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[Objectives] An ultra performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) method was established for simultaneous determination of 26 antibiotics in the water around landfills. [Methods] After an HLB solid-phase extraction column was activated, and a water sample, which was adjusted with phosphoric acid to a pH of (2±0.5) and added with 500 mg of disodium EDTA, was loaded, and 5 ml of water and 20% methanol water was added for washing. Next, 10 ml of elution solution was added for elution, and the collected eluate was evaporated under reduced pressure at 40 °C to near dryness, and 1 ml of reconstitution solution was added to a constant volume. An ACQUITY UPLC BEH C18 (100 mm ×2.1 mm, 2.6 µm) chromatographic column was adopted for LC separation by gradient elution with 0.1% formic acid aqueous solution-acetonitrile as the mobile phase. For MS detection, the MRM mode was adopted for collection, and the positive and negative ion modes were switched for simultaneous determination, and the internal standard method was used for quantification. [Results] The correlation coefficient R2 was greater than 0.99 in the linear range of each target substance. The limits of detection ranged from 0. 15 to 3.00 ng/L, and the limits of quantitation were between 0.80 and 10.00 ng/L, and the recoveries ranged from 77.9% to 104.85%. [Conclusions] The method has high sensitivity, good accuracy and strong practical value. [ABSTRACT FROM AUTHOR]

We describe the development of the tangent linear (TL) and adjoint models of the MPAS-CO2 transport model, which is a global online chemical transport model developed upon the non-hydrostatic Model for Prediction Across Scales- Atmosphere (MPAS-A). The primary goal is to make the model system a valuable research tool for investigating atmospheric carbon transport and inverse modeling. First, we develop the TL code, encompassing all CO2 transport processes within the MPAS-CO2 forward model. Then, we construct the adjoint model using a combined strategy involving re-calculation and storage of the essential meteorological variables needed for CO2 transport. This strategy allows the adjoint model to undertake long-period integration with moderate memory demands. To ensure accuracy, the TL and adjoint models undergo vigorous verifications through a series of standard tests. The adjoint model, through backward-in-time integration, calculates the sensitivity of atmospheric CO2 observations to surface CO2 fluxes and the initial atmospheric CO2 mixing ratio. To demonstrate the utility of the newly-developed adjoint model, we conduct simulations for two types of atmospheric CO2 observations: tower-based in situ CO2 mixing ratio and satellite-derived column-averaged (XCO2 ). A comparison between the sensitivity to surface flux calculated by the MPAS-CO2 adjoint model with its counterpart from Carbon Tracker-Lagrange (CT-L) reveals spatial agreement but notable magnitude differences. These differences, particularly evident for XCO2, likely arise from differences in vertical mixing between the two systems. Moreover, this comparison highlights the substantial loss of information in the atmospheric CO2 observations due to CT-L's simulation length and spatial domain limitations. Furthermore, the adjoint sensitivity analysis demonstrates that the sensitivities to both surface flux and initial CO2 conditions spread out throughout the entire northern hemisphere within a month. MPAS-CO2 forward, TL, and adjoint models stand out for their calculation efficiency and variable-resolution capability, making them competitive in computational cost. In conclusion, the successful development of the MPAS-CO2 TL and adjoint models, and their integration into the MPAS-CO2 system, establish the possibility of using MPAS's unique features in atmospheric CO2 transport sensitivity studies and in inverse modeling with advanced methods such as variational data assimilation. [ABSTRACT FROM AUTHOR]

In the biomedical field, the time interval from infection to medical diagnosis is a random variable that obeys the log-normal distribution in general. Inspired by this biological law, we propose a novel back-projection infected–susceptible–infected-based long short-term memory (BPISI-LSTM) neural network for pandemic prediction. The multimodal data, including disease-related data and migration information, are used to model the impact of social contact on disease transmission. The proposed model not only predicts the number of confirmed cases, but also estimates the number of infected cases. We evaluate the proposed model on the COVID-19 datasets from India, Austria, and Indonesia. In terms of predicting the number of confirmed cases, our model outperforms the latest epidemiological modeling methods, such as vSIR, and intelligent algorithms, such as LSTM, for both short-term and long-term predictions, which shows the superiority of bio-inspired intelligent algorithms. In general, the use of mobility information improves the prediction accuracy of the model. Moreover, the number of infected cases in these three countries is also estimated, which is an unobservable but crucial indicator for the control of the pandemic. [ABSTRACT FROM AUTHOR]

China's Clinical Medicine Level Test (CMLT) was designed to evaluate the key factors that affect the learning outcome of medical students prior to entering clinical practice. In this study, we systemically analyzed the performance of a cohort of medical students at Jinan University School of Medicine participating in the recent CMLT. The analytical results of the medical students' written and objective structured clinical examination (OSCE) scores showed that their academic performance was predominantly associated with students' internship allocations, although other demographic characteristics such as sex, age, geographical origin of students, and grade point average (GPA) might be sporadically related to the students' OSCE performance at different OSCE stations. To explore the inherent reasons behind this, a survey was implemented among the medical students who participated in the examination to further interpret the factors influencing the students' learning outcome. The findings of this questionnaire manifested that intrinsic motivation and identified regulation acted as the major motivational profiles for the medical students from three different internship sites, whereas external regulation emerged as the crucial factor to make the students perform well academically in the CMLT. The result of this study suggested that strengthening the quality control of the clinical learning environment and improving medical administration may still be the most effective approaches to ensure the quality of clinical medical education. [ABSTRACT FROM AUTHOR]

