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Automated classification of breast cancer subtypes from digital pathology images has been an extremely challenging task due to the complicated spatial patterns of cells in the tissue micro-environment. While newly proposed graph transformers are able to capture more long-range dependencies to enhance accuracy, they largely ignore the topological connectivity between graph nodes, which is nevertheless critical to extract more representative features to address this difficult task. In this paper, we propose a novel connectivity-aware graph transformer (CGT) for phenotyping the topology connectivity of the tissue graph constructed from digital pathology images for breast cancer classification. Our CGT seamlessly integrates connectivity embedding to node feature at every graph transformer layer by using local connectivity aggregation, in order to yield more comprehensive graph representations to distinguish different breast cancer subtypes. In light of the realistic intercellular communication mode, we then encode the spatial distance between two arbitrary nodes as connectivity bias in self-attention calculation, thereby allowing the CGT to distinctively harness the connectivity embedding based on the distance of two nodes. We extensively evaluate the proposed CGT on a large cohort of breast carcinoma digital pathology images stained by Haematoxylin & Eosin. Experimental results demonstrate the effectiveness of our CGT, which outperforms state-of-the-art methods by a large margin. Codes are released on https://github.com/wang-kang-6/CGT.

A mild and effective strategy for the asymmetric synthesis of C2-quaternary indolin-3-ones from 2-alkynyl arylazides and ketones by gold/chiral amine relay catalysis is described. In this reaction, 2-alkynyl arylazides undergo gold-catalyzed cyclization, nucleophilic attack, and oxidation to form intermediate 2-phenyl-3H-indol-3-ones, followed by an l-proline-catalyzed asymmetric Mannich reaction with ketones, to afford corresponding products in satisfactory yields with excellent enantio- and diastereoselectivities.

A Cholesky decomposition (CD)-based implementation of relativistic two-component coupled-cluster (CC) and equation-of-motion CC (EOM-CC) methods using an exact two-component Hamiltonian augmented with atomic-mean-field spin–orbit integrals (the X2CAMF scheme) is reported. The present CD-based implementation of X2CAMF-CC and EOM-CC methods employs atomic-orbital-based algorithms to avoid the construction of two-electron integrals and intermediates involving three and four virtual indices. Our CD-based implementation extends the applicability of X2CAMF-CC and EOM-CC methods to medium-sized molecules with the possibility to correlate around 1000 spinors. Benchmark calculations for uranium-containing small molecules were performed to assess the dependence of the CC results on the Cholesky threshold. A Cholesky threshold of 10–4is shown to be sufficient to maintain chemical accuracy. Example calculations to illustrate the capability of the CD-based relativistic CC methods are reported for the bond-dissociation energy of the uranium hexafluoride molecule, UF6, with up to quadruple-ζ basis sets, and the lowest excitation energy in the solvated uranyl ion [UO22+(H2O)12].

Combinatorial optimization (CO) on graphs is a classic topic that has been extensively studied across many scientific and industrial fields. Recently, solving CO problems on graphs through learning methods has attracted great attention. Advanced deep learning methods, e.g., graph neural networks (GNNs), have been used to effectively assist the process of solving COs. However, current frameworks based on GNNs are mainly designed for certain CO problems, thereby failing to consider their transferable and generalizable abilities among different COs on graphs. Moreover, simply using original graphs to model COs only captures the direct correlations among objects, which does not consider the mathematical logicality and properties of COs. In this paper, we propose a unified pre-training and adaptation framework for COs on graphs with the help of the maximum satisfiability (Max-SAT) problem. We first use Max-SAT to bridge different COs on graphs since they can be converted to Max-SAT problems represented by standard formulas and clauses with logical information. Then we further design a pre-training and domain adaptation framework to extract the transferable and generalizable features so that different COs can benefit from them. In the pre-training stage, Max-SAT instances are generated to initialize the parameters of the model. In the fine-tuning stage, instances from CO and Max-SAT problems are used for adaptation so that the transferable ability can be further improved. Numerical experiments on several datasets show that features extracted by our framework exhibit superior transferability and Max-SAT can boost the ability to solve COs on graphs.

Stereo Lithography Apparatus (SLA) has demonstrated improvements on surface-roughness and dimensional-accuracy of the precision casting prototypes in recent years, which however is still far from being satisfactory in industrial. One primary problem is the easy crack of the ceramic shell at sintering process originated from the high thermal expansion coefficient of the photosensitive resin. Herein, this paper aims to find a solution for the cracking problem of the SLA-prototyped ceramic shells. This paper introduces recent studies mainly focusing on the aspect of photosensitive resin modification, the hollow structure improvement inside the photosensitive resin prototype, the wax sheet pasting method on the weak part of ceramic shells, and the sintering process design of the photosensitive resin in ceramic shells. The performance of ceramic shells through these studies are evaluated, and a fundamental solution to the cracking problem of ceramic shells is thereafter prospected.

A strategy for the synthesis of dibenz[a,j]anthracenes (DBAs) from cyclohexa-2,5-diene-1-carboxylic acids is presented. Our approach involves sequential C–H olefination, cycloaddition, and decarboxylative aromatization. In the key step for DBA skeleton construction, the bis-C–H olefination products, 1,3-dienes, are utilized as substrates for [4 + 2] cycloaddition with benzyne. This concise synthetic route allows for regioselective ring formation and functional group introduction. The structural features and photophysical properties of the resulting DBA molecules are discussed.

