Phenethylammonium bromide interlayer for high-performance red quantum-dot light emitting diodes.

Interfacial modification is vital to boost the performance of colloidal quantum-dot light-emitting diodes (QLEDs). We introduce phenethylammonium bromide (PEABr) as an interlayer to reduce the trap states and exciton quenching at the interface between the emitting layer (EML) with CdSe/ZnS quantum-dots and the electron transport layer (ETL) with ZnMgO. The presence of PEABr separates the EML and the ETL and thus passivates the surface traps of ZnMgO. Moreover, the interfacial modification also alleviates electron injection, leading to more improved carrier injection balance. Consequently, the external quantum efficiency of the PEABr-based red QLED reached 27.6%, which outperformed those of the previously reported devices. Our results indicate that the halide ion salts are promising to balance charge carrier injection and reduce exciton quenching in the QLEDs.

Insight into Air Degradation of Inverted Perovskite Solar Cells with Different Cathode Interlayers.

Air stability is a big challenge for inverted perovskite solar cells (IPVSCs). We focus on effect of a cathode interlayer (BCP or TOASiW12) on air degradation of IPVSCs with an Al or Ag cathode. Combined measurements have been carried out to check the changes of the device electrical performance with exposure to air. Our results demonstrated that the IPVSCs with BCP/Al suffered an overall deterioration in terms of dissociation of excitons, transport, and extraction of charge carriers, which was accompanied by improved trap density and serious trap-induced recombination when exposed to air. Instead, all the electrical characteristics of the IPVSCs with TOASiW12/Al, BCP/Ag and TOASiW12/Ag remained stable or slightly reduced after exposed to air over 2 days. This work provides new insight into the air aging of IPVSCs and facilitates the development of CIL materials for cost-effective IPVSCs.

Enriching 2D transition metal borides via MB XMenes (M = Fe, Co, Ir): Strong correlation and magnetism.

Recently, two-dimensional (2D) FeSe-like anti-MXenes (or XMenes), composed of late d-block transition metal M and p-block nonmetal X elements, have been both experimentally and theoretically investigated. Here, we select three 2D borides FeB, CoB and IrB for a deeper investigation by including strong correlation effects, as a fertile ground for understanding and applications. Using a combination of Hubbard corrected first-principles calculations and Monte Carlo simulations, FeB and CoB are found to be ferro- and anti-ferro magnetic, contrasting with the non-magnetic nature of IrB. The metallic FeB XMene monolayer, superior to most of the MXenes or MBenes, exhibits robust ferromagnetism, driven by intertwined direct-exchange and super-exchange interactions between adjacent Fe atoms. The predicted Curie temperature (TC) of the FeB monolayer via the Heisenberg model reaches an impressive 425 K, with the easy-axis oriented out-of-plane and high magnetic anisotropic energy (MAE). The asymmetry in the spin-resolved transmission spectrum induces a thermal spin current, providing an opportunity for spin filtration. This novel 2D FeB material is expected to hold great promise as an information storage medium and find applications in emerging spintronic devices.

Quantum Chemical Simulations of CO2 and N2 Capture in Reline, a Prototypical Deep Eutectic Solvent.

Deep eutectic solvents such as reline are an emerging class of low-cost, environmentally friendly solvents with tunable properties that are potentially applicable for the capture and separation of CO2. Experimental measurements showed that a reline-based membrane contactor can capture and separate CO2 via physisorption through a dissolution process with 96.7% purity from a mixed gas containing CO2 and N2 (50:50% molar ratio). We examine the nature of the interaction of CO2 and N2 with reline employing quantum chemical methods. We focus on explaining the mechanism by which CO2 and N2 bind to reline and the reason for the high selectivity for absorption of CO2 compared to N2. We analyze the dynamics, energetics, and binding motifs for CO2 and N2 in reline employing density functional theory, density functional tight binding, and ab initio molecular dynamics. We also investigate the effect of reline on the vibrational spectra of CO2 and reline. Our simulations indicate that the selective capture of CO2 from the mixture of CO2 and N2 is due to the interplay between attractive electrostatic and charge polarization forces with opposing entropic effects, which shift the energetic balance and make the N2 absorption unfavorable in reline.

Solution-Processed Large-Area Organic/Inorganic Hybrid Antireflective Films for Perovskite Solar Cell.