Background: Previous studies found that about 24% of the mild cognitive impairment (MCI) patients reverse to cognitive normal (CN) status. However, it is unclear which modifiable factors are associated with this reversion.Objective: To identify potential modifiable factors associated with the reversion of MCI to CN status.Methods: We conducted a prospective community-based cohort study based on 2002-2018 Chinese Longitudinal Health Longevity Survey (CLHLS). Multivariable Cox regression with least absolute shrinkage and selection operator (LASSO) penalty for variable selection was adopted to investigate the associations between reversion to CN and potential modifiable dietary/lifestyle, cardiometabolic, and psychological factors.Results: Our analysis included 7,422 MCI participants [average age: 90.0 (SD 9.5) years]. Among these participants, 1,604 (21.6%) reversed from MCI to CN with a mean (SD) follow-up of 2.9 (1.8) years. Several dietary/lifestyle factors, including daily consumption of fresh fruits (Hazard Ratio [HR]: 1.28, 95% CI: 1.15 to 1.42), engagement in reading (HR: 1.24, 95% CI: 1.00 to 1.54), housework (HR: 1.21, 95% CI: 1.08 to 1.35), and mah-jongg or other card games (HR: 1.23, 95% CI: 1.08 to 1.39), were positively associated with possibility of reversion. Cigarette smoking (HR: 0.92, 95% CI: 0.84 to 1.00) and duration of alcohol drinking (HR: 0.97, 95% CI: 0.94 to 0.99) were negatively associated with possibility of reversion. None of the modifiable cardiometabolic and psychological factors was found to be significantly associated with reversion to CN.Conclusion: This study identified several dietary/lifestyle factors associated with MCI reversion that may transfer into large-scale dementia prevention practices. [ABSTRACT FROM AUTHOR]

The catalytic performance towards methanol synthesis from CO 2 hydrogenation is enhanced by incorporating Ga into ZnZrO x solid solution catalyst. The results from chemisorption and H 2 -D 2 exchange as well as in situ DRIFTS show the promoting role of incorporating Ga mainly reflects in improving the adsorption and activation of H 2 and CO 2 and in boosting the hydrogenation of HCOO* to CH 3 O*. [Display omitted] • The methanol synthesis activity is enhanced by incorporated Ga. • The adsorption and activation of H 2 and CO 2 are greatly promoted by incorporated Ga. • The hydrogenation of HCOO* to CH 3 O* is boosted by incorporated Ga. Catalytic conversion of CO 2 into methanol utilizing green hydrogen produced from renewable energy is a promising route to realize carbon neutrality. Although ZnZrO x solid solution catalyst displays excellent catalytic performance, it is still highly desired to make any further improvement. Herein, we found the promoting effect of incorporating Ga into ZnZrO x solid solution catalyst in CO 2 hydrogenation to methanol. Ga promoted ZnZrO x (GaZnZrO x) solid solution catalyst exhibits CO 2 conversion of 8.8% and methanol space time yield of 630 mg g cat −1 h−1 that are higher than those of ZnZrO x solid solution catalyst (7.7%, 556 mg g cat −1 h−1) at 320 °C, while the highly selectivity toward methanol remains unchanged. Chemisorption and H 2 -D 2 exchange results show that GaZnZrO x solid solution catalyst displays higher capacity for the adsorption and activation of H 2 than ZnZrO x solid solution catalyst. Electron paramagnetic resonance result suggests that more oxygen vacancies are derived after incorporating Ga into ZnZrO x solid solution catalyst. In situ diffuse reflectance infrared Fourier transform spectra indicate that the HCOO* and CH 3 O* species are the main intermediate species. The higher IR intensity of intermediate species and lower CH 3 O*/HCOO* ratio on GaZnZrO x solid solution catalyst suggest that the hydrogenation of HCOO* to CH 3 O* is boosted. These results reveal the promoting effect of incorporated Ga into ZnZrO x solid solution catalyst that improves the adsorption and activation of H 2 and CO 2 , thus enhancing catalytic performance of methanol synthesis from CO 2 hydrogenation. [ABSTRACT FROM AUTHOR]

The 2,2‐dimethyl‐2H‐chromene motif is widely found in many bioactive molecules, and is a privileged structure in the pharmaceutical arena. We have developed a concise and regioselective approach to chromenes and chromanes through an aryne‐based synthetic strategy. A practical, gram‐scale synthetic route to a chromene‐type aryne precursor was explored. Subsequently, cyclization under mild conditions afforded tetracyclic xanthone skeletons with excellent regioselectivity. Our approach provides a concise strategy for the gram‐scale synthesis of chromene‐type xanthones such as 6‐deoxyisojacareubin, cylindroxanthone D, staudtiixanthone D, brasilixanthone A and cudracuspixanthone O. [ABSTRACT FROM AUTHOR]

Since 1973, the Hong Kong Special Administrative Region ("HKSAR") government has succeeded in decentralizing its population from the overcrowded urban area to the satellite towns. During this time, many low-income people had also relocated to the new satellite towns for affordable public rental housing ("PRH") where originally the government expected manufacturing factories in urban areas to relocate there during suburbanisation. However, instead, the factories mostly moved to Mainland China, while service jobs still clustered at the central business districts in Hong Kong, resulting in "Spatial Mismatch" between jobs and residents in the new towns. Poor people living in PRH may suffer from high travel costs for remote job opportunities and are thus more likely to be unemployed than their urban counterparts. To tackle this problem, in 2007, the HKSAR government launched the Transport Support Scheme ("TSS") that provides transport allowance to job seekers and low-income employees in the four remote districts to encourage cross-district employment. In this study, the effectiveness of this scheme in reducing unemployment and extending the commuting distances for job opportunities for the PRH residents are evaluated. A difference-in-difference model is used to compare the probabilities of being unemployed and the commuting distances between residents in the eligible and the non-eligible areas before and after the launch of the TSS. It is observed that the TSS has significantly decreased the probability of unemployment among the PRH residents living in the four eligible districts, especially among the young and middle-aged male residents. Conditional upon employment, the TSS also increased cross-district employment among the middle-aged female residents. This study provides strong evidence on the effectiveness of the TSS and casts practical implications for transport support policies in compact cities that heavily rely on their public transport system. • Transport Support Scheme ("TSS") is launched to encourage people living in remote areas to find jobs in other districts. • TSS has significantly decreased the unemployment rate among the PRH residents living in the four eligible districts. • Conditional upon employment, TSS also increased cross-district employment, especially among the middle-aged women. [ABSTRACT FROM AUTHOR]