A study of the intensity-borrowing mechanisms important to optical cycling transitions in laser-coolable polyatomic molecules arising from non-adiabatic coupling, contributions beyond the Franck–Condon approximation, and Fermi resonances is reported. It has been shown to be necessary to include non-adiabatic coupling to obtain computational accuracy that is sufficient to be useful for laser cooling of molecules. The predicted vibronic branching ratios using perturbation theory based on the non-adiabatic mechanisms have been demonstrated to agree well with those obtained from variational discrete variable representation calculations for representative molecules including CaOH, SrOH, and YbOH. The electron-correlation and basis-set effects on the calculated transition properties, including the vibronic coupling constants, the spin–orbit coupling matrix elements, and the transition dipole moments, and on the calculated branching ratios have been thoroughly studied. The vibronic branching ratios predicted using the present methodologies demonstrate that RaOH is a promising radioactive molecule candidate for laser cooling.

An asymmetric double oxidative [3 + 2] cycloaddition is reported. Oxidation of 3-((2,2,2-trifluoroethyl)amino)indolin-2-ones and β-aryl-substituted aldehydes simultaneously and subsequent asymmetric cycloaddition in the presence of the chiral amino catalyst generated highly functionalized chiral CF3-containing spiro[pyrrolidin-3,2′-oxindole] with four contiguous stereocenters stereoselectively, which is characterized by directly constructing two C–C bonds from four C(sp3)–H bonds. This new method features mild conditions, broad substrate scope, and excellent functional group compatibility.

Fluorene-9-bisphenol (BHPF), a bisphenol A (BPA) substitute, has been increasingly used as a material in syntheses of polymers that are widely used in road markings, artificial tracks, coating floors, building paints, etc., increasing the likelihood of BHPF contamination in the aquatic environment due to its release from the products. However, to date, it is unknown whether it may have actual impacts on fish in real environments. In this study, a 105-day exposure experiment of BHPF at various concentrations (0.01, 0.1, 1, and 10 μg/L) on Chinese medaka (Oryzias sinensis) was performed under laboratory conditions and found decreased fecundity, such as lower egg qualities and quantities, retarded oogenesis, and atretic follicles in the fish and deformed eyes and bodies in its F1 generation. Toxico-transcriptome analyses showed that estrogen-responsive genes were significantly suppressed by BHPF, indicating that antagonist properties of BHPF on estrogen receptors might be causes for the decreased fecundity. Field investigations (Beijing) demonstrated that BHPF was detectable in 60% surface waters, with a mean concentration of 10.49 ± 6.33 ng/L, by gas chromatography–mass spectrometry, and similar effects in wild Chinese medaka were also observed, some of which the parameters were found to be obviously correlated with the BHPF levels in corresponding waters.

Parallel inverters are widely used in the microgrid systems to meet the demand for increased power capacity and enhanced reliability. However, unbalanced connections between the parallel inverters may cause a spike in the zero-sequence circulating current (ZSCC), leading to performance degradation. To address this issue, a virtual voltage vector-based sequential model-free predictive control (SMFPC) method is proposed in this article for parallel converters. Specifically, extended state observer (ESO) and virtual voltage vectors are introduced into the finite control-set model predictive control (FCS-MPC) architecture to cope with the multiobjective, including ZSCC inhibition and robustness performance improvement. Next, to prevent the adjusting of weighting factors, an SMFPC solution is constructed. The main feature of the proposed control methodology is that the reliability and robustness of the controlled system can be significantly enhanced without knowing the accurate mathematical models and parameters. Finally, the effectiveness of the suggested approach is verified by performance evaluation.

Small RNA (sRNA)-mediated RNA silencing (also known as RNA interference, or RNAi) is a conserved mechanism in eukaryotes that includes RNA degradation, DNA methylation, heterochromatin formation and protein translation repression. In plants, sRNAs can move either cell-to-cell or systemically, thereby acting as mobile silencing signals to trigger noncell autonomous silencing. However, whether and what proteins are also involved in noncell autonomous silencing have not been elucidated. In this study, we utilized a previously reported inducible RNAi plant, PDSi, which can induce systemic silencing of the endogenous PDSgene, and we demonstrated that DCL3 is involved in systemic PDSsilencing through its RNA binding activity. We confirmed that the C-terminus of DCL3, including the predicted RNA-binding domain, is capable of binding short RNAs. Mutations affecting RNA binding, but not processing activity, reduced systemic PDSsilencing, indicating that DCL3 binding to RNAs is required for the induction of systemic silencing. Cucumber mosaic virus infection assays showed that the RNA-binding activity of DCL3 is required for antiviral RNAi in systemically noninoculated leaves. Our findings demonstrate that DCL3 acts as a signaling agent involved in noncell autonomous silencing and an antiviral effect in addition to its previously known function in the generation of 24-nucleotide sRNAs.

