Multicolor Adjustable B-N Molecular Switches: Simple, Efficient, Portable, and Visual Identification of Butanol Isomers.

As intelligent probes, dynamic and controllable molecular switches are useful tools for probing and intervening in life processes. However, the types and properties of molecular switches are still relatively single and often can only make two actions: "off" and "on". Therefore, the development of novel molecular switches with multiple colors and multiple instructions is very challenging. Herein, we propose a novel strategy based on the instability of the Lewis acid-base pair (boron (B) and nitrogen (N)), such as introducing the Schiff base (C═N) group into the aminoborane skeleton and preparing the novel molecular switches BN-HDZ and BN-HDZ-N. These two molecules were found to have good multicolor fluorescence switching capability for methanol. Surprisingly, the compound BN-HDZ-N shows unprecedented visual identification for the butanol isomers and could be made into a portable strip for simple and rapid visual identification of the four isomers of butanol, promising an alternative to conventional Lucas reagents. This provides a novel strategy for the design and fabrication of novel multicolor-tunable molecular switches with visual identification of isomers.

The important conformational plasticity of DsrA sRNA for adapting multiple target regulation.

In bacteria, small non-coding RNAs (sRNAs) could function in gene regulations under variable stress responses. DsrA is an ∼90-nucleotide Hfq-dependent sRNA found in Escherichia coli. It regulates the translation and degradation of multiple mRNAs, such as rpoS, hns, mreB and rbsD mRNAs. However, its functional structure and particularly how it regulates multiple mRNAs remain obscure. Using NMR, we investigated the solution structures of the full-length and isolated stem-loops of DsrA. We first solved the NMR structure of the first stem-loop (SL1), and further studied the melting process of the SL1 induced by the base-pairing with the rpoS mRNA and the A-form duplex formation of the DsrA/rpoS complex. The secondary structure of the second stem-loop (SL2) was also determined, which contains a lower stem and an upper stem with distinctive stability. Interestingly, two conformational states of SL2 in dynamic equilibrium were observed in our NMR spectra, suggesting that the conformational selection may occur during the base-pairing between DsrA and mRNAs. In summary, our study suggests that the conformational plasticity of DsrA may represent a special mechanism sRNA employed to deal with its multiple regulatory targets of mRNA.

Estimation of Solar Radiation for Tomato Water Requirement Calculation in Chinese-Style Solar Greenhouses Based on Least Mean Squares Filter.

The area covered by Chinese-style solar greenhouses (CSGs) has been increasing rapidly. However, only a few pyranometers, which are fundamental for solar radiation sensing, have been installed inside CSGs. The lack of solar radiation sensing will bring negative effects in greenhouse cultivation such as over irrigation or under irrigation, and unnecessary power consumption. We aim to provide accurate and low-cost solar radiation estimation methods that are urgently needed. In this paper, a method of estimation of solar radiation inside CSGs based on a least mean squares (LMS) filter is proposed. The water required for tomato growth was also calculated based on the estimated solar radiation. Then, we compared the accuracy of this method to methods based on knowledge of astronomy and geometry for both solar radiation estimation and tomato water requirement. The results showed that the fitting function of estimation data based on the LMS filter and data collected from sensors inside the greenhouse was y = 0.7634x + 50.58, with the evaluation parameters of R2 = 0.8384, rRMSE = 23.1%, RMSE = 37.6 Wm-2, and MAE = 25.4 Wm-2. The fitting function of the water requirement calculated according to the proposed method and data collected from sensors inside the greenhouse was y = 0.8550x + 99.10 with the evaluation parameters of R2 = 0.9123, rRMSE = 8.8%, RMSE = 40.4 mL plant-1, and MAE = 31.5 mL plant-1. The results also indicate that this method is more effective. Additionally, its accuracy decreases as cloud cover increases. The performance is due to the LMS filter's low pass characteristic that smooth the fluctuations. Furthermore, the LMS filter can be easily implemented on low cost processors. Therefore, the adoption of the proposed method is useful to improve the solar radiation sensing in CSGs with more accuracy and less expense.