• New deep 35 convolutional layers structure without loss explosion. • More accurate SR performance than current state-of-the-art methods. • Real time application and human-eye recognition at execution speed of 27 fps. Recently, Convolutional Network (CNN) has become an excellent solution to solve single image super resolution (SISR) problems. In this paper, a novel Deep Parallel Residual Network (DPRN) has been proposed which has been proved to be a fast and efficient algorithm to solve SISR problems using residual learning. It demonstrated significant advantages in accuracy and speed factors than other approaches with its deeper convolutional network structure, more accurate image reconstruction and real-time model execution. The proposed approach categorizes layers in branches and increases the number of layers to 35 with parallel local residual learning. Also, it adapts the Adam optimizer which can make the proposed system to achieve faster training speed and better image quality. Our experiments have been conducted using standard benchmark datasets such as Set5, Set14, BSDS100 and Urban100 and compared with current state-of-the-art approaches. Our results show that the proposed DPRN can provide higher super resolution quality with real time execution (27.18 fps average) when compare with different state-of-the-art algorithms. [ABSTRACT FROM AUTHOR]

Graphical abstract Highlights • Chiral copper complex has been successfully used to promote the Mannich reaction involving O -nucleophiles. • The application of tridentate N , P -ligands based on chiral hexane backbone has been expanded. • New catalytic system for the construction of chiral 3-amino-2-oxindoles from isatin-derived ketimines has been explored. • New methodology for asymmetric synthesis of chiral N , O -aminals has been developed. Abstract The first copper-catalyzed enantioselective addition of alcohols to imines was described. In the presence of 1 mol% Cu(OAc) 2 complexed with chiral cyclohexane-based N , P -ligand L4 , chiral isatin-derived N , O -aminals were obtained in excellent yields (93–99%) and good-to-excellent enantioselectivities (up to 93% ee) under mild conditions. [ABSTRACT FROM AUTHOR]

Abstract A highly enantioselective Michael/cyclization tandem reaction between dimedone and isatylidene malononitriles has been developed. With 5 mol% of bifunctional organocatalyst C15 , chiral spiro[2-amino-4 H -pyran-oxindole] derivatives were obtained in excellent yields (97–99%) with excellent enantioselectivities (up to > 99% ee). Graphical abstract Image 1 [ABSTRACT FROM AUTHOR]

An organocatalytic enantioselective allylic alkylation of 5 H -oxazol-4-ones with Morita-Baylis-Hillman carbonates has been developed. With 10 mol% of commercially available cinchonidine, a wide range of substituted 5 H -oxazol-4-one derivatives were constructed in good-to-excellent yields with high diastereo- and enantioselectivities. The allylic alkylation adducts obtained are valuable precursors for the synthesis of chiral α-alkyl α-hydroxycarboxylic acid derivatives, which represent a series of versatile building blocks in many biologically active compounds. [ABSTRACT FROM AUTHOR]

Objective: This present study aims to estimate the structural validity, internal consistency reliability of the LSNS-6 and examine the associations between the LSNS-6 and suicidal outcomes among mainland Chinese older adults. Methods: This validation study used a big representative sample (N = 2819) of older adults in Beijing from the Sample Survey on Aged Population in Urban/Rural China. Confirmatory factor analyses (CFA) were applied to examine the factor structures of the Chinese version of LSNS-6. Internal consistency reliability of the LSNS-6 was examined by Cronbach’s alpha coefficient and the corrected item-total correlation. Logistic regression analyses were used to explore the associations between the LSNS-6 and late-life death wishes, suicidal ideation in mainland Chinese. Findings: This present study showed good internal consistency and consistent factor structure of the LSNS-6 as well as its subscales. The present data demonstrated the LSNS-6 could be a useful tool for assessing social networks among older mainland Chinese. Interestingly, among the mainland Chinese, late-life suicidality was highly associated with the LSNS-6 family subscale, rather than the friends subscale. Conclusion: The LSNS-6 could be a useful tool for assessing social networks among older mainland Chinese. In addition, suggestion is made to improve social networks, especially in family bonds and support, as a promising strategy in reducing late-life suicide risks in mainland China. [ABSTRACT FROM AUTHOR]

In this study, the bio-oxidation of galactitol to the valuable d-tagatose is presented. This proposed strategy could start with the refined by-product of waste xylose mother liquor formed by chemical hydrogenation. Through a computationally guided enzyme screening approach, a robust polyol dehydrogenase (PdPDH) was rapidly identified from a massive number of candidates. When coupled with a water-forming NADH oxidase (StNOX) for environmentally benign cofactor regeneration, subsequent reaction optimization facilitated the complete transformation of 100 g L−1 galactitol into the desired product within 15 h, with a yield of 91% in a 2 L scale preparative reaction. Compared to the current enzymatic isomerization system, our approach avoids low conversion, high operative temperatures and by-product formation, while enabling simplified product isolation. [ABSTRACT FROM AUTHOR]

[Display omitted] Chiral borates can undergo various transformations that occur with high stereospecificity, so they are of great significance in asymmetric synthesis. Herein we described a new catalytic system for copper-catalyzed asymmetric conjugate hydroboration of α,β-unsaturated amides. Under the optimal conditions, the reactions proceeded smoothly to afford the corresponding chiral β-hydroxyl amides with up to 96% yield and 84% ee by employing chiral N,P-ligand. The reaction conditions are mild, the operation is simple, and it has good substrate generality. [ABSTRACT FROM AUTHOR]

As a potential substitute for petroleum-based terephthalic acid (TPA) in the manufacture of polyesters, 2,5-furandicarboxylic acid has been obtained through several feasible routes. Herein, a new chemo-enzymatic strategy for generating furan-2,5-dicarboxylic acid (FDCA) precursors from sodium gluconate via bio-oxidation and dehydration is presented. By coupling the bio-oxidation of gluconate 5-dehydrogenase with carbonyl reductase PsCR for cofactor regeneration, 5-keto- D -gluconic acid (5KGA), a specific product of D -gluconic acid bio-oxidation and a stable intermediate, was obtained in 99% yield. The statin intermediate ethyl (S)-4-chloro-3-hydroxybutanoate was simultaneously generated as a co-product via cycling cascade catalysis. Subsequently, the yield of the FDCA precursor n-butyl-5-formyl-2-furancarboxylate (nBu-FFCA) generated via 5KGA dehydration and esterification reached 77.9%. Key intermediate characterization and theoretical calculations revealed that the decarboxylation and dehydration of cyclic 5KGA to furfural was the main side-reaction that prevented a better yield of dehydrated 5KGA. This route demonstrates good sustainability and market competitiveness compared to the existing FDCA synthesis methods. [ABSTRACT FROM AUTHOR]