Unbalanced data with very few samples for special abnormal conditions frequently occur in actual production processes, which can make accurate monitoring of the process state challenging. This article proposes a multimodal few-shot learning method (MMFSL) within a fault diagnosis framework for unbalanced data modeling of industrial bearings. MMFSL can handle two modes of data and therefore contains two data generation channels. The first channel deals with time-series data and the second deals with images. The two modes of generated data are then evaluated using the MMFSL evaluation modules, image evaluation index (IEI), and time-series evaluation index (TEI), to guarantee the quality of the generated data. In addition, the time-series data are analyzed in the time-frequency domain to ensure the consistency of the frequency distribution. Original unbalanced and insufficient data samples are expanded so that the fault diagnosis model can be trained adequately. Through experiments using data from Case Western Reserve University (CWRU) and Pardborn University (PU), generated data by using the MMFSL model can increase fault detection accuracy from 80.9% to 97.5%. At the same time, false alarm rate can be reduced significantly from 4.6% to 0.1%. Moreover, fault classification model accuracy can reach 98.1% compared to 95.4% for the original time-series dataset, and 99.3% compared with 96.5% for the image data extension. Various visualizations of comparison results are also provided to show the reliability of the MMFSL framework.

Benchmark spinor-based relativistic coupled-cluster calculations for the ionization energies of the uranium atom, the uranium monoxide molecule (UO), and the uranium dioxide molecule (UO2) and for the bond dissociation energies of UO and UO2are reported. The accuracy of these calculations in the treatments of relativistic, electron-correlation, and basis-set effects is analyzed. The intrinsic convergence of the computed results and the favorable comparison with the experimental values demonstrate the unique applicability of the spinor representation of quantum-chemical methods to open-shell uranium-containing atomic and molecular species with uranium oxidation states ranging from U(0) to U(V).

Early detection of ovarian cancer is challenging, leading to high mortality rates. Paclitaxel has broad-spectrum anti-tumor activity and has been used clinically for the treatment of various cancers. However, the severe side effects of paclitaxel limit its use at high doses. Hence, it is imperative to develop a novel anti-neoplastic agent that can enhance therapeutic efficacy and selectively target tumor sites, thereby mitigating systemic toxicity. In this study, lipid nanoparticles with surface-modified octreotide were constructed by a thin film dispersion method to co-encapsulate paclitaxel and neferine, which are lipophilic compounds, within the phospholipid bilayer, improving their solubility. Liposomes modified with octreotide can increase its active targeting to SKOV3 cells through SSTR-mediated endocytosis and prolong the drug circulation time in vivo. The potential synergistic effects of paclitaxel and neferine were confirmed and quantified by Synergyfinder analysis software. In vitro experimental results showed that neferine can synergistically enhance the cytotoxicity of paclitaxel against human ovarian cancer cells, exerting anti-proliferative, apoptosis-inducing, invasion-suppressing, and angiogenesis-disrupting effects. The in vivo targeting and tumor inhibition of Octreotide-modified liposomes that co-deliver paclitaxel and neferine (OCT-PTX/Nef-Lips) were investigated in mice xenografted with SKOV3 cells. In vivo pharmacodynamic evaluation demonstrated the safe and effective ability of OCT-PTX/Nef-Lips to inhibit tumor volume growth, disrupt tumor tissue morphology, induce apoptosis in tumor cells, and suppress their proliferation. Furthermore, angiogenesis was inhibited through down-regulation of angiogenesis-related proteins (TIE-2, VEGFA, VE-Cadherin, Ang-2).

Satellites based positioning has been widely applied to many areas in our daily lives and thus become indispensable, which also leads to increasing demand for high‐positioning accuracy. In some complex environments (such as dense urban, valley), multipath interference is one of the main error sources deteriorating positioning accuracy, and it is difficult to eliminate via differential techniques due to its uncertainty of occurrence and irrelevance in different instants. To address this problem, we propose a positioning method for global navigation satellite systems (GNSS) by adopting a modified teaching‐learning based optimization (TLBO) algorithm after the positioning problem is formulated as an optimization problem. Experiments are conducted by using actual satellite data. The results show that the proposed positioning algorithm outperforms other algorithms, such as particle swarm optimization based positioning algorithm, differential evolution based positioning algorithm, variable projection method, and TLBO algorithm, in terms of accuracy and stability.

Limited treatments are available for alleviating heart remodeling in postmenopausal hypertension. The cardioprotective effect of naoxintong (NXT) has been widely accepted. This study aimed to explore the effects of NXT on pathological heart remodeling in a postmenopausal hypertension mouse model in vivo and H9c2 cardiomyocytes in vitro. In vivo, ovariectomy combined with chronic angiotensin II infusion was used to establish the postmenopausal hypertension animal model. NXT significantly ameliorated cardiac remodeling as indicated by a reduced ratio of heart weight/body weight and left ventricle weight/body weight, left ventricular wall thickness, diameter of cardiomyocytes, and collagen deposition in the heart. NXT also significantly increased the expression of estrogen receptors (ERs) and downregulated the expression of nicotinamide adenine dinucleotide phosphate oxidase 2 (Nox2). In vitro, NXT treatment greatly suppressed angiotensin II–induced cardiac hypertrophy, cardiac fibrosis, and excessive oxidative stress as proven by reducing the diameter of H9c2 cardiomyocytes, expression of hypertrophy and fibrosis markers, intracellular reactive oxygen species, and oxidative enzymes. Mechanistically, NXT significantly upregulated the expression of ERs, which activated the Nrf2/HO-1 signaling pathway and inhibited the phosphorylation of the p38α pathway. Collectively, the results indicated that NXT administration might attenuate cardiac remodeling through upregulating the expression of ERs, which activated the Nrf2/HO-1 signaling pathway, inhibited the phosphorylation of the p38α signaling pathway, and reduced oxidative stress.