In recent years, organic/inorganic hybrid materials have attracted much attention in the field of multilayer antireflection films because of their excellent optical properties. In this paper, the organic/inorganic nanocomposite was prepared from polyvinyl alcohol (PVA) and titanium (IV) isopropoxide (TTIP). The hybrid material has a wide, tunable window of refractive index, i.e., 1.65-1.95, at a wavelength of 550 nm. The atomic force microscope (AFM) results of the hybrid films show the lowest root-mean-square surface roughness of 2.7 Å and a low haze of 0.23%, indicating that the films have good potential for optical applications. The double-sided antireflection films (10 × 10 cm2) with one side of hybrid nanocomposite/cellulose acetate and the other side of hybrid nanocomposite /polymethyl methacrylate (PMMA) achieved high transmittances of 98% and 99.3%, respectively. After 240 days of aging testing, the hybrid solution and the antireflective film remained stable with almost no attenuation. Furthermore, the application of the antireflection films in perovskite solar cell modules increased the power conversion efficiency from 16.57% to 17.25%.

Diagnostic Potential of the Serum lncRNAs HOTAIR, BRM and ICR for Hepatocellular Carcinoma.

BACKGROUND: Long noncoding RNAs (lncRNAs) are closely associated with the initiation, progression, metastasis, and recurrence of hepatocellular carcinoma (HCC). They could therefore serve as markers for the early diagnosis and for the prognosis of HCC patients. METHODS: This was an observational prospective cohort study. A total of 101 participants were included, comprising patients with HCC (n = 61), liver cirrhosis (LC) (n = 20), or healthy controls (HC) (n = 20). The baseline characteristics of participants in each group were compared. Serum levels of the lncRNAs HOTAIR, BRM and ICR were determined in each group by reverse transcription and quantitative real-time polymerase chain reaction (qRT-PCR). Correlations between the serum levels of the three lncRNAs and multiple clinical parameters were analysed. The receiver operating characteristic (ROC) curve was used to assess the diagnostic potential for HCC of each lncRNA individually, or in combination with AFP. Multivariate Cox regression analysis was used to evaluate the accuracy of these lncRNAs for predicting the outcome and survival of HCC patients. RESULTS: The serum levels of HOTAIR, BRM and ICR were significantly higher in HCC patients compared to LC patients and healthy subjects. The HOTAIR level was positively correlated to tumour-node metastasis (TNM), Barcelona Clinic Liver Cancer (BCLC) stage, extrahepatic metastasis, vascular invasion, portal vein tumour thrombus (PVTT), and tumour size. The BRM level was positively associated with TNM stage, BCLC stage, vascular invasion, PVTT, and tumour size, while the ICR level was positively correlated with PVTT. A combination of the three lncRNAs and AFP showed the highest diagnostic accuracy for HCC, with an AUC of 0.998, sensitivity of 98.4%, and specificity of 100.0%. This combination showed a better diagnostic accuracy than the individual lncRNAs or AFP alone. Serum levels of the HOTAIR and ICR lncRNAs decreased significantly following surgery. CONCLUSIONS: Serum levels of the HOTAIR, BRM and ICR lncRNAs are potential prognostic markers for HCC. Upregulation of HOTAIR, BRM and ICR may facilitate early diagnosis and indicate poor prognosis for HCC. These lncRNAs could potentially serve as therapeutic targets for HCC. Combination of the three lncRNAs with AFP may increase the diagnostic accuracy for HCC. Further studies in larger cohorts of patients are needed to validate these findings.

Highly Efficient Perovskite Solar Cell Based on PVK Hole Transport Layer.

A π-conjugated small molecule N, N'-bis(naphthalen-1-yl)-N, N'-bis(phenyl)benzidine (NPB) was introduced into poly(9-vinylcarbazole) (PVK) as a hole transport layer (HTL) in inverted perovskite solar cells (PSCs). The NPB doping induces a better perovskite crystal growth, resulting in perovskite with a larger grain size and less defect density. Thus, the VOC, JSC, and FF of the PSC were all enhanced. Experimental results show that it can be ascribed to the reduction of surface roughness and improved hydrophilicity of the HTL. The effect of NPB on the aggregation of PVK was also discussed. This work demonstrates the great potential of PVK as the HTL of PSCs and provides an attractive alternative for HTL to realize high-efficiency PSCs.

