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Identifying key genes involved in Cadmium (Cd) response pathways in plants and developing low-Cd-accumulating cultivars may be the most effective and eco-friendly strategy to tackle the problem of Cd pollution in crops. In our previous study, Stressseventy subfamily A 4 (SSA4) was identified to be associated with Cd tolerance in yeast. Here, we investigated the mechanism of SSA4 in regulating Cd tolerance in yeast. ScSSA4 binds to POre Membrane 34 (POM34), a key component of nuclear pore complex (NPC), and translocates from the cytoplasm to the nucleus, where it regulates the expression of its downstream gene, Viable in a Hal3 Sit4 background 1 (VHS1), resulting in reduced Cd accumulation in yeast cells. Additionally, we identified a Chinese cabbage SSA4 gene, BrSSA4c, which could enhance the Cd tolerance in Chinese cabbage. This study offers new insights into the regulatory mechanisms of Cd tolerance in yeast, a model organism, and paves the way for the genetic enhancement of Cd tolerance in Chinese cabbage. [ABSTRACT FROM AUTHOR]

To meet selective adsorption toward trifluralin, a novel molecularly imprinted polymer (MIP) was fabricated by the dummy template molecular imprinting technology. First, computational simulation was performed to select a suitable dummy template, 3,5‐dinitro‐4‐methylbenzoic acid (T1), based on the maximum basis set superposition error (BSSE)‐corrected binding interaction energy (ΔE) of the monomer N‐vinylpyrrolidone (NVP)‐T1 complex and its structural overlap with trifluralin. Then, the MIP was prepared via the bulk polymerization. The adsorption experiments showed the MIP exhibited a trifluralin adsorption capacity of 5.1 mg g−1, an imprinting factor (IF) of 2.2, and short adsorption equilibrium time of 5 min. The adsorption of trifluralin conformed to the Freundlich adsorption (R2 = 0.985) and pseudo‐second‐order model (R2 = 0.999). In addition, the MIP exhibited selectivity to trifluralin over other adsorbents, including structural analogs (pendimethalin and oryzalin), pesticide (carbendazim), and nitrocompounds (nitrofurantoin, furazolidone, and furaltadone), with the selectivity factor (β) in the range of 1.2–3.0, respectively. In trifluralin/oryzalin mixture, the IF toward oryzalin was still as high as 1.9. The removal rate of the MIP to trifluralin in environmental water samples ranged from 90.08% to 99.04%. This study provides theoretical and experimental insights for the preparation of MIP using dummy templates. [ABSTRACT FROM AUTHOR]

Type 2 diabetes mellitus (T2DM) has become one of the most serious public healthcare challenges, contributing to increased mortality and disability. In the past decades, significant progress has been made in understanding the pathogenesis of T2DM. Mounting evidence suggested that gut microbiota (GM) plays a significant role in the development of T2DM. Communication between the GM and the brain is a complex bidirectional connection, known as the "gut-brain axis," via the nervous, neuroendocrine, and immune systems. Gut-brain axis has an essential impact on various physiological processes, including glucose metabolism, food intake, gut motility, etc. In this review, we provide an outline of the gut-brain axis. We also highlight how the dysbiosis of the gut-brain axis affects glucose homeostasis and even results in T2DM. [ABSTRACT FROM AUTHOR]

Optoelectronic synaptic transistors are advantageous in in-memory light sensing for artificial neural networks. Herein, optoelectronic synaptic junction field-effect transistors (JFETs) based on a Ga2O3/MoS2 heterojunction are fabricated. The devices exhibit robust electrical performances, including a high on/off ratio of 108, a low subthreshold swing of 69 mV dec−1, and a high output current of 3.4 μA μm−1. An inverter and a NAND gate are constructed based on the dual-gated configuration, with the inverter showing a high voltage gain of 28 and the near-ideal noise margin of 90.4%. Additionally, the devices demonstrate outstanding optoelectronic performances benefiting from the strong light–matter interactions of MoS2. Typical synaptic plasticities, including short-term plasticity, long-term plasticity, and spiking-rate-dependent plasticity, are simulated by applying the light pulses. Furthermore, metaplastic excitatory postsynaptic current, metaplastic facilitation of long-term potentiation and transition from potentiation to depression are also readily demonstrated. The artificial neural network, in which neurons are interconnected through our proposed optoelectronic synaptic transistors, achieves a high accuracy of 89.8% in recognizing handwritten digits. This work provides insight into the design of an optoelectronic synapse based on JFETs. [ABSTRACT FROM AUTHOR]