Design and characterization of human exposure to generated sulfate and soot particles in a pilot chamber study.

UNLABELLED: A number of literatures have documented adverse health effects of exposure to fine particulate matter (PM2.5), and secondary sulfate aerosol and black carbon may contribute to health impacts of PM2.5 exposure. We designed an exposure system to generate sulfate and traffic soot particles, and assessed the feasibility of using it for human exposure assessment in a pilot human exposure study. In the designed exposure system, average mass concentrations of generated sulfate and soot particles were 74.19 µg/m3 and 11.54 µg/m3 in the chamber and did not vary significantly during two-hour human exposure sessions. The size ranges of generated sulfate were largely between 20 to 200 nm, whereas those of generated soot particles were in the size ranges of 50 to 200 nm. Following two-hour exposure to generated sulfate and soot particles, we observed significant increases in fractional exhaled NO (FeNO) in young and health subjects. Building on established human exposure system and health response follow-up methods, future full-scale studies focusing on the effects of mixed particulates and individual PM2.5 components would provide data in understanding the underpinning cardio-respiratory outcomes in relation to air pollution mixture exposure. IMPLICATIONS: Controlled exposure is a useful design to measure the biological responses repeatedly following particulate exposures of target components and set exposure at target levels of health concerns. Our study provides rational and establishes method for future full-scale studies to focus on examining the effects of mixed particulates and individual PM2.5 components.

Size-fractioned ultrafine particles and black carbon associated with autonomic dysfunction in subjects with diabetes or impaired glucose tolerance in Shanghai, China.

BACKGROUND: Particles in smaller size fractions, such as ultrafine particles (UFPs) (with diameter less than 100 nm), has become of significant cardiovascular health concerns. However, the biological plausibility underlying potential relationship between UFPs and cardiovascular outcomes is less studied. METHODS: Fifty-three subjects living in Shanghai with type-2 diabetes (T2D) or impaired glucose tolerance (IGT) were followed for autonomic dysfunctions with three repeated measurements in 2010. Minute-to-minute concentrations of ambient particles in small size-fractions (5-560 nm), black carbon (BC), sulfur dioxide (SO2), nitrogen dioxide (NO2), carbon monoxide (CO), and ozone (O3) were monitored using a central monitoring laboratory equipped with real-time air monitors close to residential area of the subjects. Generalized linear mixed models, with adjustment for individual risk factors, were applied to assess the effects of air pollution on autonomic dysfunctions in subjects. RESULTS: Our study showed that significant reduction in the standard deviation of all NN intervals (SDNN) ranging from 3.4% to 8.1% were associated with interquartile range (IQR) increase of number concentration of particles (PNC) in size fractions<100 nm, and reduction from 1.3% to 4.6% with particles of diameter 100-200 nm, in subjects with diabetes or glucose tolerance. Increased exposure to traffic-related pollutants BC, NO2 and CO, and combustion pollutant SO2, were also significantly associated with HRV reductions. However, no effect was observed for particles in size fraction of 200-560 nm and O3. Diabetic risk factor and gender appeared to have significant interactions on autonomic dysfunction associated with UFPs and traffic pollution exposures in certain time-window. CONCLUSIONS: Our results suggest that underlying diabetes or impaired glucose tolerance may confer reduced autonomic function of heart due to traffic pollution exposure.

Unified Adversarial Patch for Visible-Infrared Cross-Modal Attacks in the Physical World.

