via negatively regulating the NF-κB and MEK-ERK signaling pathways. This study reveals a critical role of NLRC3 as a direct regulator of the adaptive immune response and its protective effects on immunity during M. tuberculosis infection. Our findings also suggested that NLRC3 serves as a potential target for therapeutic intervention against tuberculosis.
Subject(s)
CD4-Positive T-Lymphocytes/pathology , Immunity/genetics , Intercellular Signaling Peptides and Proteins/physiology , Mycobacterium tuberculosis/immunology , Tuberculosis/immunology , Animals , CD4 Lymphocyte Count , CD4-Positive T-Lymphocytes/physiology , Cells, Cultured , Down-Regulation/genetics , Down-Regulation/immunology , Female , Male , Mice , Mice, Inbred C57BL , Mice, Knockout , Tuberculosis/genetics , Tuberculosis/pathologyABSTRACT
Bashang long-tail chickens are an indigenous breed with dual purpose in China (meat and eggs) but have low egg laying performance. To improve the low egg laying performance, a genome-wide analysis of mRNAs and long noncoding RNAs (lncRNAs) from Bashang long-tail chickens and Hy-Line brown layers was performed. A total of 16,354 mRNAs and 8691 lncRNAs were obtained from ovarian follicles. Between the breeds, 160 mRNAs and 550 lncRNAs were found to be significantly differentially expressed. Integrated network analysis suggested some differentially expressed genes were involved in ovarian follicular development through oocyte meiosis, progesterone-mediated oocyte maturation, and cell cycle. The impact of lncRNAs on cis and trans target genes, indicating some lncRNAs may play important roles in ovarian follicular development. The current results provided a catalog of chicken ovarian follicular lncRNAs and genes for further study to understand their roles in regulation of egg laying performance.
Subject(s)
Chickens/genetics , Gene Regulatory Networks , Genome , Ovarian Follicle/metabolism , RNA, Long Noncoding/genetics , RNA, Messenger/genetics , Animals , Chickens/classification , China , Female , Gene Expression Profiling , Ovarian Follicle/cytologyABSTRACT
In Mycobacterium tuberculosis-infected macrophages, cyclooxygenase-2 (COX-2) expression considerably increases to defend the body against mycobacteria by regulating adaptive immunity and restoring the mitochondrial inner membrane. Moreover, in cancer cells, COX-2 enhances the autophagy machinery, an important bactericidal mechanism. However, the association between M. tuberculosis-induced COX-2 and autophagy-mediated antimycobacterial response has not been explored. Here, COX-2 expression silencing reduced the autophagy and bactericidal activity against intracellular M. tuberculosis, while COX-2 overexpression reversed the above effects. In addition, enhancement of bactericidal activity was suppressed by inhibiting autophagy in COX-2-overexpressing cells, indicating that COX-2 accelerated mycobacterial elimination by promoting autophagy. Furthermore, the regulatory effects of COX-2 on autophagy were mediated by its catalytic products, which functioned through inhibiting the protein kinase B/mammalian target of rapamycin pathway. Thus, COX-2 contributes to host defense against mycobacterial infection by promoting autophagy, establishing the basis for development of novel therapeutic agents against tuberculosis by targeting COX-2.
Subject(s)
Cyclooxygenase 2/metabolism , Mycobacterium tuberculosis/physiology , Proto-Oncogene Proteins c-akt/metabolism , Signal Transduction/physiology , TOR Serine-Threonine Kinases/metabolism , Animals , Autophagy , Gene Expression Regulation, Enzymologic , Glyceraldehyde-3-Phosphate Dehydrogenase (Phosphorylating)/genetics , Glyceraldehyde-3-Phosphate Dehydrogenase (Phosphorylating)/metabolism , Macrophages/metabolism , Mice , Microbial Viability , Prostaglandins/metabolism , Proto-Oncogene Proteins c-akt/genetics , RAW 264.7 CellsABSTRACT
Porcine 2',5'-oligoadenylate synthetase-like protein is an essential antiviral protein induced by interferons; however, its bioinformatics, genetic characteristics and immunological characteristics related to porcine reproductive and respiratory syndrome virus are still unknown. In this study, porcine 2',5'-oligoadenylate synthetase-like protein was cloned, and various attributes were predicted by bioinformatics analysis. Through RNAi depletion and overexpression methods, it was determined that porcine OASL not only inhibits porcine reproductive and respiratory virus replication but also activates interferon-beta production and the interferon-beta promoter, promoting the expression of interferon-beta mRNA. Through the depletion of different amino acids at the N and C termini, the antiviral activity and promoting the activity of interferon beta were evaluated. The results demonstrated that 31-60 amino acids at the N terminus were critical for virus replication. This study laid a theoretical foundation for exploring the characteristics of the porcine 2',5'-oligoadenylate synthetase-like protein and suggested a new strategy for the prevention and control of porcine reproductive and respiratory syndrome virus and investigation of the therapeutic mechanism of this protein.