A family of nanoclusters, [Ln33(EDTA)12(OAc)2(CO3)4(μ3-OH)36(μ5-OH)4(H2O)38]·OAc·xH2O (x≈ 50, Ln = Sm for 1; x≈ 70, Ln = Eu for 2) and [Gd32(EDTA)12(OAc)2(C2O4)(CO3)2(μ3-OH)36(μ5-OH)4(H2O)36]·x(H2O) (x≈ 70 for 3; H4EDTA = ethylene diamine tetraacetic acid), was prepared through the assembly of repeating subunits under the action of an anion template. The analysis of the structures showed that compounds 1and 2containing 33 Ln3+ions were isostructural, which were constructed by three kinds of subunits in the presence of CO32–as an anion template, while compound 3had a slightly different structure. Compound 3containing 32 Gd3+ions was formed by three types of subunits in the presence of CO32–and C2O42–as a mixed anion template. The CO32–anions came from the slow fixation of CO2in the air. Meanwhile, one kind of high-nuclearity lanthanide clusters showed high chemical stability. The quantum Monte Carlo (QMC) calculation suggested that weak antiferromagnetic interactions were dominant between Gd3+ions in 3. Magnetocaloric studies showed that compound 3had a large entropy change of 43.0 J kg–1K–1at 2 K and 7 T. Surprisingly, compound 2showed excellent recognition and detection effects for permanganate in aqueous solvents based on the fluorescence quenching phenomenon.

An efficient implementation of the quadratic unitary coupled-cluster singles and doubles (qUCCSD) scheme for calculations of electronic ground and excited states using an unrestricted molecular spin–orbital formulation and an efficient tensor contraction library is reported. The accuracy of the qUCCSD scheme and the efficiency of the present implementation are demonstrated using extensive benchmark calculations of excitation energies and an application to S0→ S1vertical excitation energies for cis- and trans-4a,4b-dihydrotriphenylene. The qUCCSD scheme has been shown to provide improved excitation energies compared with the UCC3 scheme formulated based on perturbation theory. A UCC truncation scheme that can provide excitation energies correct through the fourth order is also presented to further improve the accuracy of the qUCCSD scheme.

Quantitative myocardial tissue characterization with T1and T2parametric mapping can provide an accurate and complete assessment of tissue abnormalities across a broad range of cardiomyopathies. However, current clinical T1and T2mapping tools rely predominantly on two-dimensional (2D) breath-hold sequences. Clinical adoption of three-dimensional (3D) techniques is limited by long scan duration. The aim of this study is to develop and validate a time-efficient 3D free-breathing simultaneous T1and T2mapping sequence using multi-parametric SAturation-recovery and Variable-flip-Angle (mSAVA).

By adopting the sliding mode control (SMC) and the generalized Lyapunov method, the boundary feedback stabilization issue is studied for the fractional diffusion system subject to boundary control matched disturbance. The classical sliding surface and the fractional integral sliding function are constructed and sliding mode controllers are designed respectively to realize the Mittag-Leffler (M-L) stabilization of the considered system. The controller based on the newly-introduced fractional integral sliding function not only helps to relax the constraints on the disturbance but also realizes the same stabilization effect as that of the classical one. The well-posedness result of the solution is also obtained for discontinuous fractional heat equations. Besides, a numerical experiment validates the theoretical outcomes. • The well-posedness of fractional PDEs with discontinuous boundary is proved. • The constraint on the coefficient is relaxed. • The classical sliding surface and a fractional integral sliding function are given. • The range for the external disturbance is broadened. [ABSTRACT FROM AUTHOR]

Code review is a powerful technique to ensure high quality software and spread knowledge of best coding practices between engineers. Unfortunately, code reviewers may have biases about authors of the code they are reviewing, which can lead to inequitable experiences and outcomes. In principle, anonymous author code review can reduce the impact of such biases by withholding an author's identity from a reviewer. In this paper, to understand the engineering effects of using author anonymous code review in a practical setting, we applied the technique to 5217 code reviews performed by 300 software engineers at Google. Our results suggest that during anonymous author code review, reviewers can frequently guess authors’ identities; that focus is reduced on reviewer-author power dynamics; and that the practice poses a barrier to offline, high-bandwidth conversations. Based on our findings, we recommend that those who choose to implement anonymous author code review should reveal the time zone of the author by default, have a break-the-glass option for revealing author identity, and reveal author identity directly after the review.