A multi-source information fusion approach in tunnel collapse risk analysis based on improved Dempster-Shafer evidence theory.

The tunneling collapse is the main engineering hazard in the construction of the drilling-and-blasting method. The accurate assessment of the tunneling collapse risk has become a key issue in tunnel construction. As for assessing the tunneling collapse risk and providing basic risk controlling strategies, this research proposes a novel multi-source information fusion approach that combines Bayesian network (BN), cloud model (CM), support vector machine (SVM), Dempster-Shafer (D-S) evidence theory, and Monte Carlo (MC) simulation technique. Those methods (CM, BN, SVM) are used to analyze multi-source information (i.e. statistical data, physical sensors, and expert judgment provided by humans) respectively and construct basic probability assignments (BPAs) of input factors under different risk states. Then, these BPAs will be merged at the decision level to achieve an overall risk evaluation, using an improved D-S evidence theory. The MC technology is proposed to simulate the uncertainty and randomness of data. The novel approach has been successfully applied in the case of the Jinzhupa tunnel of the Pu-Yan Highway (Fujian, China). The results indicate that the developed new multi-source information fusion method is feasible for (a) Fusing multi-source information effectively from different models with a high-risk assessment accuracy of 98.1%; (b) Performing strong robustness to bias, which can achieve acceptable risk assessment accuracy even under a 20% bias; and (c) Exhibiting a more outstanding risk assessment performance (97.9% accuracy) than the single-information model (78.8% accuracy) under a high bias (20%). Since the proposed reliable risk analysis method can efficiently integrate multi-source information with conflicts, uncertainties, and bias, it provides an in-depth analysis of the tunnel collapse and the most critical risk factors, and then appropriate remedial measures can be taken at an early stage.

Dynamic risk evaluation method for collapse disasters of drill-and-blast tunnels: a case study.

The tunnel collapse is one of the most frequent and harmful geological hazards during the construction of highway rock tunnels. As for reducing the occurrence probability of tunnel collapse, a new dynamic risk assessment methodology for the tunnel collapse was established, which combines the Cloud model (CM), the Membership function, and the Bayesian network (BN). During the preparation phase, tunnel collapse risk factors are identified and an index system is constructed. Then, the proposed novel assessment method is used to evaluate the probability of tunnel collapse risk for on-site construction. The probability of tunnel collapse risk in the dynamic process of construction can provide real-time guidance for tunnel construction. Moreover, a typical case study of the Yutangxi tunnel is performed, which belongs to the Pu-Yan Highway Project (Fujian, China). The results show that the dynamic evaluation model is well validated and applied. The risk value of tunnel collapse in a construction cycle is predicted successfully, and on-site construction is guided to reduce the occurrence of tunnel collapse. Besides, it also proves the feasibility of the dynamic evaluation method and its application potential.

Novel Mg-Incorporated Micro-Arc Oxidation Coatings for Orthopedic Implants Application.

In this study, Ti-6Al-4V alloy samples were processed by micro-arc oxidation (MAO) in phytic acid (H12Phy) electrolytes with the addition of different concentrations of EDTA-MgNa2 (Na2MgY) and potassium hydroxide (KOH). The surface characterization and cytocompatibility of MAO-treated samples were evaluated systematically. H12Phy is a necessary agent for MAO coating formation, and the addition of Na2MgY and KOH into the electrolytes increases the surface roughness, micropore size and Mg contents in the coatings. The MAO coatings are primarily composed of anatase, rutile, MgO and Mg3(PO4)2. Magnesium (Mg) ions in the electrolytes enter into MAO coatings by diffusion and electromigration. The MAO coatings containing 2.97 at% Mg show excellent cell viability, adhesion, proliferation, alkaline phosphatase activity, extracellular matrix (ECM) mineralization and collagen secretion, but the cytocompatibility of the MAO coatings containing 6.82 at% Mg was the worst due to the excessively high Mg content. Our results revealed that MAO coatings with proper Mg contents improve the cytocompatibility of the Ti-6Al-4V alloys and have large potential in orthopedic applications.

The Antitumor Activity of CAR-T-PD1 Cells Enhanced by HPV16mE7-Pulsed and SOCS1-Silenced DCs in Cervical Cancer Models.