In this work, a green and efficient process was developed for the preparation of ultrafine BaSO3 with layered nanostructure surface via the reaction of BaCl2 with a SO2 storage material (SO2SM) at room temperature. The absorption of SO2 with equimolar ethylenediamine (EDA) and ethylene glycol (EG) afforded SO2SM, which not only offered alkyl sulfite but also released EDA and EG that served as efficient surfactants to promote the formation of BaSO3 with spherical morphology and porous structure in the process of synthesis of ultrafine BaSO3. The factors affecting the morphology and size of BaSO3 particle were assessed by investigating the effects of SO2SM concentration, BaCl2 concentration, stirring time and speed. It was found that a higher SO2SM concentration led to a higher degree of supersaturation, and the particle size of BaSO3 could be reduced by increasing SO2SM concentration. Moreover, under the identified optimal reaction conditions, ultrafine BaSO3 was obtained with an average diameter of 450 nm. In addition, a plausible formation process of BaSO3 was proposed to explain the observed reaction results. Overall, the developed process in this work provides an efficient method for the capture, utilization, and conversion of SO2 into a valuable chemical. [ABSTRACT FROM AUTHOR]

The first organocatalytic enantioselective cascade reaction of Morita–Baylis–Hillman acetates of nitroalkenes with pyrazolones has been developed. With 20 mol % of chiral tertiary-amine squaramide, 1,4,5,6-tetrahydropyrano[2,3-c]pyrazoles were afforded in moderate yields (up to 71%) with excellent stereoselectivities (up to>99:1 dr and up to 98% ee). [ABSTRACT FROM AUTHOR]

A highly enantioselective Michael addition reaction of α,α-disubstituted aldehydes to β-nitrostyrenes has been developed. In the presence of rosin-based chiral primary amine-thiourea, γ-nitroaldehydes were afforded in excellent enantioselectivities (up to 99 % ee) with up to 99 % yield. [ABSTRACT FROM AUTHOR]

Density ( ρ ) and viscosity ( η ) data for the binary system of polyethylene glycol 600 (PEG) + 1,2-ethanediamine (EDA) over the entire concentration range at a number of temperatures T = (298.15, 303.15, 308.15, 313.15, and 318.15) K as a function of composition were measured under atmospheric pressure. On the basis of experimental density and viscosity data, the excess properties of PEG (1) + EDA (2) mixtures, including excess molar volumes ( V m E ), viscosity deviations (∆ η ), excess free energies of activation (∆ G * E ), apparent molar volumes ( V ϕ ,1 and V ϕ ,2 ), partial molar volumes ( V 1 ̅ and V 2 ̅ ), and isobaric thermal expansion coefficient ( α p ), were calculated. Meanwhile, the values of V m E , ∆ η , and ∆ G * E were fitted with the Redlich–Kister equation to derive coefficients and to evaluate the standard deviations ( σ ) between the experimental and calculated values. Moreover, on the basis of FTIR and UV–vis spectral data of PEG (1) + EDA (2) mixtures with various concentrations, the intermolecular interaction of PEG with EDA was discussed. [ABSTRACT FROM AUTHOR]

Background: Hexokinase-2 (HK2) and Beta2-adrenergic receptor (Beta2AR) are overexpressed in hepatocellular carcinoma (HCC) tissues and associated with poor prognosis. However, the synergistic effect of HK2 and Beta2AR in HCC prognosis is not elucidated. The present study aims to investigate the association between HK2 and Beta2AR expressions in HCC tissues, and to evaluate the synergistic effect of HK2 and Beta2AR in HCC prognosis.Methods: Immunohistochemistry of HK2 and Beta2AR was performed on 155 paraffin embedded HCC samples retrieved from the archives of pathology department. Corresponding clinical data and prognostic data were collected through searching medical record systems, death registration systems and interviews with patient families. Spearman correlation test was performed to evaluate the association between HK2 and Beta2AR expression. Kaplan-Meier survival curves and Cox regressions were employed to evaluate HK2 and Beta2AR expression in HCC prognosis, respectively and synergistically.Results: 109 of 155 HCC patients reached the death point, the survival time of HCC patients was 46.23 ± 31.01 months after curative surgical resections of HCC. Kaplan-Meier survival analysis showed that large tumor size (more than 5 cm) (hazard ratio (HR) = 8.42, 95 % confidence interval (CI) = 3.81-18.59, P < 0.0001), advanced TNM stage (III and IV stages) (HR = 2.09, 95%CI = 1.21-3.62, P < 0.001) and AFP more than 20 μg/L (HR = 1.49, 95%CI = 1.02-2.18, P = 0.0302) were predictors for poor prognosis. HK2 and Beta2AR positive expression was detected in 66 (42.58) and 122 (78.71 %) HCC samples respectively. In univariate analysis, HK2(+) (HR = 2.70, 95%CI = 1.76-4.15, P < 0.0001) and Beta2AR(+) (HR = 4.61, 96%CI = 3.14-6.76, P < 0.0001) were associated with poor prognosis. In multivariate analysis, HK2(+) (P < 0.0001) and Beta2AR(+) (P < 0.0001) were also associated with poor prognosis. HK2(+)/Beta2AR(+) in HCC samples had poorer prognosis compared with HK2(-)/Beta2AR(-) in both univariate analysis (HR = 4.69, 95%CI = 2.91-7.57, P < 0.0001) and multivariate analysis (P < 0.0001). HK2(+)/Beta2AR(+) in HCC samples had poorer prognosis compared with HK2(-)/Beta2AR(+) in both univariate analysis (HR = 1.76, 95%CI = 1.17-2.64, P = 0.003) and multivariate analysis (P = 0.004).Conclusion: HK2 and Beta2AR play important roles in HCC progression. HK2 and Beta2AR expression in HCC is correlated positively. Beta2AR may increase HCC invasion and metastasis in collaboration with HK2. HK2 and Beta2AR can predict HCC prognosis both independently and synergistically. [ABSTRACT FROM AUTHOR]