Two series of cluster-based Ln-metal–organic frameworks (MOFs) with formulas {[Na@Ln8(EDTA)6(H2O)22]·ClO4·xH2O}n(x≈ 28, Ln = Gd for 1, Ln = Eu for 2) and {[Na@Ln9(EDTA)6(H2O)27]·(ClO4)4·xH2O}n(x≈ 26, Ln = Gd for 3, Ln = Eu for 4) were prepared by ethylene diamine tetraacetic acid (H4EDTA) to control the hydrolysis of lanthanide ions to form cluster-based secondary building blocks and hydrated metal ions as linkers. Structural analysis showed that all four compounds were formed by using {Na@Ln6} as the node and hydrated [Ln(H2O)5]3+ion as the linker. Compounds 1–2and 3–4featured a two-dimensional (2D) layered structure and a three-dimensional (3D) frame structure, respectively. Magnetic studies showed that compounds 1and 3displayed a considerable magnetocaloric effect with magnetic entropy values of 32.8 and 33.3 J kg–1K–1, respectively, at low temperature and high field. The magnetic entropy changes of 3did not increase greatly with the increase of the dimension due to the similar weak magnetic interactions and similar magnetic densities of compounds 1and 3. Luminescence studies showed that compounds 2and 4had a good recognition effect on the cyclohexane molecule, and 4displayed excellent sensitive sensing and a detection effect on Fe3+ions in methanol based on the high-sensitivity fluorescence quenching phenomenon.

Progression of chronic aortic regurgitation (CAR) is insidious, and management is challenging. The primary aim of this study was to evaluate left ventricular (LV) remodeling and its progression in asymptomatic patients with CAR and preserved LV ejection fraction by three-dimensional speckle-tracking echocardiography (STE). The secondary aim was to identify the effect of management strategies on LV remodeling in severe CAR.

A combined anion photoelectron spectroscopic and relativistic coupled-cluster computational study of the electronic structure of the UN2molecule is presented. Because the photoelectron spectrum of the uranium dinitride negative ion, UN2–, directly reflects the electronic structure of neutral UN2, we have measured and relied upon the photoelectron spectrum of the UN2–anion as a means of mapping the electronic structure of neutral UN2. In addition to the electron affinity of the UN2ground state, energy levels of the UN2excited states were well characterized by the close interplay between the experiment and high-level theory. We found that both electron attachment and electronic excitation significantly bend the UN2molecule and elongate its U≡N bond. Implications for the activation of UN2are discussed.

A joint experimental-computational study of the molecular structure and vibrational spectra of the XeF6molecule is reported. The vibrational frequencies, intensities, and in particular the isotopic frequency shifts of the vibrational spectra for 129XeF6and 136XeF6isotopologues recorded in the neon matrix agree very well with those obtained from relativistic coupled-cluster calculations for XeF6in the C3vstructure, thereby strongly supporting the observation of the C3vconformer of the XeF6molecule in the neon matrix. A C3vtransition state connecting the C3vand Ohlocal minima is located computationally. The calculated barrier of 220 cm–1between the C3vminima and the transition state corroborates the experimental observation of the C3vconformer and the absence of the Ohconformer in solid noble gas matrices. For comparison matrix-isolation spectra have also been recorded and analyzed for the 129XeOF4and the 136XeOF4isotopologues. The matrix-isolation complexation shifts obtained for the XeF6·NCCH3relative to those of free matrix isolated XeF6and CH3CN are in good agreement with those reported for crystalline XeF6·NCCH3.

Relativistic exact two-component coupled-cluster calculations of molecular sensitivity factors for nuclear Schiff moments (NSMs) are reported. We focus on molecules containing heavy nuclei, especially octupole-deformed nuclei. Analytic relativistic coupled-cluster gradient techniques are used and serve as useful tools for identifying candidate molecules that sensitively probe for physics beyond the Standard Model in the hadronic sector. Notably, these tools enable straightforward “black-box” calculations. Two competing chemical mechanisms that contribute to the NSM are analyzed, illuminating the physics of ligand effects on NSM sensitivity factors.

With the rapid development of urban power grids and the large-scale integration of renewable energy, traditional power grid fault diagnosis techniques struggle to address the complexities of diagnosing faults in intricate power grid systems. Although artificial intelligence technologies offer new solutions for power grid fault diagnosis, the difficulty in acquiring labeled grid data limits the development of AI technologies in this area. In response to these challenges, this study proposes a semi-supervised learning framework with self-supervised and adaptive threshold (SAT-SSL) for fault detection and classification in power grids. Compared to other methods, our method reduces the dependence on labeling data while maintaining high recognition accuracy. First, we utilize frequency domain analysis on power grid data to filter abnormal events, then classify and label these events based on visual features, to creating a power grid dataset. Subsequently, we employ the Yule–Walker algorithm extract features from the power grid data. Then we construct a semi-supervised learning framework, incorporating self-supervised loss and dynamic threshold to enhance information extraction capabilities and adaptability across different scenarios of the model. Finally, the power grid dataset along with two benchmark datasets are used to validate the model’s functionality. The results indicate that our model achieves a low error rate across various scenarios and different amounts of labels. In power grid dataset, When retaining just 5% of the labels, the error rate is only 6.15%, which proves that this method can achieve accurate grid fault detection and classification with a limited amount of labeled data.