BACKGROUND: Genetically T cells modified with cancer-specific chimeric antigen receptors (CARs) showed great promise in mediate tumor regression, especially in patients with advanced leukemia. However, the therapeutic effect against solid tumors is not as prominent as anticipated to exhibit potent antitumor efficacy. The underlying mechanism maybe attributed to the inhibitory co-stimulatory pathways such as (PD1/PDL1), which provide tumor cells an escape mechanism from immunosurveillance. Therefore, by exchanging the transmembrane and cytoplasmic tail of PD1 with positive costimulatory molecules, such as CD28 and 4-1BB signaling domains (PD1-CD28-4-1BB, PD1-CAR), the T cell-negative co-stimulatory PD1/PDL1 signal pathway was thus converted into a positive one. This study aimed to investigate whether the genetically modified CAR-T-PD1 cells activated by SOCS1 silenced DCs have enhanced anti-neoplastic potential in vitro/in vivo. METHODS: In order to enhance the antigenicity and reduce transformation activity, a modified HPV16 E7 (HPV16mE7) was employed to load on dendritic cells (DCs) with SOCS1 silenced to improve its antitumor efficiency and targeting ability against cervical cancer. The CAR-T-PD1 cells activated by the generated DCs were transfused into murine models bearing tumor of CaSki cells that expressing PDL1 and HPV16 E6/E7 for in vitro/in vivo antitumor activity assay. RESULTS: The data showed that DC-activated CAR-T-PD1 cells significantly increased the secretion of IL-2, IFN-γ and TNF-α, whilst enhanced cytotoxic activity, suppressed tumor growth and prolong the survival time compared with the controls. CONCLUSION: These results indicated that the genetically engineered T cells activated by DCs had improved antitumor efficiency and targeting ability. Furthermore, it was suggested that it may have important implications for the improvement of T cell immunotherapy against cervical cancer.

The status of WIF1 methylation in cell-free DNA is associated with the insusceptibility for gefitinib in the treatment of lung cancer.

BACKGROUND: Targeted cancer therapy has shed light on the treatment of tumor, especially for patients with non-small cell lung cancer. However, only a limited portion of NSCLC patients carrying specific mutations showed an ideal drug response. In addition, DNA methylation status showed a great potential for cancer detection and prognosis prediction. METHODS: Bisulfite sequencing was performed to analyze the DNA methylation of WIF1 promoter in cfDNA and tumor tissue samples collected from NSCLC patients. PFS and OS analyses were carried out to evaluate the prognosis of gefitinib treatment in patients with differential levels of WIF1 DNA methylation. Quantitative real-time PCR was used to analyze the expression of WIF1 mRNA, while immunohistochemistry was performed to assess the expression of WIF1 protein. Furthermore, ELISA was carried out to evaluate the WIF1 activity in plasma. RESULTS: The DNA methylation level of WIF1 promoter was lower in the cfDNA of NSCLC patients with a complete or partial response to gefitinib, and NSCLC patients with hypomethylated WIF1 showed better PFS and OS. The DNA methylation of WIF1 promoter in the resected tumor tissues was consistent with WIF1 DNA methylation in cfDNA, indicating that cfDNA was mainly derived from lung cancer tissues. As a result, the expression of WIF1 in tissue samples and the WIF1 activity in plasma was inhibited in patients with hypermethylated WIF1. Moreover, the cell viability of gefitinib-resistant cells was decreased by the suppressed WIF1 methylation in vitro. And the expression level of WIF1 mRNA was higher in gefitinib-resistant cells overexpressing ALKBH5, a known suppressor of WIF1 methylation. CONCLUSION: In summary, the findings of this study demonstrated that the level of WIF1 methylation in cfDNA was associated with the insusceptibility of gefitinib in the treatment of lung cancer.

Work Function Engineering of 2D Materials: The Role of Polar Edge Reconstructions.

2D materials have attracted tremendous interest as functional materials because of their diverse and tunable properties, especially at their edges. A material's work function is a critical parameter in many electronic devices; however, a fundamental understanding and a path toward large alterations of the work function in 2D materials still remain elusive. Here, we report the first evidence for anisotropy of the work function in 2D MoS2 from first-principles calculations. We also demonstrate large work-function tunability (in the range of 3.45-6.29 eV) choosing the 2H phase of MoS2 as a model system by sampling various edge configurations. We furthermore reveal the origin of this work function anisotropy and tunability by extending the existing work function relation to the local dipole moment at surfaces of 3D materials to those at edges in 2D materials. We then use machine-learning approaches to correlate work function with edge structures. These results pave the way for intrinsic edge engineering for electronic and catalytic applications.