Density and dynamic viscosity data were measured over the whole concentration range for the binary system 1,4-butanediol (1) + water (2) atT = (293.15, 298.15, 303.15, 308.15, 313.15, and 318.15) K as a function of composition under atmospheric pressure. Based on density and dynamic viscosity data, excess molar density (ρE), dynamic viscosity deviation (Δν) and excess molar volume (VmE) were calculated. From the dynamic viscosity data, excess Gibbs energies (ΔG*E), Gibbs free energy of activation of viscous flow (ΔG*), enthalpy of activation for viscous flow (ΔH*) and entropy of activation for viscous flow (ΔS*) were also calculated. TheρE, VmE, Δνand ΔG*Evalues were correlated by a Redlich−Kister-type function to obtain the coefficients and to estimate the standard deviations between the experimental and calculated quantities. Based on FTIR and UV spectral results, the intermolecular interaction of 1,4-butanediol with H2O was discussed. [ABSTRACT FROM PUBLISHER]

Isothermal gas–liquid equilibrium (GLE) data were measured at 298.15 K and 122.66 kPa for dilute SO 2 in the binary system ethylene glycol (EG) + dimethyl sulfoxide (DMSO), in which SO 2 partial pressures were calculated in range of (0–130) Pa. The solubility of dilute SO 2 in the binary system gradually increased with the increasing DMSO concentration in the whole composition. Based on the GLE data, Henry’s law constants ( HLC ) of dilute SO 2 in the binary system EG (1) + DMSO (2) were obtained. The regeneration experiments showed that the 97.6% SO 2 could be separated from the dissolving SO 2 solution at 80 °C and bubbling N 2 within 30 min; meanwhile, SO 2 desorption ran smoothly and solubility of SO 2 no significant dropped after five-successive absorption–desorption cycles. Furthermore, to obtain important reaction mechanism, the intermolecular interaction among SO 2 , EG, and DMSO were investigated by UV–vis, FTIR, and 1 H NMR spectroscopic techniques. Spectral results showed that the interaction among EG, DMSO, and SO 2 were resulted from both the O → S charge-transfer interaction and intermolecular hydrogen bonding. [ABSTRACT FROM AUTHOR]

Densities and viscosities were measured under atmospheric pressure over the entire concentration range for the binary system 1,2-ethanediamine (EDA) + 1,4-butanediol (BDO) at T = 293.15, 298.15, 303.15, 308.15, 313.15, and 318.15 K as a function of composition. Based on density and viscosity data, excess molar volumes ( V m E ) and dynamic viscosity deviations (∆ν) were calculated. V m E and ∆ν values were correlated by a Redlich–Kister type function to obtain the coefficients and to estimate the standard deviation between the experimental and calculated quantities. Based on FTIR and UV–vis spectral results, the intermolecular interaction between EDA and BDO was discussed. [ABSTRACT FROM AUTHOR]

A facile synthetic method for the preparation of di- and trisubstituted pyridines with high regioselectivity through an intramolecular pericyclization strategy is disclosed. The multicomponent reaction of isocyanides, arynes, and 3-bromopropyne affords disubstituted pyridines in good yields. In contrast, the use of 3-acetoxypropyne results in the formation of trisubstituted pyridines through intramolecular pericyclization of an in situ formed azatriene. In this way, desirable pyridines can be constructed in a one-pot manner. [ABSTRACT FROM AUTHOR]

A class of bifunctional phosphinothioureas derived from saccharide was developed as new organocatalysts for the enantioselective Morita-Baylis-Hillman reaction between acrylates and aldehydes. With 10 mol% of glucose-based phosphinothiourea 1d, the allylic alcohols were obtained in up to 96% yield and 83% ee under mild reaction conditions. [ABSTRACT FROM AUTHOR]

The hydrochalcogenation of allenyl sulfones with sodium organyl chalcogenolates can proceed smoothly to give β‐phenylchalcogenyl allyl sulfones in high yields with exclusive regioselectivity. For the asymmetric allenyl sulfone, the reaction has both high regio‐ and stereoselectivity with the predominace of E ‐isomer. Some applications of β‐phenyltelluro and β‐phenylselanyl allyl sulfone in organic synthesis are also investigated. [ABSTRACT FROM AUTHOR]

The significant differences in data domains between SAR images and the expensive and time-consuming process of data labeling pose significant challenges to terrain classification. Current terrain classification methodologies face challenges in addressing domain disparities and detecting uncommon terrain effectively. Based on Style Transformation and Domain Metrics (STDMs), we propose an unsupervised domain adaptive framework named STDM-UDA for terrain classification in this paper, which consists of two steps: image style transfer and domain adaptive segmentation. As a first step, image style transfer is performed within the image space to mitigate the differences in low-level features between SAR image domains. Subsequently, leveraging this process, the segmentation network extracts image features, employing domain metrics and adversarial training to enhance alignment between domain gaps in the semantic feature space. Finally, experiments conducted on several pairs of SAR images, each exhibiting varying degrees of differences in key imaging parameters such as source, resolution, band, and polarization, demonstrate the robustness of the proposed method. It achieves remarkably competitive classification accuracy, particularly for unlabeled, high-resolution broad scenes, effectively overcoming the domain gaps introduced by the diverse imaging parameters under studies. [ABSTRACT FROM AUTHOR]

Effective features play an important role in synthetic aperture radar (SAR) image interpretation. However, since SAR images contain a variety of terrain types, it is not easy to extract effective features of different terrains from SAR images. Deep learning methods require a large amount of labeled data, but the difficulty of SAR image annotation limits the performance of deep learning models. SAR images have inevitable geometric distortion and coherence speckle noise, which makes it difficult to extract effective features from SAR images. If effective semantic context features cannot be learned for SAR images, the extracted features struggle to distinguish different terrain categories. Some existing terrain classification methods are very limited and can only be applied to some specified SAR images. To solve these problems, a jigsaw puzzle self-supervised learning (JPSSL) framework is proposed. The framework comprises a jigsaw puzzle pretext task and a terrain classification downstream task. In the pretext task, the information in the SAR image is learned by completing the SAR image jigsaw puzzle to extract effective features. The terrain classification downstream task is trained using only a small number of labeled data. Finally, fully connected conditional random field processing is performed to eliminate noise points and obtain a high-quality terrain classification result. Experimental results on three large-scene high-resolution SAR images confirm the effectiveness and generalization of our method. Compared with the supervised methods, the features learned in JPSSL are highly discriminative, and the JPSSL achieves good classification accuracy when using only a small amount of labeled data. [ABSTRACT FROM AUTHOR]

Investigates deoxyribonucleic acid (DNA) binding modes of distamycin (DST) by means of assessing comparative studies with oligomeric duplexes. Details on the sequence recognition of DNA by proteins and small molecules; Importance of DNA; Results of the findings.