A thorough study of the performance of delta-coupled-cluster (ΔCC) methods for calculations of core-ionization energies for elements of the first long row of the periodic table is reported. Inspired by the core–valence separation (CVS) scheme in response theories, a simple CVS scheme of excluding the vacant core orbital from the CC treatment has been adopted to solve the convergence problem of the CC equations for core-ionized states. Dynamic correlation effects have been shown to make important contributions to the computed core-ionization energies, especially to chemical shifts of these quantities. The maximum absolute error (MaxAE) and standard deviation (SD) of delta-Hartree–Fock results for chemical shifts of core-ionization energies with respect to the corresponding experimental values amount to more than 1.7 and 0.6 eV, respectively. In contrast, the inclusion of electron correlation in ΔCC singles and doubles augmented with a noniterative triples correction [ΔCCSD(T)] method significantly reduces the corresponding deviations to around 0.3 and 0.1 eV. With the consideration of basis set effects and the corrections to the CVS approximation, ΔCCSD(T) has been shown to provide highly accurate results for absolute values of core-ionization energies, with a MaxAE of 0.22 eV and SD of 0.13 eV. To further demonstrate the usefulness of ΔCCSD(T), calculations of carbon K-edge ionization energies of ethyl trifluoroacetate, a molecule of significant interest to the study of X-ray spectroscopy and dynamics, are reported.

The synergetic combination of anion photoelectron spectroscopy and high-level relativistic coupled-cluster calculations was employed to study the anion, HThO–. The atomic connectivity of this anion was found to be HThO–and not ThOH–. Vibrational and electronic energy spacings in the HThO–photoelectron spectrum were measured and calculated, with good agreement between them being found. Computations yielded electronic energies and equilibrium structures as well as enabling orbital analyses. The adiabatic electron affinity (EAa) of HThO was determined to be 1.297 ± 0.035 eV.

An electron donor–acceptor complex-initiated α-cyanation of tertiary amines has been described. The reaction protocol provides a novel method to synthesize various α-amino nitriles under mild conditions. The reaction can proceed smoothly without the presence of photocatalysts and transition metal catalysts, and either oxidants are unnecessary or O2is the only oxidant. The practicality of this method is showcased not only by the late-stage functionalization of natural alkaloid derivatives and pharmaceutical intermediate, but also by the applicability of a stop–flow microtubing reactor.

Wound healing generally has four stages: hemostasis, inflammation, proliferation, and remolding. Most wound dressings only just take one or two phases into account. Herein, to develop a novel wound dressing that works at different stages, the blended alginate sodium/carboxymethyl chitosan membranes with a hydrogel-like structure are fabricated through a freeze-drying process together with a dual-ion (Sr2+and Zn2+) cross-linking approach. The fabricated membranes show excellent properties in the swelling ratio, water vapor transmission rate, tensile strength, sustained release, cell adhesiveness, and biocompatibility, proving its general performance for application in wound healing. In particular, the membranes with optimal ion concentrations of 45 mM Sr2+and 0.74 mM Zn2+presented the antibacterial activity and accelerating function of wound healing. More specifically, the formation of epithelium and blood vessels is evidently advanced compared with a commercial dressing in vivo experiment, and the expression of main growth factors such as epidermal growth factor, basic fibroblast growth factor, vascular endothelial growth factor, and transforming growth factor is upregulated which also have good effects on the remolding of skin. The prepared wound dressings in this study have good effects on each stage of wound healing, which is important for the healing of chronic wounds. It provides more choices for wound healing, especially for chronic wound healing.

Capturing developers' behavior at scale can be challenging. In this article, we describe our experience creating a system that integrates log data from dozens of development tools at Google.

Benchmark scalar-relativistic delta-coupled-cluster calculations of hetero-site double core ionization energies of small molecules containing second-row elements are reported. The present study has focused on the high-spin triplet components of two-site double core-ionized states, which are single reference in character and consistent with the use of standard coupled-cluster methods. Contributions to computed double core ionization energies from electron-correlation and basis-set effects as well as corrections to the core–valence separation approximation have been analyzed. On the basis of systematic convergence of computational results with respect to these effects, delta-coupled-cluster calculations have been shown to be capable of providing accurate double core ionization energies with remaining errors estimated to be below 0.3 eV, and thus they are recommended for use to facilitate experimental studies of two-site double core-ionized states that are involved in X-ray pump/X-ray probe studies of electronic and molecular dynamics following inner shell ionization or excitation.

Medium resolution (Δν̃ ∼ 3 GHz) laser-induced fluorescence (LIF) excitation spectra of a rotationally cold sample of YbOH in the 17300–17950 cm–1range have been recorded using two-dimensional (excitation and dispersed fluorescence) spectroscopy. High resolution (Δλ ∼ 0.65 nm) dispersed laser-induced fluorescence (DLIF) spectra and radiative decay curves of numerous bands detected in the medium resolution LIF excitation spectra were recorded. The vibronic energy levels of the X̃2Σ+state were predicted using a discrete variable representation approach and compared with observations. The radiative decay curves were analyzed to produce fluorescence lifetimes. DLIF spectra resulting from high resolution (Δν̃ < 10 MHz) LIF excitation of individual low-rotational lines in the  Ã2Π1/2(0,0,0)–X̃2Σ+(0,0,0), Ã2Π1/2(1,0,0)–X̃2Σ+(0,0,0), and [17.73]Ω = 0.5(0,0,0)–X̃2Σ+(0,0,0) bands were also recorded. The DLIF spectra were analyzed to determine branching ratios which were combined with radiative lifetimes to obtain transition dipole moments. The implications for laser cooling and trapping of YbOH are discussed.