To avoid false negative results due to the low cross-reactivity rate (CR) in rapid immunoassay, a group-specific antibody with homogeneous CR toward target compounds is needed for accuracy. In this study, tylosin (TYL) and tilmicosin (TM) were selected as model molecules. Firstly, two-dimensional similarity, electrostatic potential energy, spatial conformation and charge distribution of the haptens TYL-CMO, TYL-6-ACA, TYL-4-APA, TYL-CHO and DES-CMO and target compounds of TYL and TM were obtained using Gaussian 09W and Discovery Studio. The optimal hapten was DES-CMO because it is the most similar to TYL and TM. Subsequently, the mAb 14D5 cell line was obtained with IC50 values of 1.59 and 1.72 ng/mL for TYL and TM, respectively, and a CR of 92.44%. Finally, amorphous carbon nanoparticles (ACNPs) were conjugated with mAb 14D5 to develop an accurate lateral flow immunoassay (LFA) for detection of TYL and TM by the reflectance value under natural light. The recoveries of TYL and TM ranged from 77.18 to 112.04% with coefficient of variation < 13.43%. The cut-off value in milk samples was 8 ng/mL, and the limits of detection were 11.44, 15.96, 22.29 and 25.53 μg/kg for chicken muscle, bovine muscle, porcine muscle and porcine liver samples, respectively, and the results being consistent with HPLC–UV. The results suggest that the developed LFA is accurate and potentially useful for on-site screening of TYL and TM in milk and animal tissue samples. [ABSTRACT FROM AUTHOR]

A sensitive immunochromatographic assay (ICA) using time-resolved fluorescence microspheres (TRFMs) coupled with an indirect-labeling mode was developed for simultaneously determining 22 kinds of β-lactams in milk samples. The TRFMs labeled anti-receptor monoclonal antibodies (mAbs) conjugated to penicillin-binding proteins (PBPs) as ternary TRFMs-mAb-PBPs (TMP) nanoscaffolds provide excellent solubility, brightness, and stability. Thanks to the fact that they not only fully expose the binding sites of PBPs, thereby enhancing the biological affinity of PBPs towards the target, but also generated superb fluorescence signals, the versatile TMP manifested unique possibilities as efficient probes for ICA with remarkable enhancement in sensitivity in β-lactams screening. The results showed that the standard curves of the 22 varying β-lactams displayed linearity in their respective concentration ranges (R2 > 0.98), with the cutoff values of 1–100 ng/mL. The constructed TMP-ICA was successfully applied to the analysis of real milk, with consistent results compared with liquid chromatography-tandem mass spectrometry (LC-MS), providing an effective method for sensing β-lactams in food matrices. [ABSTRACT FROM AUTHOR]

Non-destructive and reversible modulations of polarity and carrier concentration in transistors are essential for complementary devices. The fabricated multi-gated WSe2 devices obtain dynamic electrostatic field induced electrically configurable functions and demonstrate as diode with high rectification ratio of 4.1 × 105, as well as n- and p-type inverter with voltage gain of 19.9 and 12.1, respectively. Benefiting from the continuous band alignment induced modulation of channel underneath the dual gates, the devices exhibit high-performance photodetection in wide spectral range. The devices yield high photo-responsivity (5.16 A W-1) and large 'light/'dark ratio (1 × 105). Besides, the local gate fields accelerate the separation of photo-induced carriers, leading to fast response without persistent current. This strategy takes the advantage of the simplified design and continues to deliver integrated circuits with high density. The superior electrical and photodetection characteristics exhibit great potency in the domain of future optoelectronics. [ABSTRACT FROM AUTHOR]

The remediation of dyes in wastewater using activated carbon produced from sewage sludge pyrolysis char (PYC) is an environmentally friendly and sustainable process. However, traditional activators can cause corrosion of the processing facility, thereby increasing the costs of waste disposal. Here, activated carbons were prepared from sewage sludge PYC, and the effects of activation conditions (different activators, temperature and time, and char:activator mass ratio) on their specific surface areas and adsorption of iodine and methylene blue (MB; model dye) were studied. The results showed that a value of 952 m2/g could be attained for the specific surface area and values of 882 and 162 mg/g for the adsorption of iodine and MB, respectively, by heating PYC with KHCO3 (PYC- KHCO3: 1:2 w/w) for 60 min at 800 ℃. Compared with activation by KOH, the adsorption of MB using PYC-KHCO3 was slightly lower but the yield was 13.7% higher. Optimization of the activation process using surface response modelling indicated that sensitivity of three key factors to the adsorption of iodine and MB followed the order: Mass ratio > temperature > time. Systematic investigation of the effects of time, pH and temperature on the removal of MB by the activated carbon revealed that adsorption conformed to the Langmuir model and pseudo-second-order kinetics. The proposed mechanisms of MB adsorption involved ion exchange, functional group complexation and physical/π-π interactions. This study provides a basis for the efficient remediation of dyes in wastewater using activated carbon prepared from sustainable sewage sludge PYC and green chemistry. [ABSTRACT FROM AUTHOR]

As a kind of medicine and food homologous plant, kudzu root (Pueraria lobata (Willd.) Ohwi) is called an "official medicine" in Chinese folk medicine. Puerarin is the main active component extracted from kudzu root, and its structural formula is 8-β-D-grapes pyranose-4, 7-dihydroxy isoflavone, with a white needle crystal; it is slightly soluble in water, and its aqueous solution is colorless or light yellow. Puerarin is a natural antioxidant with high health value and has a series of biological activities such as antioxidation, anti-inflammation, anti-tumor effects, immunity improvement, and cardio-cerebrovascular and nerve cell protection. In particular, for the past few years, it has also been extensively used in clinical study. This review focuses on the antioxidant activity of puerarin, the therapy of diverse types of inflammatory diseases, various new drug delivery systems of puerarin, the "structure-activity relationship" of puerarin and its derivatives, and pharmacokinetic and clinical studies, which can provide a new perspective for the puerarin-related drug research and development, clinical application, and further development and utilization. [ABSTRACT FROM AUTHOR]