Counting repetitive actions is important in work and daily life. Automated counting using deep learning provides a more efficient, accurate alternative to manual counting, which is tedious and error-prone Deep-learning models have been proposed to automatically count repetitive actions in video content. However, for these models to be applied to realistic scenes, high-quality performance and generalization to multiple environments, particularly for long videos, are essential. To address these challenges, we propose a new model, ME-RAC, which includes the multipath 3D-Conv encoder module, and we also propose a temporal-sequence random-combination data augmentation to improve counting performance and prevent model over-fitting during training. Additionally, we propose the temporal-sequence-decision (TSD) framework system to realize long repetitive-action counting in complex realistic scenes. We conducted experiments to validate that our proposed methods perform better than comparable methods and our TSD framework achieved unique performance in long repetitive-action-counting tasks. • ME-RAC model can enhance the performance of repetitive action counting. • TSRC data augmentation method can mitigate overfitting issue during training. • TSD framework effectively implements action counting in long-time video. [ABSTRACT FROM AUTHOR]

The plug-in hybrid electric vehicle not only has the advantages of low emissions from electric vehicles, but also takes advantage of the high specific energy and high specific power of petroleum fuels, which can significantly improve the emissions and fuel economy of traditional vehicles. Studying its comprehensive energy consumption evaluation method is an important part of analyzing the economics of plug-in hybrid electric vehicles. This paper first puts forward the concept of statistical energy consumption and then proposes an innovative calculation method of plug-in hybrid electric vehicle energy consumption based on statistical energy consumption by referring to and analyzing the energy consumption test regulations of the United States, the European Union, and China. Given the two use case assumptions of charge depleting mode priority and charge sustaining mode only, considering the fuel consumption and the energy consumption that converts electrical energy consumption to fuel consumption, the probability density function of travel mileage distribution and energy consumption is derived. Finally, the interpretation and analysis of statistical energy consumption evaluation results are carried out. [ABSTRACT FROM AUTHOR]

Which life satisfaction components could be a target of positive psychological interventions for longevity is largely unknown. We aimed to investigate association of the composite measure of life satisfaction and its individual components with mortality. This cohort study included UK Biobank participants who responded to questions concerning five components of life satisfaction at baseline. We generated a composite score representing overall life satisfaction, ranging from 0 (lowest) to 5 (highest). The outcomes were all-cause and cause-specific mortality. We used multivariable Cox regression to estimate hazard ratios (HR) for the associations of interest. Among 165,842 eligible participants, 12,261 all-cause deaths were observed over a median of 12.9-year follow-up. Overall life satisfaction was inversely associated with all-cause mortality (adjusted HR 0.94 [95% CI: 0.93–0.95] per 1 score increment). Health satisfaction showed the strongest association with all-cause mortality, with a fully adjusted HR of 0.52 (95% CI: 0.49–0.55) for high/extreme satisfaction and 0.63 (95% CI: 0.59–0.66) for moderate satisfaction, compared with unsatisfaction (P-trend<0.001), independent of other satisfaction components, regardless of physical health and sociodemographics. The association for family, friendship, work and financial satisfaction was attenuated when adjusted for other life satisfaction components. Similar findings were observed for cause-specific mortality. Observational study with single baseline measurement of life satisfaction precludes the ability to establish causal relationship. Higher overall life satisfaction was associated with lower mortality. As the major contributor to lower mortality regardless of physical health and sociodemographics, health satisfaction could be an important target of positive psychological interventions for longevity. • People who felt satisfied with more aspects of life had lower risk of all-cause and cause-specific mortality. • Among the five satisfaction components, health satisfaction was the major contributor to lower risk of mortality. • The inverse association of health satisfaction with mortality did not vary with physical health and sociodemographic status. • Enhancing positive feelings towards health status could serve as a potential strategy for increasing longevity. [ABSTRACT FROM AUTHOR]

Precisely introducing topological defects is an important strategy in nanographene crystal engineering because defects can tune π‐electronic structures and control molecular assemblies. The synergistic control of the synthesis and assembly of nanographenes by embedding the topological defects to afford two‐dimensional (2D) crystals on surfaces is still a great challenge. By in‐situ embedding ladder bipyrazinylene (LBPy) into acene, the narrowest nanographene with zigzag edges, we have achieved the precise preparation of 2D nonbenzenoid heteroacene crystals on Au(111). Through intramolecular electrocyclization of o‐diisocyanides and Au adatom‐directed [2+2] cycloaddition, the nonbenzenoid heteroacene products are produced with high chemoselectivity, and lead to the molecular 2D assembly via LBPy‐derived interlocking hydrogen bonds. Using bond‐resolved scanning tunneling microscopy, we determined the atomic structures of the nonbenzenoid heteroacene product and diverse organometallic intermediates. The tunneling spectroscopy measurements revealed the electronic structure of the nonbenzenoid heteroacene, which is supported by density functional theory (DFT) calculations. The observed distinct organometallic intermediates during progression annealing combined with DFT calculations demonstrated that LBPy formation proceeds via electrocyclization of o‐diisocyanides, trapping of heteroarynes by Au adatoms, and stepwise elimination of Au adatoms. [ABSTRACT FROM AUTHOR]