Physical adversarial attacks have put a severe threat to DNN-based object detectors. To enhance security, a combination of visible and infrared sensors is deployed in various scenarios, which has proven effective in disabling existing single-modal physical attacks. To further demonstrate the potential risks in such cases, we design a unified adversarial patch that can perform cross-modal physical attacks, achieving evasion in both modalities simultaneously with a single patch. Given the different imaging mechanisms of visible and infrared sensors, our work manipulates patches' shape features, which can be captured in different modalities when they undergo changes. To deal with challenges, we propose a novel boundary-limited shape optimization approach that aims to achieve compact and smooth shapes for the adversarial patch, making it easy to implement in the physical world. And a score-aware iterative evaluation method is also introduced to balance the fooling degree between visible and infrared detectors during optimization, which guides the adversarial patch to iteratively reduce the predicted scores of the multi-modal sensors. Furthermore, we propose an Affine-Transformation-based enhancement strategy that makes the learnable shape robust to various angles, thus mitigating the issue of shape deformation caused by different shooting angles in the real world. Our method is evaluated against several state-of-the-art object detectors, achieving an Attack Success Rate (ASR) of over 80%. We also demonstrate the effectiveness of our approach in physical-world scenarios under various settings, including different angles, distances, postures, and scenes for both visible and infrared sensors.

A Bayesian benchmark concentration analysis for urinary fluoride and intelligence in adults in Guizhou, China.

Environmental fluoride exposure has been linked to numerous cases of fluorosis worldwide. Previous studies have indicated that long-term exposure to fluoride can result in intellectual damage among children. However, a comprehensive health risk assessment of fluorosis-induced intellectual damage is still pending. In this research, we utilized the Bayesian Benchmark Dose Analysis System (BBMD) to investigate the dose-response relationship between urinary fluoride (U-F) concentration and Raven scores in adults from Nayong, Guizhou, China. Our research findings indecate a dose-response relationship between the concentration of U-F and intelligence scores in adults. As the benchmark response (BMR) increased, both the benchmark concentration (BMCs) and the lower bound of the credible interval (BMCLs) increased. Specifically, BMCs for the association between U-F and IQ score were determined to be 0.18 mg/L (BMCL1 = 0.08 mg/L), 0.91 mg/L (BMCL5 = 0.40 mg/L), 1.83 mg/L (BMCL10 = 0.83 mg/L) when using BMRs of 1 %, 5 %, and 10 %. These results indicate that U-F can serve as an effective biomarker for monitoring the loss of IQ in population. We propose three interim targets for public policy in preventing interllectual harm from fluoride exposure.

Halogenated boroxine increases propensity to apoptosis in leukemia (UT-7) but not non-tumor cells in vitro.

A hallmark of the development of solid and hematological malignancies is the dysregulation of apoptosis, which leads to an imbalance between cell proliferation, cell survival and death. Halogenated boroxine [K2 (B3 O3 F4 OH)] (HB) is a derivative of cyclic anhydride of boronic acid, with reproducible anti-tumor and anti-proliferative effects in different cell models. Notably, these changes are observed to be more profound in tumor cells than in normal cells. Here, we investigated the underlying mechanisms through an extensive evaluation of (a) deregulated target genes and (b) their interactions and links with main apoptotic pathway genes upon treatment with an optimized concentration of HB. To provide deeper insights into the mechanism of action of HB, we performed identification, visualization, and pathway association of differentially expressed genes (DEGs) involved in regulation of apoptosis among tumor and non-tumor cells upon HB treatment. We report that HB at a concentration of 0.2 mg·mL-1 drives tumor cells to apoptosis, whereas non-tumor cells are not affected. Comparison of DEG profiles, gene interactions and pathway associations suggests that the HB effect and tumor-'selectivity' can be explained by Bax/Bak-independent mitochondrial depolarization by ROS generation and TRAIL-like activation, followed by permanent inhibition of NFκB signaling pathway specifically in tumor cells.

Time-dependent photo-activated aminoborane room-temperature phosphorescence materials with unprecedented properties: simple, versatile, multicolor-tuneable, water resistance, optical information writing/erasing, and multilevel data encryption.