MX Anti-MXenes from Non-van der Waals Bulks for Electrochemical Applications: The Merit of Metallicity and Active Basal Plane.

Two-dimensional transition-metal compounds (2DTMCs) are promising materials for electrochemical applications, but 2DTMCs with metallicity and active basal planes are rare. In this work, we proposed a simple and effective strategy to extract 2DTMCs from non-van der Waals bulk materials and established a material library of 79 2DTMCs, which we named as anti-MXenes since they are composed of one M atomic layer sandwiched by two X atomic layers. By means of density functional theory computations, 24 anti-MXenes were confirmed to be thermodynamically, dynamically, mechanically, and thermally stable. The metallicity and active basal plane endow these anti-MXenes with potential as excellent electrode materials, for example, as electrocatalysts for hydrogen evolution reactions (HER). Among the noble-metal free anti-MXenes with favorable H-binding, CuS can boost HER at the whole range of H coverages, while CoSi, FeB, CoB, and CoP show promise for HER at some specific H coverages. The active sites are the tetra-coordinating nonmetal atoms at the basal planes, thus rendering a very high density of active sites for these materials. CoB is also a promising anode material for lithium-ion batteries, showing low Li diffusion energy barriers, a very high capacity, and a suitable open circuit voltage. This work promotes the "computational exfoliation" of 2D materials from non-van der Waals bulks and exemplifies the applications of anti-MXenes in various electrochemical processes.

On-surface cyclodehydrogenation reaction pathway determined by selective molecular deuterations.

Understanding the reaction mechanisms of dehydrogenative Caryl-Caryl coupling is the key to directed formation of π-extended polycyclic aromatic hydrocarbons. Here we utilize isotopic labeling to identify the exact pathway of cyclodehydrogenation reaction in the on-surface synthesis of model atomically precise graphene nanoribbons (GNRs). Using selectively deuterated molecular precursors, we grow seven-atom-wide armchair GNRs on a Au(111) surface that display a specific hydrogen/deuterium (H/D) pattern with characteristic Raman modes. A distinct hydrogen shift across the fjord of Caryl-Caryl coupling is revealed by monitoring the ratios of gas-phase by-products of H2, HD, and D2 with in situ mass spectrometry. The identified reaction pathway consists of a conrotatory electrocyclization and a distinct [1,9]-sigmatropic D shift followed by H/D eliminations, which is further substantiated by nudged elastic band simulations. Our results not only clarify the cyclodehydrogenation process in GNR synthesis but also present a rational strategy for designing on-surface reactions towards nanographene structures with precise hydrogen/deuterium isotope labeling patterns.

PGAM1 deficiency ameliorates myocardial infarction remodeling by targeting TGF-ß via the suppression of inflammation, apoptosis and fibrosis.

Myocardial ischemia-reperfusion (MIR) represents critical challenge for the treatment of acute myocardial infarction diseases. Presently, identifying the molecular basis revealing MIR progression is scientifically essential and may provide effective therapeutic strategies. Phosphoglycerate mutase 1 (PGAM1) is a key aerobic glycolysis enzyme, and exhibits critical role in mediating several biological events, such as energy production and inflammation. However, whether PGAM1 can affect MIR is unknown. Here we showed that PGAM1 levels were increased in murine ischemic hearts. Mice with cardiac knockout of PGAM1 were resistant to MIR-induced heart injury, evidenced by the markedly reduced infarct volume, improved cardiac function and histological alterations in cardiac sections. In addition, inflammatory response, apoptosis and fibrosis in hearts of mice with MIR operation were significantly alleviated by the cardiac deletion of PGAM1. Mechanistically, the activation of nuclear transcription factor κB (NF-κB), p38, c-Jun NH2-terminal kinase (JNK) and transforming growth factor ß (TGF-ß) signaling pathways were effectively abrogated in MI-operated mice with specific knockout of PGAM1 in hearts. The potential of PGAM1 suppression to inhibit inflammatory response, apoptosis and fibrosis were verified in the isolated cardiomyocytes and fibroblasts treated with oxygen-glucose deprivation reperfusion (OGDR) and TGF-ß, respectively. Importantly, PGAM1 directly interacted with TGF-ß to subsequently mediate inflammation, apoptosis and collagen accumulation, thereby achieving its anti-MIR action. Collectively, these findings demonstrated that PGAM1 was a positive regulator of myocardial infarction remodeling due to its promotional modulation of TGF-ß signaling, indicating that PGAM1 may be a promising therapeutic target for MIR treatment.