Subject(s)
2',5'-Oligoadenylate Synthetase/metabolism , Antiviral Agents/metabolism , Host-Pathogen Interactions , Immunologic Factors/metabolism , Porcine Reproductive and Respiratory Syndrome/pathology , Porcine respiratory and reproductive syndrome virus/immunology , 2',5'-Oligoadenylate Synthetase/genetics , Animals , Cloning, Molecular , Gene Expression , Gene Silencing , Immunologic Factors/genetics , Interferon-beta/biosynthesis , SwineABSTRACT
Motor vehicle ammonia (NH3) emissions have attracted increasing attention for their potential to form secondary aerosols in urban atmospheres. However, vehicle NH3 emission factors (EFs) remain largely unknown due to a lack of measurements. Thus, we conducted detailed measurements of NH3 emissions from 18 Euro 2 to Euro 5 light-duty gasoline vehicles (LDGVs) in Shanghai, China. The distance- and fuel-based NH3 EFs average 29.2 ± 24.1 mg·km-1 and 0.49 ± 0.41 g·kg-1, respectively. The average NH3-to-CO2 ratio is 0.41 ± 0.34 ppbv·ppmv-1. The measurements reveal that NH3 emissions from LDGVs are strongly correlated with both vehicle specific power (VSP) and the modified combustion efficiency (MCE); these relationships were used to predict LDGV NH3 EFs via a newly developed model. The predicted LDGV NH3 EFs under urban and highway driving cycles are 23.3 mg·km-1 and 84.5 mg·km-1, respectively, which are consistent with field measurements. The NH3 EF has decreased by 32% in average since the implementation of vehicle emission control policies in China five years ago. The model presented herein more accurately predicts LDGV NH3 emissions, contributing substantially to the compilation of NH3 emission inventories and prediction of future motor vehicle emissions in China.
Subject(s)
Air Pollutants , Gasoline , Ammonia , China , Motor Vehicles , Vehicle EmissionsABSTRACT
TWIST protein is critical to development and is activated in many cancers. TWIST regulates epithelial-mesenchymal transition, and is linked to angiogenesis, metastasis, cancer stem cell phenotype, and drug resistance. The majority of epithelial ovarian cancer (EOC) patients with metastatic disease respond well to first-line chemotherapy but most relapse with disease that is both metastatic and drug resistant, leading to a five-year survival rate under 20%. We are investigating the role of TWIST in mediating these relapses. We demonstrate TWIST-siRNA (siTWIST) and a novel nanoparticle delivery platform to reverse chemoresistance in an EOC model. Hyaluronic-acid conjugated mesoporous silica nanoparticles (MSN-HAs) carried siTWIST into target cells and led to sustained TWIST knockdown in vitro. Mice treated with siTWIST-MSN-HA and cisplatin exhibited specific tumor targeting and reduction of tumor burden. This platform has potential application for overcoming clinical challenges of tumor cell targeting, metastasis and chemoresistance in ovarian and other TWIST overexpressing cancers.