Triarylboranes-based pure organic room-temperature phosphorescence (RTP) materials are rarely investigated because of their large steric hindrance and the electron defect of the boron atom. As a result, creating functional triarylborane RTP materials is difficult. Herein, we report the first photo-activated RTP materials with lifetimes/quantum yields ≤0.18 s/6.83% based on donor (D)-π-acceptor (A) from methylene carbazole-functionalized aminoborane (BN)-doped polymethyl methacrylate (BN-o-Met-Cz@PMMA) under 365 nm UV irradiation (30 s). Incredibly, BN-o-Met-Cz@PMMA films exhibited unprecedented photo-activated RTP dual-response properties (e.g., air + 365 nm: τ P = 0.18 s, Φ P = 6.83%; N2 + 365 nm: τ P = 0.42 s, Φ P = 17.34%). Intriguingly, the BN (D-π-A) system demonstrated good versatility for photo-activated RTP whether the electron-donating group or electron-withdrawing group was placed in the ortho (meta)-position of the B atom. As a result, a series of photo-activated single-molecule organic RTP materials with multi-color emission, high quantum yields, and ultra-long lifetimes can be prepared rapidly. BN-X@PMMA films showed broad application prospects for information encryption, data erasure, anti-counterfeiting, and water resistance. Our method provides new strategies for the design, synthesis, and application of RTP materials, thereby enriching the types of organic RTP materials and facilitating further developments in this area.

Comprehensive investigating of MMR gene in hepatocellular carcinoma with chronic hepatitis B virus infection in Han Chinese population.

Hepatocellular carcinoma associated with chronic hepatitis B virus infection seriously affects human health. Present studies suggest that genetic susceptibility plays an important role in the mechanism of cancer development. Therefore, this study focused on single nucleotide polymorphisms (SNPs) of MMR genes associated with HBV-HCC. Five groups of participants were included in this study, which were healthy control group (HC), spontaneous clearance (SC), chronic hepatitis B group (CHB), HBV-related liver cirrhosis group (LC) and HBV-related hepatocellular carcinoma group (HBV-HCC). A total of 3128 participants met the inclusion and exclusion criteria for this study. 20 polymorphic loci on MSH2, MSH3 and MSH6 were selected for genotyping. There were four case-control studies, which were HC vs. HCC, SC vs. HCC, CHB vs. HCC and LC vs. HCC. We used Hardy-Weinberg equilibrium test, unconditional logistic regression, haplotype analysis, and gene-gene interaction for genetic analysis. Ultimately, after excluding confounding factors such as age, gender, smoking and drinking, 12 polymorphisms were found to be associated with genetic susceptibility to HCC. Haplotype analysis showed the risk haplotype GTTT (rs1805355_G, rs3776968_T, rs1428030_C, rs181747_C) was more frequent in the HCC group compared with the HC group. The GMDR analysis showed that the best interaction model was the three-factor model of MSH2-rs1981928, MSH3-rs26779 and MSH6-rs2348244 in SC vs. HCC group (P=0.001). In addition, we found multiplicative or additive interactions between genes in our selected SNPs. These findings provide new ideas to further explore the etiology and pathogenesis of HCC. We have attempted to explain the molecular mechanisms by which certain SNPs (MSH2-rs4952887, MSH3-rs26779, MSH3-rs181747 and MSH3-rs32950) affect genetic susceptibility to HCC from the perspectives of eQTL, TFBS, cell cycle and so on. We also explained the results of haplotypes and gene-gene interactions. These findings provide new ideas to further explore the etiology and pathogenesis of HCC.

Efficient Visible-Light-Driven Photocatalytic Hydrogen Generation over 2D/2D Co-ZIF-9/Ti3 C2 Hybrids.

Exploring precious-metal-free catalysts for efficient photocatalytic H2 evolution is highly desirable but still challenging. Herein, a novel 2D/2D Co-ZIF-9/Ti3 C2 composite was fabricated by a facile electrostatic self-assembly strategy. Owing to higher flux of photogenerated electron-holes and lower rate of recombination, the resultant composite exhibited better photocatalytic H2 evolution compared to Co-ZIF-9. When the content of Ti3 C2 was 2.5 wt %, a maximum photocatalytic H2 -generation rate of 3538.5 µmol g-1 ⋅ h-1 was achieved, which is 9.6 times that of bare Co-ZIF-9. Moreover, the Co-ZIF-9/Ti3 C2 composite displayed high photocatalytic stability. This study demonstrated for the first time the great potential of Co-ZIF-9/Ti3 C2 as a noble-metal-free catalyst for photocatalytic H2 generation.