A novel ratiometric fluorescence probe was designed for the determination of Al3+ by self-assembling of NH2-MIL-101(Fe) and [Ru(bpy)3]2+. Under the excitation wavelength of 360 nm, the NH2-MIL-101(Fe)@[Ru(bpy)3]2+ presented a dual-emitting luminescent property at 440 and 605 nm, respectively. In the presence of Al3+, the blue fluorescence of NH2-MIL-101(Fe)@[Ru(bpy)3]2+ at 440 nm was enhanced remarkably, while the red emission at 605 nm was almost not influenced. Therefore, taking the fluorescence at 440 nm as the report signal and 605 nm as the reference signal, quantitative determination was achieved for Al3+ concentration in the ranges 0.2–25 μM and 25–250 μM. The limit of detection (LOD) and limit of quantification (LOQ) were calculated to be 73 nM and 244 nM, respectively. The sensing mechanisms were studied by theoretical calculation and optical spectra. The analysis of real food samples confirmed the suitability of the proposed method. More importantly, portable fluorescent test papers were successfully manufactured to provide a strategy for visual, rapid, and on-site detection of Al3+. [ABSTRACT FROM AUTHOR]

In the past few years, ambipolar tin monoxide (SnO) thin-film transistors (TFTs) have been widely studied because of ever-increasing demands for simplifying CMOS circuit and fabrication of more compact CMOS devices. However, in view of the serious decline in device performance upon gate-bias stress and environmental exposure, it is urgent to develop an effective passivation strategy for improving the operational stability of SnO TFTs. Here, aluminum oxide (Al2O3)/hafnium oxide (HfO2) bilayer dielectric is employed as a passivation layer for achieving ambipolar SnO TFTs with greatly enhanced operational stability, in which the Al2O3 dielectric is used to reduce the interfacial trap states, while HfO2 dielectric can prevent the diffusion of water/oxygen. Furthermore, a complementary-like inverter is presented by simply connecting two identical ambipolar SnO TFTs, which can be maintained in ambient condition for more than four months with a voltage gain exceeding 30. The capacity to synchronously achieve field-effect conversion, operational stability, as well as logic function in ambipolar SnO TFTs opens up a rational avenue to the realization of compact logic circuits. [ABSTRACT FROM AUTHOR]

Images of visual scenes comprise essential features important for visual cognition of the brain. The complexity of visual features lies at different levels, from simple artificial patterns to natural images with different scenes. It has been a focus of using stimulus images to predict neural responses. However, it remains unclear how to extract features from neuronal responses. Here we address this question by leveraging two-photon calcium neural data recorded from the visual cortex of awake macaque monkeys. With stimuli including various categories of artificial patterns and diverse scenes of natural images, we employed a deep neural network decoder inspired by image segmentation technique. Consistent with the notation of sparse coding for natural images, a few neurons with stronger responses dominated the decoding performance, whereas decoding of ar tificial patterns needs a large number of neurons. When natural images using the model pretrained on artificial patterns are decoded, salient features of natural scenes can be extracted, as well as the conventional category information. Altogether, our results give a new perspective on studying neural encoding principles using reverse-engineering decoding strategies. [ABSTRACT FROM AUTHOR]

The goal of regenerative wound healing dressings is to restore tissue function back to normal physiological activity and accelerate skin tissue regeneration at wound sites. The optimal strategy to achieve this purpose requires a balance between material functionality, degradation, safety, and tissue regrowth. Herein, for the first time, an ultrasonic‐triggered irreversible tending to equilibrium self‐assembly and ionic cross‐linking codriven strategy is proposed for producing multifunctional cinnamaldehyde‐tannic acid‐zinc acetate nanospheres (CA‐TA‐ZA NSs), realizing the fusion of hydrophilic and hydrophobic drug‐food small molecules. Moreover, a novel "all‐in‐one" chitosan (CS)‐based hydrogel functionalized by introducing drug‐food small molecules self‐assembled CA‐TA‐ZA NSs to the 3D network structures of CS is designed, integrating excellent antibacterial, antioxidant, anti‐inflammatory and reducing oxidative stress damage abilities. Additionally, the multifunctional CS‐based hydrogel can realize rapid in situ gelation at wound sites and completely cover the irregular wounds. All of these superiorities enable the CS‐based hydrogel to clean the wound microenvironment, induce skin tissue remodeling, promote blood vessel repair and hair follicle regeneration, restore the immune system back to normal physiological activity, and accelerate wound healing. Therefore, this study offers a new perspective for the design of advanced functional materials with great application potential in the biomedical field. [ABSTRACT FROM AUTHOR]