Precisely introducing topological defects is an important strategy in nanographene crystal engineering because defects can tune π‐electronic structures and control molecular assemblies. The synergistic control of the synthesis and assembly of nanographenes by embedding the topological defects to afford two‐dimensional (2D) crystals on surfaces is still a great challenge. By in‐situ embedding ladder bipyrazinylene (LBPy) into acene, the narrowest nanographene with zigzag edges, we have achieved the precise preparation of 2D nonbenzenoid heteroacene crystals on Au(111). Through intramolecular electrocyclization of o‐diisocyanides and Au adatom‐directed [2+2] cycloaddition, the nonbenzenoid heteroacene products are produced with high chemoselectivity, and lead to the molecular 2D assembly via LBPy‐derived interlocking hydrogen bonds. Using bond‐resolved scanning tunneling microscopy, we determined the atomic structures of the nonbenzenoid heteroacene product and diverse organometallic intermediates. The tunneling spectroscopy measurements revealed the electronic structure of the nonbenzenoid heteroacene, which is supported by density functional theory (DFT) calculations. The observed distinct organometallic intermediates during progression annealing combined with DFT calculations demonstrated that LBPy formation proceeds via electrocyclization of o‐diisocyanides, trapping of heteroarynes by Au adatoms, and stepwise elimination of Au adatoms. [ABSTRACT FROM AUTHOR]

Objectives] This study was conducted to explore the occurrence levels of endocrine disruptors ( EDCs) in rural areas around a county landfill in Tongren City. [Methods] The water around the landfill was sampled and analyzed. A solid-phase extraction and high performance liquid chromatography-tandem mass spectrometry ( SPE-UPLC-MS/MS) method was established for the determination of 27 ED Cs. After the HLB solid-phase extraction column was activated, a water sample, which was adjusted with phosphoric acid to a pH of 2 ( ± 0. 5) and added with 500 mg of disodium EDTA, was loaded, and 5 ml of water and 20% methanol water was added for washing. Next, 10 ml of elution solution was added for elution, and the collected eluate was evaporated under reduced pressure at 40 oC to near dryness, and 10 ml of reconstitution solution was added to a constant volume. An ACQUITY UPLC BEH C18 (100 x2.1 mm, 2.6μm) chromatographic column was adopted for LC separation by gradient elution with pure water solution-acetonitrile as the mobile phase. For MS detection, the MRM mode was adopted for collection, and the positive and negative ion modes were switched for simultaneous determination, and the internal standard method was used for quantification. [Results] The correlation coefficient R2 was greater than 0. 99 in the linear range of each target substance. The limits of quantitation in the method were between 0.05 and 2.00 ng/L, and the recoveries ranged from 75.3% to 105. 7%. [Conclusions] The method has high sensitivity, good accuracy and strong practical value. [ABSTRACT FROM AUTHOR]

[Display omitted] • ZnO-ZrO 2 catalysts with ordered mesoporous structure were prepared by evaporation-induced self-assembly method. • The EISA catalysts exhibit better performance in CO 2 hydrogenation compared to that prepared by co-precipitation. • The better performance is mainly ascribed to the higher specific surface areas and more active sites. • The 20% ZnO-ZrO 2 (EISA, cleaned) achieves a methanol formation rate of 22.1 mmol·h-1·g cat -1 at 320°C, 5.5 MPa. CO 2 hydrogenation to methanol is becoming a potential route for reducing CO 2 emission, benefiting from the worldwide growth of renewable energy for H 2 production. In this work, the ZnO-ZrO 2 solid solution catalysts with ordered mesoporous structure were constructed by the evaporation-induced self-assembly (EISA) process using triblock copolymer P123 as the template. The 20% ZnO-ZrO 2 catalyst prepared by the evaporation-induced self-assembly process shows a methanol formation rate of 22.1 mmol·h-1·g cat -1 at 320°C, 5.5 MPa, which is 1.35 times that of the catalyst prepared by co-precipitation. Characterizations prove that the EISA catalysts have larger specific surface areas and more sites for the activation of CO 2 and H 2 , which are related to the higher CO 2 conversion. [ABSTRACT FROM AUTHOR]

The plug-in hybrid electric vehicle not only has the advantages of low emissions from electric vehicles, but also takes advantage of the high specific energy and high specific power of petroleum fuels, which can significantly improve the emissions and fuel economy of traditional vehicles. Studying its comprehensive energy consumption evaluation method is an important part of analyzing the economics of plug-in hybrid electric vehicles. This paper first puts forward the concept of statistical energy consumption and then proposes an innovative calculation method of plug-in hybrid electric vehicle energy consumption based on statistical energy consumption by referring to and analyzing the energy consumption test regulations of the United States, the European Union, and China. Given the two use case assumptions of charge depleting mode priority and charge sustaining mode only, considering the fuel consumption and the energy consumption that converts electrical energy consumption to fuel consumption, the probability density function of travel mileage distribution and energy consumption is derived. Finally, the interpretation and analysis of statistical energy consumption evaluation results are carried out. [ABSTRACT FROM AUTHOR]

Background: The decreasing suicide rate in China has been regarded as a major contributor to the decline of global suicide rate in the past decade. However, previous estimations on China's suicide rates might not be accurate, since often they were based on the data from the Ministry of Health's Vital Registration ("MOH-VR") System, which is biased towards the better-off population. This study aims to compare suicide data extracted from the MOH-VR System with a more representative mortality surveillance system, namely the Center for Disease Control and Prevention's Disease Surveillance Points ("CDC-DSP") System, and update China's national and subnational suicide rates in the period of 2004-2014.Methods: The CDC-DSP data are obtained from the National Cause-of-Death Surveillance Dataset (2004-2014) and the MOH-VR data are from the Chinese Health Statistics Yearbooks (2005-2012) and the China Health and Family Planning Statistics Yearbooks (2013-2015). First, a negative binomial regression model was used to test the associations between the source of data (CDC-DSP/MOH-VR) and suicide rates in 2004-2014. Joinpoint regression analyses and Kitagawa's decomposition method are then applied to analyze the trends of the crude suicide rates.Results: Both systems indicated China's suicide rates decreased over the study period. However, before the two systems merged in 2013, the CDC-DSP System reported significantly higher national suicide rates (IRR = 1.18, 95% Confidence Interval [CI]: 1.13-1.24) and rural suicide rates (IRR = 1.29, 95% CI: 1.21-1.38) than the MOH-VR System. The CDC-DSP System also showed significant reversing points in 2011 (95% CI: 2006-2012) and 2006 (95% CI: 2006-2008) on the rural and urban suicide trends. Moreover, the suicide rates in the east and central urban regions were reversed in 2011 and 2008.Conclusions: The biased MOH-VR System underestimated China's national and rural suicide rates. Although not widely appreciated in the field of suicide research, the CDC-DSP System provides more accurate estimations on China's suicide rates and is recommended for future studies to monitor the reversing trends of suicide rates in China's more developed areas. [ABSTRACT FROM AUTHOR]