Abstract

•What is already known on this subject? Eosinophilic ascites deriving from dosinophilic gastroenteritis is an infrequent cause of abdominal ascites. To our knowledge, most instances of eosinophilic ascites are reported in adults by either physicians or gastroenterologists.•What are the new findings? We report a small series of children who presented with eosinophilic ascites from a surgeon’s perspective. The diagnostic notes for eosinophilic ascites in children include strong histories of allergic diseases, peripheral blood eosinophilia, and/or family histories of EG.•How might it impact on clinical practice in the foreseeable future? Surgeons should be aware of EG as a rare cause of ascites, even in a pediatric population. It is important to avoid unnecessary surgical intervention, because dietary control and methylprednisolone treatment are effective remedies.

Benchmark scalar-relativistic core–valence-separated (CVS) equation-of-motion coupled-cluster ionization potential (EOMIP-CC) calculations of 21 K-edge ionization energies of C, O, N, and F in 14 molecules are reported. The CVS-EOMIP-CC methods are shown to be numerically more stable and more accurate than the parent EOMIP-CC methods, even when the calculations using the latter can be tightly converged. The superior performance of the CVS scheme is attributed to the exclusion of spurious couplings between core-ionized states and valence continuum states. Systematic improvement of computed K-edge ionization energies within the CVS-EOMIP-CC hierarchy, including the CC singles and doubles (CCSD) method, the CC singles, doubles, and triples (CCSDT) method, and the CC singles, doubles, triples, and quadruples (CCSDTQ) method, is demonstrated, with CCSDTQ yielding essentially quantitative results. Maximum absolute deviations between computed and experimental results amount to 2.54 eV for CCSD/cc-pCVQZ, 0.54 eV for CCSDT/cc-pCVQZ, and 0.23 eV for CCSDT/cc-pCVQZ augmented with quadruples contributions using the cc-pVTZ basis sets. The corresponding standard deviations are 1.91 eV for CCSD/cc-pCVQZ, 0.18 eV for CCSDT/cc-pCVQZ, and 0.10 eV for CCSDT/cc-pCVQZ augmented with quadruples contributions using the cc-pVTZ basis sets. Finally, CVS-EOMIP-CCSDT/cc-pCVTZ calculations of core ionization energies in CH3CN and CH3NC are reported, and experimental reinvestigation of carbon 1s ionization energies in CH3CN is suggested.

The potential use of air-gap membrane distillation (AGMD) process for the removal of copper sulfate (CuSO4) from aqueous solution was examined. A series of experiments were conducted to investigate the effects of both operation parameters and module parameters, including hot feed temperature(T3), coolant temperature (T1), feed flow rate (F), feed salt concentration (cf), vacuum pressure (P), the rate of hollow fiber membranes and heat-exchange hollow fibers (Nm/Nd) and the length of the modules (L) on permeate water flux (J), gained output ratio (GOR), water productivity (PV), and salt rejection rate (R) in AGMD process. It was found that the performance of AGMD process could be enhanced, but permeate water quality was deteriorated by adding vacuum pressure. Moreover, Jdeclined, but PVand GOR increased as Lincreased. With the increment of Nm/Nd, Jdecreased when operation parameters keep constant, PVand GOR showed different variation trends with different T1values due to the insufficient cold energy. The highest CuSO4rejection rate exceeded 99.95%, so AGMD process has potential for CuSO4separation from aqueous solution.

AbstractBackground:A comprehensive approach involving both environmental and individual strategies offers opportunities to strengthen school-based interventions for childhood obesity.Objectives:To evaluate a theory-based comprehensive intervention implemented within primary schools for childhood obesity in China.Methods:A 1-year, cluster randomized controlled trial was conducted in twelve primary schools (7–11 years old) in Beijing, China. Environmental and individual factors were improved in the intervention group (6 schools, 930 children) to promote knowledge and behaviors related to energy balance. The control group (6 schools, 959 children) did not receive any intervention. The primary outcome was body mass index (BMI) and its Z-score at 12 months. Generalized linear mixed models were used controlling for the cluster effect of school.Results:No significant differences were found between groups on BMI (0.07 kg/m2[95% confidence interval (CI) −0.16 to 0.31, p= 0.54]) and its Z-score (0.02 [95% CI: −0.08 to 0.11, p= 0.73]) at 12 months. Self-reported knowledge, daily consumption of sugar-sweetened beverage, and frequency of moderate to vigorous physical activity improved at 12 months.Conclusions:The intervention did not mitigate excess weight gain, but did improve children's knowledge and several behaviors related to energy balance.

The objective of this study was to evaluate the diagnostic value of 128-slice spiral CT combined with virtual colonoscopy in diagnosis of colorectal cancer. We retrospectively analyzed 45 patients of colorectal diseases who underwent definition AS+128-slice spiral CT combined with virtual colonoscopy after bowel preparation and gas injection to evaluate the clinical diagnostic value of this technology. All the patients received electronic colonoscopy and were confirmed by pathology. In total, colorectal cancer was confirmed in 42 cases and inflammation in 3 cases. Diagnostic results shows: there were 17 cases of lump, 10 cases of infiltration, 6 cases of ulcer, 9 cases of mixed type, 4 cases of liver metastases, and 36 cases of lymph node metastasis. There was no significant difference between 128-slice spiral CT combined with virtual colonoscopy and electronic colonoscopy in detection, localization and characterization of colorectal tumors. CT virtual endoscopy has great advantages in observing the invasion around the lesion and the presence or absence of metastasis in distant organs and lymph node metastasis. It is also possible to understand the shape of the lesion in the intestinal lumen and the length of the lesion involving the lumen of the intestine.