Long non-coding RNA (lncRNA) is widely reported to be involved in cardiac (patho)physiology. Acute myocardial infarction, in which cardiomyocyte apoptosis plays an important role, is a life-threatening disease. Here, we report the lncRNA Chaer that is anti-apoptotic in cardiomyocytes during Acute myocardial infarction. Importantly, lncRNA Chaer is significantly downregulated in both oxygen-glucose deprivation (oxygen-glucose deprivation)-treated cardiomyocytes in vitro and AMI heart. In vitro , overexpression of lncRNA Chaer with adeno virus reduces cardiomyocyte apoptosis induced by OGD-treated while silencing of lncRNA Chaer increases cardiomyocyte apoptosis instead. In vivo , forced expression of lncRNA Chaer with AAV9 attenuates cardiac apoptosis, reduces infarction area and improves mice heart function in AMI. Interestingly, overexpression of lncRNA Chaer promotes the phosphorylation of AMPK, and AMPK inhibitor Compound C reverses the overexpression of lncRNA Chaer effect of reducing cardiomyocyte apoptosis under OGD-treatment. In summary, we identify the novel ability of lncRNA Chaer in regulating cardiomyocyte apoptosis by promoting phosphorylation of AMPK in AMI. [ABSTRACT FROM AUTHOR]

Bacterial infection can cause chronic nonhealing wounds, which may be a great threat to public health. It is highly desirable to develop an injectable wound dressing hydrogel with multifunctions including self‐healing, remodeling, antibacterial, radical scavenging ability, and excellent photothermal properties to promote the regeneration of damaged tissues in clinical practice. In this work, dopamine‐modified gelatin (Gel‐DA) is employed for the first time as a biotemplate for enhancing the biomineralization ability of gelatin to synthesize dopamine‐modified gelatin@Ag nanoparticles (Gel‐DA@Ag NPs). Further, the prepared Gel‐DA@Ag NPs with antioxidant activity and near‐infrared (NIR) laser irradiation synergistic antibacterial behavior are fixed in the guar gum based hydrogels through the formation of borate/didiol bonds to possess remolding, injectable, and self‐healing performance. In addition, the multifunctional hydrogels can completely cover the irregular wound shape to prevent secondary injury. More importantly, these hydrogel platforms under NIR can significantly accelerate wound healing with more skin appendages like hair follicles and blood vessels appearing. Therefore, it is expected that these hydrogels can serve as competitive multifunctional dressings in biomedical field, including bacteria‐derived wound infection and other tissue repair related to reactive oxygen species overexpression. [ABSTRACT FROM AUTHOR]

A series of derivatives of nitroso-substituted cubane were designed through the substitution of hydrogen atoms by nitroso groups one by one. The heats of formation (HOFs) were calculated to explore the thermal stability. The bond dissociation energies (BDEs) and the bond orders of the trigger bonds were also investigated to explore the molecular stability kinetically. Furthermore, the steric effect was confirmed as the determinant of molecular stability for title molecules. To explore the detonation properties, the detonation pressure (P), the detonation velocity (D), the heat of detonation (Q), and the specific density (ρ) were calculated by using the empirical Kamlet-Jacobs (K-J) equations. To predict the sensitivity, the characteristic drop height (H50) is calculated. Based on our calculations, the octanitrosocubane is found with detonation parameters (D = 9.03 km/s, P = 36.96 GPa) better than that of RDX with enough stability. [ABSTRACT FROM AUTHOR]

A series of derivatives of uracil were designed through substituting the hydrogen atoms by nitro groups to look for high-energy-density compounds. To explore the thermal stabilities, the heats of formation (HOF) are calculated at the G3MP2 using the isodesmic reaction accompanied with the atomization reaction. Furthermore, the determinate factors of the stability are also discussed in detail. The bond dissociation energy (BDE) were calculated at the same level through homolytic cleavage reaction accompanied with the energy gaps (Eg). Based on our calculations, excellent stabilities are confirmed not only thermally but also kinetically. To confirm the possibility as high-energy-density compounds, the detonation characters including detonation pressure, detonation velocity, molecular density, and explosive heats are predicted by using the Kamlet-Jacobs equation. Finally, two molecules (C2 and C3) are evaluated as the candidates of high-energy-density materials. It is expected that our works can benefit the further research about title molecules. [ABSTRACT FROM AUTHOR]

High-energy-density compounds are designed successively by substituting the hydrogen atoms of 1H-pyrazole by the nitro group. The thermal stabilities are explored by the calculations of the heat of formation, bond orders, and bond dissociation energy at the B3PW91/6-311 + G(d,p) level. To evaluate the potential application as high-energy-density compounds, the molecular density (ρ), explosive heat (Q), the detonation velocity and detonation pressure are evaluated by using the empirical Kamlet-Jacobs equation. Based on our calculations, five molecules (3,4,5-trinitro-1H-pyrazole, 1,4,5-trinitro-1H-pyrazole, 1,3,5-trinitro-1H-pyrazole, 1,3,4-trinitro-1H-pyrazole, 1,3,4,5-tetranitro-1H-pyrazole) reached the balance between the stability and detonation characters and can be regarded as the potential high-energy-density compounds. [ABSTRACT FROM AUTHOR]