Subject(s)
Cisplatin/therapeutic use , Hyaluronic Acid/chemistry , Nanoparticles/chemistry , Ovarian Neoplasms/drug therapy , RNA, Small Interfering/chemistry , Animals , Blotting, Western , Cell Line, Tumor , Female , Humans , Mice , Microscopy, Confocal , Microscopy, Fluorescence , Ovarian Neoplasms/metabolism , RNA, Small Interfering/administration & dosage , Tumor Burden/drug effects , Twist Transcription Factors/genetics , Twist Transcription Factors/metabolismABSTRACT
Absence of effective therapeutic methods for avascular necrosis of femoral head (ANFH) is still perplexing the world's medical community. Bone marrow mesenchymal stem cells (BMSCs) adoptive cell therapy combined with core decompression is a promising modality, which is highly dependent on the cellular activities of BMSCs. Hepatocyte growth factor (HGF) is a survival factor for BMSCs, yet the underlying mechanism is not fully elucidated. In this study, the effects of multiplicity of infections (MOIs) of recombinant adenovirus carrying HGF gene (rAd-HGF) on human BMSC proliferation and osteogenic differentiation were systemically examined. Infection of rAd-HGF produced secretory HGF and promoted hBMSC proliferation in a MOI-dependent manner, while the osteogenesis was also strengthened as indicated by enhanced calcium nodule formation with the strongest effects achieved at MOI = 250. Blocking the activities of c-MET or its downstream signaling pathways, WNT, ERK1/2, and PI3K/AKT led to differential consequents. Specifically, blockage of the WNT pathway significantly promoted osteogenic differentiation, which also showed additive effects when combined application with rAd-HGF. Our data demonstrated the pro-osteogenic effects of optimized MOIs of rAd-HGF, while inhibition of WNT pathway or activation of PI3K/AKT pathway may act as candidate adjuvant modalities for promoting osteogenic differentiation in rAd-HGF-modified hBMSC treatment on ANFH.
Subject(s)
Cell Differentiation , Cell Proliferation , Hepatocyte Growth Factor/genetics , Mesenchymal Stem Cells/cytology , Osteoblasts/cytology , Adenoviridae/genetics , Bone Marrow Cells/cytology , Bone Marrow Cells/metabolism , Cells, Cultured , Genetic Vectors/genetics , Hepatocyte Growth Factor/metabolism , Humans , MAP Kinase Signaling System , Mesenchymal Stem Cells/metabolism , Osteoblasts/metabolism , Wnt Signaling PathwayABSTRACT
An interferon-mediated antiviral protein, 2'-5' oligoadenylate synthetase 2, plays an important role in the antiviral response of interferons. In this study, 2'-5' oligoadenylate synthetase 2 genes were cloned from Chinese domestic pigs. Bioinformatics analysis revealed that the 2024-bp long open reading fame encodes 707 amino acids. There are two conserved regions in this protein: the nucleotidyltransferase domain, and the 2'-5' oligoadenylate synthetase domain (OAS). Genetic evolution analysis showed that the 2'-5' oligoadenylate synthetase 2 gene in domestic pigs is closely related to that of cattle. There are multiple antigenic sites, no signal peptide, and no transmembrane region in the gene, which is predicted to be a hydrophilic protein. Secondary structures were found to be mainly alpha helix-based; its tertiary structure is close to that of humans and cattle, but not that of mice. Tissue distribution results indicated that this protein is distributed in multiple organs, with high distribution in the liver; it is mainly localized in the cytoplasm. PRRSV infection, interferon-beta, and Poly(I: C) treatment all promoted 2'-5' oligoadenylate synthetase 2 gene expression. Overexpression and RNA silencing of porcine OAS2 inhibited and promoted PRRSV replication in cells, respectively. The inhibitory effect of porcine OAS2 was mainly dependent on RNase L, similar to what was predicted. This study has laid the foundation for future antiviral studies in pig, and provided a new way of preventing and treating PRRSV in the future.
ABSTRACT
A gate electrode is usually used to controllably tune the carrier concentrations, further modulating the electrical conductivity and the Seebeck coefficient to obtain the optimum thermoelectric figure of merit (ZT) in two-dimensional materials. On the other hand, it is necessary to investigate how an electric field induced by a gate voltage affects the electronic structures, further determining the thermoelectric properties. Therefore, by using density functional calculations in combination with Boltzmann theory, the thermoelectric properties of bilayer MX2 (M = W, Mo; X = S, Se) with or without a 1 V nm-1 perpendicular electric field are comparatively investigated. First of all, the variations of the electrical conductivity (σ), electron thermal conductivity and Seebeck coefficient (S) with the carrier concentration are studied. Due to the trade-off relationship between S and σ, there is an optimum concentration to obtain the maximum ZT, which increases with the temperature due to the enhancement of the Seebeck coefficient. Moreover, N-type bilayers have larger optimum ZTs than P-type bilayers. In addition, the electric field results in the increase of the Seebeck coefficient in low hole-doped MS2 bilayers and high hole-doped MSe2 bilayers, thus leading to similar variations in ZT. The optimum ZTs are reduced from 2.11 × 10-2, 3.19 × 10-2, 2.47 × 10-2, and 2.58 × 10-2 to 1.57 × 10-2, 1.51 × 10-2, 2.08 × 10-2, and 1.43 × 10-2 for the hole-doped MoS2, MoSe2, and WSe2 bilayers, respectively. For N-type bilayers, the electric field shows a destructive effect, resulting in the obvious reduction of the Seebeck coefficient in the MSe2 layers and the low electron-doped MS2 bilayers. In electron-doped bilayers, the optimum ZTs will decrease from 3.03 × 10-2, 6.64 × 10-2, and 6.69 × 10-2 to 2.81 × 10-2, 3.59 × 10-2, and 4.39 × 10-2 for the MoS2, MoSe2, and WSe2 bilayers, respectively.