A copper-catalyzed enantioselective alkynylation between terminal alkynes and pyrazole-4,5-diones has been developed. With 2.5 mol% CuI and 3 mol% chiral ligand L15, chiral propargylic alcohols bearing a pyrazolone motif were produced in 82–99% yield and up to 98% ee. Moreover, both enantiomers of the chiral propargylic alcohols were obtained with ligands L12 and L15, respectively. [ABSTRACT FROM AUTHOR]

Different reaction conditions allow the regio- and chemoselective reaction of styrenes with para-, meta, and ortho-aminophenols and carbon monoxide to give a wide variety of amides. [ABSTRACT FROM AUTHOR]

Optimized conditions A) allow the preparation of the pharmaceutically important scaffold with excellent enantio- and diastereoselectivity. [ABSTRACT FROM AUTHOR]

An enantioselective Cu(II)-catalyzed conjugate addition of dialkylzinc reagents to α,β- or α,β,γ,δ-unsaturated ketones with chiral cyclohexane-based amidophosphine ligands was developed. With 2 mol% of Cu(OAc) 2 ·H 2 O/ L5 , the conjugate addition of diethylzinc to α,β-unsaturated ketones was achieved in good-to-excellent yields (up to 98%) and high enantioselectivities (up to 92% ee). This catalytic system was shown to be efficient for the 1,4-conjugate addition of Et 2 Zn to (2 E ,4 E)-1,5-diphenylpenta-2,4-dien-1-one with 85% yield and 90% ee. Moreover, with 1 mol% of Cu(OTf) 2 / L11 , the conjugate addition of α,β,γ,δ-unsaturated ketones was accomplished with 1,4-regioselectivity, good yields (79–86%) and excellent enantioselectivities (up to 97% ee). Image 1 [ABSTRACT FROM AUTHOR]

Quantifying the uncertainty of inversion-derived fluxes and attributing the uncertainty to errors in either flux or transport continue to be challenges in the characterization of surface sources and sinks of carbon dioxide (CO2). It is also not clear if fluxes inferred in a coarse-resolution global system will remain optimal in a higher-resolution modeling environment. Here we present an off-line coupling of the mesoscale Weather Research and Forecasting (WRF) model to optimized biogenic CO2 fluxes and mole fractions from the global Carbon Monitoring System inversion system (CMS-Flux). The coupling framework consists of methods to constrain the mass of CO2 introduced into WRF, effectively nesting our North American domain within the global model. We test the coupling by simulating Greenhouse gases Observing SATellite (GOSAT) column-averaged dry-air mole fractions (XCO2) over North American for 2010. We find mean model-model differences in summer of ~0.12ppm. While 85% of the XCO2 values are due to long-range transport from outside our North American domain, most of the model-model differences appear to be due to transport differences in the fraction of the troposphere below 850hPa. The framework methods can be used to couple other global model inversion results to WRF for further study using different boundary layer and transport parameterizations. [ABSTRACT FROM AUTHOR]

Compounds (XII) show promising antitumor activities. [ABSTRACT FROM AUTHOR]

An organocatalytic chemo- and enantioselective vinylogous aldol/cyclization cascade reaction between β,γ-unsaturated amides and β,γ-unsaturated α-keto esters was developed. With 5 mol% of chiral tertiary amine-thiourea catalyst C3 , highly functionalized 5,6-dihydropyran-2-ones with a quaternary stereocenter were constructed in a straightforward manner with high yields (up to 99%) and excellent enantioselectivities (up to 98% ee). [ABSTRACT FROM AUTHOR]

Phosphine-catalyzed enantioselective γ -additions of rhodanines to allenoates have been developed for the first time. With the employment of chiral cyclohexane-based phosphines, a wide range of substituted rhodanine derivatives containing tertiary chiral centers were constructed in good yields and high enantioselectivities. [ABSTRACT FROM AUTHOR]

Previous investigations of geographic concentration of urban poverty indicate the contribution of a variety of factors, such as economic restructuring and class-based segregation, racial segregation, demographic structure, and public policy. However, the models used by most past research do not consider the possibility that poverty concentration may take different forms in different locations across a city, and most studies have been conducted in Western settings. We investigated the spatial patterning of neighborhood poverty and its correlates in Hong Kong, which is amongst cities with the highest GDP in the region, using the city-wide ordinary least square (OLS) regression model and the local-specific geographically weighted regression (GWR) model. We found substantial geographic variations in small-area poverty rates and identified several poverty clusters in the territory. Factors found to contribute to urban poverty in Western cities, such as socioeconomic factors, ethnicity, and public housing, were also mostly associated with local poverty rates in Hong Kong. Our results also suggest some heterogeneity in the associations of poverty with specific correlates (e.g. access to hospitals) that would be masked in the city-wide OLS model. Policy aimed to alleviate poverty should consider both city-wide and local-specific factors. [ABSTRACT FROM AUTHOR]

A simple and novel SO2 release method for the synthesis of controllable nanostructured BaSO4 and BaSO3 crystals was developed based on the oxidation of HSO3− to SO42− by dimethyl sulfoxide (DMSO) in a binary system of triethylene glycol (TEG) + DMSO. The binary system was successfully re-used for SO2 absorption and production of BaSO3 crystals at least three times. Aggregation and self-assembly mechanisms for the preparation of BaSO4 and BaSO3 crystals were proposed. This controllable synthesis strategy for BaSO4 and BaSO3 crystals has offered an alternative way for the comprehensive utilization of SO2, and provided a scientific foundation for the development of DMSO oxidation chemistry. [ABSTRACT FROM AUTHOR]