Universal and versatile morphology engineering via hot fluorous solvent soaking for organic bulk heterojunction.

After explosive growth of efficiency in organic solar cells (OSCs), achieving ideal morphology of bulk heterojunction remains crucial and challenging for advancing OSCs into consumer market. Herein, by utilizing the amphiphobic nature and temperature-dependent miscibility of fluorous solvent, hot fluorous solvent soaking method is developed to optimize the morphology with various donor/acceptor combinations including polymer/small-molecule, all-polymer and all-small-molecule systems. By immersing blend film into hot fluorous solvent which is utilized as liquid medium with better thermal conductivity, the molecular reorganization is accelerated. Furthermore, fluorous solvent can be miscible with the residue of chloroform and chloronaphthalene above upper critical solution temperature. This mixed solvent diffuses around inside the active layer and selectively promotes molecular reorganization, leading to optimized morphology. Compared to widely-used thermal annealing, this approach processed under mild conditions achieves superior photovoltaic performance, indicating the practicality and universality for morphological optimization in OSCs as well as other optoelectronic devices.

Engineering Edge States of Graphene Nanoribbons for Narrow-Band Photoluminescence.

Solid-state narrow-band light emitters are on-demand for quantum optoelectronics. Current approaches based on defect engineering in low-dimensional materials usually introduce a broad range of emission centers. Here, we report narrow-band light emission from covalent heterostructures fused to the edges of graphene nanoribbons (GNRs) by controllable on-surface reactions from molecular precursors. Two types of heterojunction (HJ) states are realized by sequentially synthesizing GNRs and graphene nanodots (GNDs) and then coupling them together. HJs between armchair GNDs and armchair edges of the GNR are coherent and give rise to narrow-band photoluminescence. In contrast, HJs between the armchair GNDs and the zigzag ends of GNRs are defective and give rise to nonradiative states near the Fermi level. At low temperatures, sharp photoluminescence emissions with peak energy range from 2.03 to 2.08 eV and line widths of 2-5 meV are observed. The radiative HJ states are uniform, and the optical transition energy is controlled by the band gaps of GNRs and GNDs. As these HJs can be synthesized in a large quantity with atomic precision, this finding highlights a route to programmable and deterministic creation of quantum light emitters.

Correlation between blood transfusion and postoperative acute kidney injury after heart transplantation / 中国胸心血管外科临床杂志

@#Objective    To explore the correlation between perioperative blood transfusion and acute kidney injury (AKI) after heart transplantation. Methods    A retrospective study was performed on 67 patients who underwent heart transplantation in the Department of Cardiac Surgery, Guangdong Provincial People's Hospital from January 2016 to December 2018, and finally 63 patients were included according to the exclusion criteria. There were 53 males and 10 females with an average age of 44.3±12.9 years. Twenty patients who adopted continuous renal replacement therapy (CRRT) after heart transplantation were divided into a RT group and the other 43 patients who did not use CRRT were divided into a non-RT group. Baseline characteristics, perioperative blood transfusion data and clinical prognosis were compared between the two groups. Results    The preoperative baseline characteristics of the two groups were basically the same. There were significant differences in perioperative infusion of red blood cells and plasma, postoperative 24 h bleeding and re-exploration (P<0.05) between the two groups. The area under the receiver operating characteristic (ROC) curve was 0.923 (95%CI 0.852 to 0.995, P<0.001). The ROC curve showed that perioperative infusion of red blood cells more than 18 mL/kg would increase the incidence of AKI after heart transplantation. Conclusion    Perioperative blood transfusion is closely related to AKI after heart transplantation. The more blood transfusion is in clinics, the higher incidence of renal injury is and the worse prognosis is. It is suggested that various blood-saving measures can be carried out.