A series of nitro-derivatives of pyrrole were designed by replacing the hydrogen atoms on the pyrrole ring with nitro system. In order to investigate the thermodynamic and kinetic stability of these molecules, the enthalpy of formation, bond dissociation energy and bond order are calculated. The results show that most of the molecules we designed have sufficient thermodynamic and kinetic stability. Furthermore, the determination factors are confirmed in detail for the thermal stability of title molecules. The detonation velocity and detonation pressure of these molecules have been calculated by Kamlet–Jacobs equation. The calculated results show that these molecules have excellent detonation properties. Considering the stability and detonation properties, four nitro-derivatives of pyrrole (1,2,3-trinitro-1H-pyrrole, 2,3,4-trinitro-1H-pyrrole, 2,3,5-trinitro-1H-pyrrole and 2,3,4,5-tetranitro-1H-pyrrole) are screened out as potential high-energy-density molecules to further study. [ABSTRACT FROM AUTHOR]

Electrocatalytic nitrogen reduction reactions (ENRR) can produce ammonia from nitrogen and water under ambient conditions. Here, we report the morphology-dependent electro-catalytic nitrogen reduction on Ag triangular nanoplates. Boosted by potassium cations, Ag triangular nanoplates with sharp edges exhibit a high faradaic efficiency of 25% with an ammonia yield of 58.5 mg gAg−1 h−1 at a low overpotential of −0.25 V vs. RHE. In comparison, rounded Ag nanoparticles mainly enclosed by {111} and {100} surfaces show a much smaller faradaic efficiency of 16% and ammonia yield of 38 mg gAg−1 h−1 at a larger overpotential (−0.35 V vs. RHE). [ABSTRACT FROM AUTHOR]

Conyza blinii H. Lév., the most effective component is saponin, is a biennial medicinal material that needs to be overwintered. WRKY transcription factors family is a large protein superfamily that plays a predominant role in plant secondary metabolism, but their characteristics and functions have not been identified in C. blinii. The CbWRKY24 sequence was selected from the transcriptome database of the C. blinii leaves constructed in our laboratory. Phylogenetic tree analysis revealed that it was associated with AaWRKY1 which can regulate artemisinin synthesis in Artemisia annua. Expression analysis in C. blinii revealed that CbWRKY24 was mainly induced by methyl jasmonate (MeJA) and cold treatments. Transcriptional activity assay showed that it had an independent biological activity. Overexpression of CbWRKY24 in transient transformed C. blinii resulted in improved total saponins content, which was attributed to upregulate the expression level of keys genes from mevalonate (MVA) pathway in transient transformed plants compared to wild type (WT) plants. Meanwhile, overexpression the CbWRKY24 in transient transformed tomato fruits showed that the transcript level of related genes in lycopene pathway decreased significantly when compared to WT tomato fruits. Additionally, the MeJA-response-element was found in the promoter regions of CbWRKY24 and the histochemical staining experiments showed that promoter had GUS activity in transiently transformed tobacco leaves. In summary, our results indicated that we may have found a transcription factor that can regulate the biosynthesis of terpenoids in C. blinii. [ABSTRACT FROM AUTHOR]

Small molecules are difficult to detect by conventional gold lateral flow assay (GLFA) sensitively because the test system must satisfy the conflict requirements between enough signal intensity and limited antibody (Ab) amount. In this work, a paired labels recognition (PLR)-based biosensor was designed by utilizing the specific binding of Ab and secondary antibody (anti-Ab) to enhance signal intensity and reduce antibody amount applied in small molecule detection. The PLR amplification system is fabricated by self-assembling the common detection probe, Au-labeled Ab (Au-Ab), and the signal booster, Au-labeled anti-Ab (Au-anti-Ab). Benefiting from this, a powerful network structure can be generated to accumulate numerous gold nanoparticles (GNPs) and thus significantly strengthen the signal intensity of detection. Therefore, a lower Ab amount will be applied to offer adequate signal strength, and further, the limit of detection will be obviously downregulated due to the more effective competition reaction. Using furazolidone (FZD) as a model analyte, we achieve a detection limit of as low as 1 ng mL−1, which was at least fivefold improved over that of the traditional GLFA. Furthermore, the practicality of this strategy was certificated in five different food samples.A paired labels recognition (PLR) amplification system is fabricated by self-assembling the common detection probe, Au-labeled Ab (Au-Ab), and the signal booster, Au-labeled anti-Ab (Au-anti-Ab). In this novel strategy, owing to the recognition of both Ab and anti-Ab labeled on gold nanoparticles (GNPs), a powerful network structure can be generated to accumulate numerous GNPs and thus significantly strengthen the signal intensity of detection. [ABSTRACT FROM AUTHOR]

Acute promyelocytic leukemia (APL) is a common subtype of acute myeloid leukemia in China. Since the application of arsenic trioxide and all-trans retinoic acid in the treatment of APL, the prognosis has greatly improved. However, ~20% of patients with APL relapse upon completing chemotherapy. Decreasing the relapse rate and incidence of early mortality may pose the greatest challenges for the future management of APL. Recently, Ets variant 6 (ETV6) was reported to be involved in a variety of translocations associated with hematological malignancies of myeloid and lymphoid origin. To date, little is known about the clinical implication of ETV6 rearrangement in APL. In the present study, ETV6 rearrangement was examined by split-signal fluorescence in situ hybridization in 258 adults with APL, and its association with the clinical features and outcomes of the patients was analyzed. The data suggested that ETV6 rearrangement may be an independent unfavorable prognostic factor for overall survival in APL patients. [ABSTRACT FROM AUTHOR]