Experimentally and theoretically determined magnetic and electric dipole moments, bond distances, and vibrational spacings are used for a comparative study of the bonding in ThF and ThCl. Numerous bands in the visible electronic spectra between 16 400 and 18 800 cm–1of supersonically cooled molecular beam samples have been detected using medium-resolution (Δν ≈ 0.1 cm–1) 2D spectroscopy. High-resolution (Δν < 20 MHz) field-free, Stark, and Zeeman spectroscopy of the detected [18.6]Ω = 3/2 – X2Δ3/2band of ThF near 538.4 nm and the [18.2]Ω = 3/2 – X2Δ3/2band of ThCl near 551.0 nm have been recorded and analyzed. Stark shifts and splitting were analyzed to produce |μ⃗el| values of 1.453(7) D and 0.588(9) D for the X2Δ3/2and [18.6]Ω = 3/2 states of ThF, respectively, and 2.022(35) D and 3.020(55) D for the X2Δ3/2and [18.2]Ω = 3/2 states of ThCl. Zeeman splittings and shifts were analyzed to produce gevalues of 1.038(4) and 1.079(4) for the X2Δ3/2and [18.6]Ω = 3/2 states of ThF and 1.130(4) and 1.638(4) for the X2Δ3/2and [18.2]Ω = 3/2 states of ThCl. Analysis of gevalues demonstrates that the X2Δ3/2and [18.6]Ω = 3/2 states of ThF and the X2Δ3/2state of ThCl are predominately 2Δ3/2spin–orbit components, whereas the [18.2]Ω = 3/2 state of ThCl is an admixture of 2Δ3/2and 2Π3/2spin–orbit components. A molecular orbital description of the ground states is used to rationalize the observed |μ⃗el|values for the ThX (X = F, Cl, O, and S) series and garner insight into the bonding mechanism. The dipole moments in the ground state of ThF and ThCl have been calculated using relativistic coupled-cluster methods. It is demonstrated that the systematic inclusion of electron-correlation contributions plays an essential role in obtaining accurate predictions for the dipole-moment values in ThF and ThCl.

Metallocene linear low-density polyethylene (m-LLDPE) has superior physical and mechanical properties. While, the film blowing processability of m-LLDPE was very poor when processed under shear flow. To overcome this drawback, a novel device based on elongational flow was self-developed to process m-LLDPE. In order to investigate the effect of elongational flow on the processability improvement of m-LLDPE, five types PE were studied in this paper. All kinds of PE were prepared using this novel device and traditional single-screw extruder with molecular weight and its distribution, mechanical properties and WAXD characterization. Gel Pemeation Chromotographer (GPC) data shows that molecular weight of each resin prepared using this novel eccentric rotor extruder (ERE) is higher than that processed by traditional single screw extruder (SSE). Mechanical properties showed that tensile properties of all kinds of films blowing from ERE is better than the one from SSE. However, tear properties of m-LLDPE films made from ERE differ from LDPE or LLDPE. And had a relative low value than the one made from SSE. In addition, Wide-angle X-ray Diffraction (WAXD) results indicate that films blowing from ERE exist a partially ordered component in addition to the usual crystalline and amorphous components which can’t be achieved from SSE.

In this study, isotactic polypropylene hollow fiber membranes were fabricated using co-diluent of di-n-butyl phthalate and dioctyl phthalate via thermally induced phase separation method. A coarsening model in terms of the momentum, mass and heat transfer during the spinning process was established to describe the effect of the spinning temperature on the membrane. The increasing spinning temperature increased the predicted solidification time and decreased phase separation time simultaneously. Moreover, the diluent evaporation on the outer surface is dramatically influenced by temperature. The prepared hollow fiber membranes were used to concentrate NaCl saline water of 30 up to 80 g/L about 100 h to evaluate the performance of air gap membrane distillation process in terms of permeation flux and gain output ratio. The salt rejection always exceeded 99.9% in the concentration experiment.

Isotactic polypropylene(iPP) and graphene oxide(GO), dispersed in dibutyl phthalate(DBP) and dioctyl phthalate(DOP), were blended to prepare organic-inorganic-blended microfiltration membranes using thermally induced phase separation(TIPS). These membranes were characterized by scanning electron microscopy(SEM), Fourier transform infrared spectroscopy(FTIR), contact angle measurements, mechanical properties, permeation tests, and porosity measurements. The morphology studied by SEM shows larger pores of the GO-blended membranes when compared to those of unmodified iPP membranes. Composite iPP/GO membranes achieve better performance in terms of water fluxes and pure water fluxes recovery ratio due to the hydrophilic nature of GO when compared with the pure iPP membranes. The addition of GO increases the permeability and the tensile strength by 352.98% and 123%, respectively, and also decreases the contact angle from 125° to 52.33°. We concluded that the composite membrane with 0.3% GO has the best antifouling ability of the membranes tested because it has the highest values of mean pore radius, porosity, and water flux observed in this study.

By using resting-state functional MR imaging with graph analysis to investigate topologic organization of the brain in patients with Parkinson disease in relation to disease severity, the decrease in nodal centralities with increasing Hoehn and Yahr stage was shown to be restricted to the sensorimotor and temporal cortex.