ABSTRACT
Epithelial ovarian cancer (EOC) is the most deadly gynecologic malignancy on account of its late stage at diagnosis and frequency of drug resistant recurrences. Novel therapies to overcome these barriers are urgently needed. TWIST is a developmental transcription factor reactivated in cancers and linked to angiogenesis, metastasis, cancer stem cell phenotype, and drug resistance, making it a promising therapeutic target. In this work, we demonstrate the efficacy of TWIST siRNA (siTWIST) and two nanoparticle delivery platforms to reverse chemoresistance in EOC models. Polyamidoamine dendrimers and mesoporous silica nanoparticles (MSNs) carried siTWIST into target cells and led to sustained TWIST knockdown in vitro. Mice treated with cisplatin plus MSN-siTWIST exhibited lower tumor burden than mice treated with cisplatin alone, with most of the effect coming from reduction in disseminated tumors. This platform has potential application for overcoming the clinical challenges of metastasis and chemoresistance in EOC and other TWIST overexpressing cancers.
Subject(s)
Nanoparticles/chemistry , Neoplasms, Glandular and Epithelial/therapy , Ovarian Neoplasms/therapy , RNA, Small Interfering/administration & dosage , RNA, Small Interfering/therapeutic use , RNAi Therapeutics/methods , Silicon Dioxide/chemistry , Twist-Related Protein 1/genetics , Animals , Carcinoma, Ovarian Epithelial , Cell Line, Tumor , Dendrimers/chemistry , Female , Humans , Mice , Mice, Inbred NOD , Nanoparticles/ultrastructure , Neoplasms, Glandular and Epithelial/genetics , Neoplasms, Glandular and Epithelial/pathology , Ovarian Neoplasms/genetics , Ovarian Neoplasms/pathology , Ovary/metabolism , Ovary/pathology , Porosity , RNA, Small Interfering/geneticsABSTRACT
Tuberculosis (TB) and human immunodeficiency virus type 1 (HIV-1) infection are closely intertwined, with one-quarter of TB/HIV coinfected deaths among people died of TB. Effector CD8(+) T cells play a crucial role in the control of Mycobacterium tuberculosis (MTB) and HIV-1 infection in coinfected patients. Adoptive transfer of a multitude of effector CD8(+) T cells is an appealing strategy to impose improved anti-MTB/HIV-1 activity onto coinfected individuals. Due to extensive existence of heterologous immunity, that is, T cells cross-reactive with peptides encoded by related or even very dissimilar pathogens, it is reasonable to find a single T cell receptor (TCR) recognizing both MTB and HIV-1 antigenic peptides. In this study, a single TCR specific for both MTB Ag85B199-207 peptide and HIV-1 Env120-128 peptide was screened out from peripheral blood mononuclear cells of a HLA-A*0201(+) healthy individual using complementarity determining region 3 spectratype analysis and transferred to primary CD8(+) T cells using a recombinant retroviral vector. The bispecificity of the TCR gene-modified CD8(+) T cells was demonstrated by elevated secretion of interferon-γ, tumour necrosis factor-α, granzyme B and specific cytolytic activity after antigen presentation of either Ag85B199-207 or Env120-128 by autologous dendritic cells. To the best of our knowledge, this study is the first report proposing to produce responses against two dissimilar antigenic peptides of MTB and HIV-1 simultaneously by transfecting CD8(+) T cells with a single TCR. Taken together, T cells transduced with the additional bispecific TCR might be a useful strategy in immunotherapy for MTB/HIV-1 coinfected individuals.