Simple Stimulus-Responsive Organic Long Persistent Luminescence Systems Based on Methoxy-Functionalized Triphenylphosphine.

Triarylphosphine-based pure organic long persistent luminescence materials are rarely investigated because of their poor stability and low photoluminescence quantum yield. Herein, we demonstrate that the introduction of a methoxy group (TPP-o-3OMe) at the ortho position of triphenylphosphine (TPP) can essentially promote the n → π* transition and promote intersystem crossing to generate more triplet excitons. Simultaneously, generating abundant intramolecular and intermolecular hydrogen bonds to stable excited triplet excitons is beneficial, thereby causing high-efficiency phosphorescence emission (τp = 394.1 ms; Φp = 9.28%). Interestingly, it shows a good acid response to protonic acids and can often be cycled many times under the heating or ammonia fumigation conditions. This research provides a new idea for enriching the types of pure organic room-temperature phosphorescent materials, widening their applications in the fields of anticounterfeiting and smart response, and promotes the further development of this field.

[Evolutionary analysis of neuraminidase gene of A/H7N9 influenza virus].

In 2013, the World Health Organization reported the first case of human infection with a new influenza A (H7N9) virus in China. This has caused damage and panic within certain areas in China. Therefore, analysis of this virus with bioinformatics technology is very necessary. Neuraminidase (NA) is one of the most important antigens of the influenza virus and an important target for anti-flu drugs. In this study, the nucleotide and protein sequences of NA gene of A/H7N9 influenza viruses were retrieved from the NCBI database, and MEGA 5.0 software was employed to construct a phylogenetic tree based on the nucleotide coding sequence; BioEdit software was used to align the nucleotide and protein sequences of NA and calculate the homologies of nucleotides and amino acids and then to analyze the important mutation sites of NA gene. The results demonstrated that the spread of influenza virus H7N9 showed certain geographical and temporal relations. The H7N9 virus isolated from China in 2013 belonged to Euroasiatic serotype, and its NA stalk region hadobvious variation, which may be one of the reasons that this virus infects human. These analyses may be very helpful for understanding the evolutionary relationship and mutation trend of A/H7N9 influenza viruses.

Electronic structures and optical properties of organic dye sensitizer NKX derivatives for solar cells: a theoretical approach.

The photon to current conversion efficiency of dye-sensitized solar cells (DSCs) can be significantly affected by dye sensitizers. The design of novel dye sensitizers with good performance in DSCs depend on the dye's information about electronic structures and optical properties. Here, the geometries, electronic structures, as well as the dipole moments and polarizabilities of organic dye sensitizers C343 and 20 kinds of NKX derivatives were calculated using density functional theory (DFT), and the computations of the time dependent DFT with different functionals were performed to explore the electronic absorption properties. Based upon the calculated results and the reported experimental work, we analyzed the role of different conjugate bridges, chromophores, and electron acceptor groups in tuning the geometries, electronic structures, optical properties of dye sensitizers, and the effects on the parameters of DSCs were also investigated.

Electronic structures and absorption properties of three kinds of ruthenium dye sensitizers containing bipyridine-pyrazolate for solar cells.

The geometries, electronic structures and the electronic absorption spectra of three kinds of ruthenium complexes, which contain tridentate bipyridine-pyrazolate ancillary ligands, were studied using density functional theory (DFT) and time-dependent DFT. The calculated results indicate that: (1) the strong conjugated effects are formed across the pyrazoalte-bipyridine groups; (2) the interfacial electron transfer between electrode and the dye sensitizers is an electron injection processes from the excited dyes to the conduction band of TiO2; (3) the absorption bands in visible region have a mixed character of metal-to-ligand charge transfer and ligand-to-ligand charge transfer, but the main character of absorption bands near UV region ascribe to π→π* transitions; (4) introducing pyrazolate and -NCS groups are favorable for intra-molecular charge transfer, and they are main chromophores that contribute to the sensitization of photon-to-current conversion processes, but introducing -Cl and the terminal group -CF3 are unfavorable to improve the dye performance in dye sensitized solar cells.