Amyloid beta (Aβ) protein aggregates, which include fibrils and oligomers, are neurotoxic and are considered to cause Alzheimer's disease. Thus, separation of these Aβ aggregates from biological samples is important. Herein, we report the use of strongly ferromagnetic few-layer graphene-coated magnetic nanoparticles (C/Co), which were functionalized with a cationic polymer, poly[3-(methacryloyl amino)propyl]trimethylammonium chloride (polyMAPTAC), C/Co@polyMAPTAC, for the adsorption and magnetic separation of Aβ aggregates. Fast adsorption (∼1 min) of Aβ fibrils and oligomers onto the particles was observed. Interestingly, the Aβ monomer was not captured by the particles, suggesting that binding to Aβ molecules is toxic species-selective. Selective adsorption was also observed in the presence of serum albumin protein. We also showed that C/Co@polyMAPTAC could reduce the cytotoxicity of the Aβ aggregate solutions. This study should be useful for further elucidation of the application of nanoparticle adsorption in mediating Aβ toxicity. [ABSTRACT FROM AUTHOR]

As part of a search for high energy density materials (HEDMs), a series of purine derivatives with nitro groups were designed computationally. The relationship between the structures and the performances of these polynitropurines was studied. Density functional theory (DFT) at the B3LYP/6-311G** level was employed to evaluate the heats of formation (HOFs) of the polynitropurines by designing an isodesmic reaction method. Results indicated that the HOFs were influenced by the number and positions of substituent groups. Detonation properties were evaluated using the Kamlet-Jacobs equations, based on the theoretical densities and heats of formation of the polynitropurines. The relative stabilities of the polynitropurines were studied via the pyrolysis mechanism and the UB3LYP/6-311G** method. Homolysis of the ring-NO bond is predicted to be the initial step in the thermal decomposition of these purine derivatives. Considering their detonation properties and relative stabilities, the tetranitropurine (D1) derivatives may be regarded as potential candidates for practical HEDCs. These results may provide useful information for further investigations. [ABSTRACT FROM AUTHOR]

Based on DFT-B3LYP/6-311G** method, the molecular geometric structures of polynitramineprismanes are fully optimized. The detonation performances, energy gaps, strain energies, as well as their stability were investigated to look for high energy density compounds (HEDCs). Our results show that all polynitramineprismanes have high and positive heat of formation. To construct the relationship between stabilities and structures, energy gaps and bond dissociation energies are calculated, and these results show that the energy gaps of prismane derivatives are much higher than that of TATB (0.1630). In addition, the C-C bonds on cage are confirmed as trigger bond in explosive reaction. All polynitramineprismanes have large strain energies, and the strain energies of all compounds are slightly smaller than prismane, which indicated that the strain energies were somewhat released compared to prismane. Considering the quantitative criteria of HEDCs, hexanitramineprismane is a good candidate of high energy compounds. [ABSTRACT FROM AUTHOR]

Based on fully optimized geometric structures at DFT-B3LYP/6-311G** level, we calculated electronic structures, heats of formation, strain energies, bond dissociation energies and detonation performance (detonation velocity and detonation pressure) for a series of polynitraminecubanes. Our results have shown that energy gaps of cubane derivatives are much higher than that of triaminotrinitrobenzene (TATB), which means that cubane derivatives may be more sensitive than TATB. Polynitraminecubanes have high and positive heats of formation, and a good linear relationship between heats of formation and nitramine group numbers was presented. As the number of nitramine groups in the molecule increases, the enthalpies of combustion values are increasingly negative, but the specific enthalpy of combustion values decreases. It is found that all cubane derivatives have high strain energies, which are affected by the number and position of nitramine group. The calculated bond dissociation energies of C-NHNO and C-C bond show that the C-C bond should be the trigger bond in the pyrolysis process. It is found that detonation velocity ( D), detonation pressure ( P) and molecule density ( ρ) have good linear relationship with substituented group numbers. Heptanitraminecubane and octanitraminecubane have good detonation performance over 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane (HMX), and they can be regarded as potential candidates of high energy density compounds (HEDCs). The results have not only shown that these compounds may be used as HEDCs, but also provide some useful information for further investigation. [ABSTRACT FROM AUTHOR]

Using the completed active space second-order perturbation (CASPT2) method, valence and Rydberg excited states of CH2 molecule are probed with the large atomic natural orbital (ANO-L) basis set. Five states are optimized and the geometric parameters are in good agreement with the available data in literatures, furthermore, the state of 21 B1 is obtained for the first time. Valence and Rydberg excited states of CH2 are also calculated for the vertical transitions with the ANO-L+ basis set that is constructed by adding a set of 1s1p1d Rydberg orbitals into the ANO-L basis set. Two Rydberg states of the p̃3 A2 and r̃3 B1 at 9.88 and 10.50 eV are obtained for the first time, and the 3a1 → 3d yz nature of the state p̃3 A2 and the 3a1 → d x2− y2 nature of the state r̃3 B1 are confirmed. © 2012 Wiley Periodicals, Inc. [ABSTRACT FROM AUTHOR]