Subject(s)
CD8-Positive T-Lymphocytes/immunology , Epitopes/immunology , HIV-1/immunology , Mycobacterium tuberculosis/immunology , Receptors, Antigen, T-Cell/immunology , Transduction, Genetic , Amino Acid Sequence , Antigens/immunology , Antigens, CD/metabolism , Antigens, Differentiation, T-Lymphocyte/metabolism , Base Sequence , Cytotoxicity, Immunologic , Genetic Vectors/metabolism , Humans , Interferon-gamma/metabolism , Lectins, C-Type/metabolism , Peptides/immunology , Receptors, Antigen, T-Cell/chemistry , Receptors, Antigen, T-Cell/genetics , Tumor Necrosis Factor-alpha/metabolismABSTRACT
Density functional calculations have been performed to analyze the electronic and mechanical properties of a number of 2D boroxine-linked covalent organic frameworks (COFs), which are experimentally fabricated from di-borate aromatic molecules. Furthermore, the band structures are surprising and show flat-band characteristics which are mainly attributed to the delocalized π-conjugated electrons around the phenyl rings and can be better understood within aromaticity theories. Next, the effects of branch sizes and hydrostatic strains on their band structures are systematically considered within generalized gradient approximations. It is found that their band gaps will start to saturate when the branch size reaches 9. For boroxine-linked COFs with only one benzene ring in the branch, the band gap is robust under compressive strain while it decreases with the tensile strain increasing. When the branch size is equal or greater than 2, their band gaps will monotonously increase with the strain increasing in the range of [-1.0, 2.0] Å. All boroxine-linked COFs are semiconductors with controllable band gaps, depending on the branch length and the applied strain. In comparison with other 2D materials, such as graphene, hexagonal boron nitride, and even γ-graphyne, all boroxine-linked COFs are much softer and even more stable. That is, they can maintain the planar features under a larger compressive strain, which means that they are good candidates in flexible electronics.
ABSTRACT
This study is built on density functional calculations in combination with the non-equilibrium Green's function, and we probe the thermoelectric transport mechanisms through C60 molecules anchored to Al nano-electrodes in three different ways, such as, the planar, pyramidal, and asymmetric surfaces. When the electrode is switched from the planar and pyramidal surfaces, the electrical conductance (σ) and electron's thermal conductance (κel) decrease almost two orders of magnitude due to the reduction of the molecule-electrode contact coupling, whereas the Seebeck coefficients (S) are reduced by â¼55%. Furthermore, the maximum electron's thermoelectric figure of merit (ZelT = S2σT/κel, assuming a vanishing phonon's thermal conductance) is about 0.12 in the asymmetric junction. In particular, all σ, S, κel, and ZelT increase along with the average temperature (T) in all C60-junctions, although their growth is really quite negligible in the pyramidal junction because the Fermi level is far away from the frontier orbitals. In addition, when the strain increases from the compressive (-1.0 Å) to tensile (1.0 Å) strain, the Seebeck coefficient in the planar junction increases drastically, while the Seebeck coefficients in the asymmetric and pyramidal junctions reach their maximum values at 0.2 Å tensile and -0.4 Å compressive strains, respectively. This is because the Seebeck coefficient is inversely proportional to the magnitudes and proportional to the slopes of the transmission spectrum around the Fermi level. Finally, it is found that the shift of the Fermi level is an effective scheme to obtain the maximum ZelT of any molecular junction, including fullerene-based junctions.
ABSTRACT
Sb2Te3 films are used for studying the epitaxial registry between two-dimensionally bonded (2D) materials and three-dimensional bonded (3D) substrates. In contrast to the growth of 3D materials, it is found that the formation of coincidence lattices between Sb2Te3 and Si(111) depends on the geometry and dangling bonds of the reconstructed substrate surface. Furthermore, we show that the epitaxial registry can be influenced by controlling the Si(111) surface reconstruction and confirm the results for ultrathin films.
ABSTRACT
Social media platforms play a significant role in the lives of young people. While the usage of these platforms has grown, research exploring the challenges of body image remains limited. This study investigated whether initiating negative body talk functioned as an indirect pathway between appearance comparison on social media and body shame and whether perceived sociocultural influences from parents, friends, and media on body image moderated this indirect effect. An online cross-sectional survey of 795 Chinese college students (Mage = 20.17, SD = 1.65; 60% female, 40% male) was conducted. Negative body talk was a partial indirect pathway in the association, and this indirect effect was significant among those experiencing higher sociocultural pressures from all three sources. This study highlights the need for health psychology in understanding and addressing the mental health consequences associated with digital media and sociocultural influences on body image perception.