The derivatives of purine are designed through substituting the hydrogen atoms on it for nitro and amino functional groups. Geometries and frequency are analyzed at the B3LYP/6-31 G** level of density functional theory (DFT). Heats of formation (HOF), bond dissociation energy (BDE) and detonation parameters (detonation velocity and detonation pressure) are obtained in detail at the same level. It is found that the BDE values of all derivatives are over 120KJ·mol, and have high positive heats of formation. These derivatives possess excellent detonation properties, for B1, B2, and C, the detonation velocity are 9.58, 9.57, and 9.90 km·s, and the detonation pressure are 43.40, 46.05, and 46.37 Gpa, respectively, the detonation performances are better than cyclotrimethylenetrinitramine (RDX) and cyclotetramethylenetetranitramine (HMX). Hence, the derivations of purine may be promising well-behaved high energy density materials. [ABSTRACT FROM AUTHOR]

A series of polynitroprismanes, CH(NO) ( n = 1-6) intended for use as high energy density compounds (HEDCs) were designed computationally. Their electronic structures, heats of formation, interactions between nitro groups, specific enthalpies of combustion, bond dissociation energies, and explosive performances (detonation velocities and detonation pressures) were calculated using density functional theory (DFT) with the 6-311 G** basis set. The results showed that all of the polynitroprismanes had high positive heats of formation that increased with the number of substitutions for the prismane derivatives, while the specific enthalpy of combustion decreased as the number of nitro groups increased. In addition, the range of enthalpy of combustion reducing is getting smaller. Interactions between ortho (vicinal) groups deviate from the group additivity rule and decrease as the number of nitro groups increases. In terms of thermodynamic stability, all of the polynitroprismanes had higher bond dissociation energies (BDEs) than RDX and HMX. Detonation velocities and detonation pressures were estimated using modified Kamlet-Jacobs equations based on the heat of detonation ( Q) and the theoretical density of the molecule ( ρ). It was found that ρ, D, and P are strongly linearly related to the number of nitro groups. Taking both their energetic properties and thermal stabilities into account, pentanitroprismane and hexanitroprismane are potential candidate HEDCs. [ABSTRACT FROM AUTHOR]

As a component of diesel exhaust particles, 3-methyl-4-nitrophenol (4-nitro- m-cresol, PNMC) is also a metabolite of the insecticide fenitrothion and imposes hazardous effects on human health. In the present study, the alleviative effect of a common antioxidant flavonoid quercetin on mouse germ cells intoxicated by PNMC was investigated. Results showed that a single intraperitoneal injection of PNMC at 100 mg/kg induced severe testicular damage after one week. PNMC-treated mice showed a significant loss of germ cells (approximate 40% loss of round germ cells). PNMC caused an increase of hydroxyl radical and hydrogen peroxide production and lipid peroxidation, as well as a decrease in glutathione level, superoxide dismutase and glutathione peroxidase activities. Furthermore, treatment of PNMC increased expression of the pro-apoptotic protein Bax and decreased expression of the anti-apoptotic protein Bcl-XL in germ cells. In addition, testicular caspase-3 activity was significantly up-regulated and germ cell apoptosis was significantly increased in the PNMC-treated mice. In contrast, combined administration of quercetin at 75 mg/kg significantly attenuated PNMC-induced testicular toxicity. These results indicate that the antioxidant quercetin displays a remarkable protective effect on PNMC-induced oxidative damage in mouse testes and may represent an efficient supplement to attenuate reproductive toxicity by environmental toxicants to ensure healthy sperm production. [ABSTRACT FROM AUTHOR]

The singlet and triplet excited states of hydrogen cyanide have been computed by using the complete active space self-consistent field and completed active space second order perturbation methods with the atomic natural orbital (ANO-L) basis set. Through calculations of vertical excitation energies, we have probed the transitions from ground state to valence excited states, and further extensions to the Rydberg states are achieved by adding 1s1p1d Rydberg orbitals into the ANO-L basis set. Four singlet and nine triplet excited states have been optimized. The computed adiabatic energies and the vertical transition energies agree well with the available experimental data and the inconsistencies with the available theoretical reports are discussed in detail. © 2011 Wiley Periodicals, Inc. J Comput Chem, 2011 [ABSTRACT FROM AUTHOR]

The rhizoid of Laminaria japonica is widely used in Chinese medicine as a treatment for diabetes. Therefore, a bioactivity-tailored isolation and detailed chemical characterization was used to identify the antidiabetes compounds found in the L. japonica rhizoid. Liquid chromatography/mass spectrometry (LC/MS), proton NMR and carbon NMR spectra analyses demonstrated that the active compound was butyl-isobutyl-phthalate (BIP). BIP demonstrated a significant concentration-dependent, non-competitive inhibitory activity against α-glucosidase in vitro, with an IC(50) of 38 μm. In vivo, the ethyl acetate fraction (EAF) and purified BIP displayed a significant hypoglycemic effect in streptozocin-induced diabetic mice. The present study indicates BIP could be considered as an α-glucosidase inhibitor and developed as an important antidiabetes agent for type II diabetes therapy. [ABSTRACT FROM AUTHOR]

The rhizoid of Laminaria japonica is widely used in Chinese medicine as a treatment for diabetes. Therefore, a bioactivity-tailored isolation and detailed chemical characterization was used to identify the antidiabetes compounds found in the L. japonica rhizoid. Liquid chromatography/mass spectrometry (LC/MS), proton NMR and carbon NMR spectra analyses demonstrated that the active compound was butyl-isobutyl-phthalate (BIP). BIP demonstrated a significant concentration-dependent, non-competitive inhibitory activity against α-glucosidase in vitro, with an IC50 of 38 μ m. In vivo, the ethyl acetate fraction (EAF) and purified BIP displayed a significant hypoglycemic effect in streptozocin-induced diabetic mice. The present study indicates BIP could be considered as an α-glucosidase inhibitor and developed as an important antidiabetes agent for type II diabetes therapy. Copyright © 2010 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

Using the complete active space self-consistent field method with a large atomic natural orbital basis set, 10, 13, and 9 electronic states of the OClO radical, OClO+ cation, and OClO- anion were calculated, respectively. Taking the further correlation effects into account, the second-order perturbation (CASPT2) calculations were carried out for the energetic calibration. The photoelectron spectroscopy of the OClO radical and OClO- anion were extensively studied in the both case of the adiabatic and vertical ionization energies. The calculated results presented the relatively complete assignment of the photoelectron bands of the experiments for OClO and its anion. Furthermore, the Rydberg states of the OClO radical were investigated by using multiconfigurational CASPT2 (MS-CASPT2) theory under the basis set of large atomic natural orbital functions augmented with an adapted 1s1p1d Rydberg functions that have specially been built for this study. Sixteen Rydberg states were obtained and the results were consistent with the experimental results. © 2006 Wiley Periodicals, Inc. J Comput Chem 28: 467–477, 2007 [ABSTRACT FROM AUTHOR]

Dark field imaging was employed to visualize and quantify complementary DNA-induced gold nanoparticle aggregation at the single-particle level, with a detection limit of 100 fM DNA, which allows the highly sensitive detection of single nucleotide polymorphisms (SNPs). Results suggested that the aggregation process is consistent with the cluster–cluster model. [ABSTRACT FROM AUTHOR]

Silicon-doped carbon quantum dots (Si-CQDs) were employed to fabricate a ratiometric fluorometric probe that shows high selectivity for hydroquinone (HQ). The Si-CQDs were prepared through hydrothermal treatment of N-[3-(trimethoxysilyl)propyl]-ethylenediamine. If HQ is oxidized in a solution of the Si-CQDs, 1,4-benzoquinone will be formed which quenches the blue fluorescence (with excitation/emission peaks at 360/435 nm) of the Si-CQDs. Simultaneously, intense green fluorescence (with a emission peak at 513 nm) appears, probably due to the formation of n-π clathrates or of a quinone imine between 1,4-benzoquinone and amino groups on the surface of the Si-CQDs. The ratio of the green and blue fluorescence can be applied to the determination of HQ with a 0.077 μM detection limit. The analytical range extends from 1 to 40 μM. [ABSTRACT FROM AUTHOR]

Background: Blastocystis is one of the most common intestinal parasites in humans and animals worldwide. At least 17 subtypes have been identified in mammals and birds. In China, although some studies have reported the occurrence of Blastocystis in humans and animals, our understanding of the role of animals in the transmission of human blastocystosis is only superficial due to a paucity of available molecular data. The aim of the present study was to understand infection rates of Blastocystis and the distribution and genetic diversity of subtypes in various mammal and bird species in northeastern China, as well as to assess the zoonotic potential of Blastocystis isolates. Methods: A total of 1265 fresh fecal specimens (1080 from ten mammal species and 185 from eight bird species) were collected in Heilongjiang, Liaoning and Jilin provinces of China. Each specimen was examined for the presence of Blastocystis by PCR amplification and sequence analysis of the partial SSU rRNA gene. Results: Fifty-four specimens (4.3%) were positive for Blastocystis. Birds (7.0%) had a higher infection rate of Blastocystis than mammals (3.8%). Blastocystis was found in seven mammal species, reindeer (6.7%), sika deer (14.6%), racoon dogs (7.5%), Arctic foxes (1.9%), dogs (2.9%), rats (3.7%) and rabbits (3.3%), as well as three bird species, pigeons (2.1%), chickens (13.0%) and red crowned cranes (14.0%). Eight subtypes were identified including ST1 (n = 5), ST3 (n = 3), ST4 (n = 13), ST6 (n = 8), ST7 (n = 6), ST10 (n = 13), ST13 (n = 4) and ST14 (n = 2). 64.8% (35/54) of Blastocystis isolates belonged to potentially zoonotic subtypes. Conclusions: To our knowledge, this is the first report of Blastocystis in reindeer (ST10 and ST13), rabbits (ST4), racoon dogs (ST3) and Arctic foxes (ST1, ST4 and ST7). The findings of potentially zoonotic subtypes suggest that the animals infected with Blastocystis might pose a threat to human health. These data will improve our understanding of the host range and genetic diversity of Blastocystis, and also help develop efficient control strategies to intervene with and prevent the occurrence of human blastocystosis in the investigated areas. [ABSTRACT FROM AUTHOR]