Optimization and field application of an eco-friendly molasses-based dust suppressant for open-pit coal mine haul roads.

To overcome the limitations of conventional water-based dust suppression in arid, high-temperature open-pit coal mine haul roads, this study developed an innovative molasses-based dust suppressant with enhanced water retention and consolidation capabilities. The formulation leverages molasses-a sugar industry byproduct with inherent anti-evaporation properties-as its core component, supplemented with surfactant (sodium dodecyl benzene sulfonate, SDBS), humectant (glycerol), and hygroscopic (calcium chloride, CaCl₂) additives. Employing response surface methodology (RSM), the optimal composition was determined to be: 31.

Integrated transcriptomics and metabolomics elucidate how arbuscular mycorrhizal fungi alleviate drought stress in Juglans sigillata.

Walnut (Juglans sigillata), an economically significant ecotype of the Juglans genus in the Juglandaceae family, is cultivated mainly in southwest China, a region prone to seasonal drought. Drought significantly reduced both the yield and quality of walnuts in this area. Arbuscular mycorrhizal fungi (AMF) are symbiotic fungi that colonize plant roots and play crucial roles in enhancing plant drought resistance.

Joint event extraction model based on dynamic attention matching and graph attention networks.

Event extraction is one of the important processes in event knowledge graph construction. However, extant event extraction models are confronted with the challenge of handling vague and unfamiliar event trigger words as well as noise that is prevalent in text. To address this issue, this study proposes a joint event extraction model that leverages dynamic attention matching and graph attention network.

Pd/Ag-Cocatalyzed Merging Intramolecular Oxidative Coupling and Cascade [4 + 2] Cycloaddition: Synthesis and Photophysical Properties of Novel Polycyclic -Heterocycles Fused Naphthoquinones.

We report a step-economic strategy for the direct synthesis of novel polycyclic -heterocycle-fused naphthoquinones by merging intramolecular oxidative coupling and cascade [4 + 2] cycloaddition. In the protocol, mechanistic investigations suggest that the cascade reaction involves the intermediate spiro polycyclic -heterocycles and [4 + 2] cycloaddition processes. This protocol is featured with moderate to excellent yields, wide substrate scope, and divergent structures of products.

Study on the embryotoxic effects and potential mechanisms of Aconitum diterpenoid alkaloids in rat whole embryo culture through morphological and transcriptomic analysis.

Ethnopharmacological Relevance: The lateral root of Aconitum carmichaelii Debeaux, or Fuzi, is recognized in Asia for its anti-inflammatory, analgesic, and cardiotonic effects. Its main active compounds are diester diterpenoid alkaloids (DDAs) such as aconitine (AC), mesoacitine (MA), and hypoaconitine (HA), which are also toxic and have a narrow therapeutic window, limiting their clinical use. Although Aconitum DDAs are known for cardiotoxic and neurotoxic effects, their impact on embryonic development remains unclear.

(Non-) periodic variation of excited-state properties for coinage metal dimers M (M = Cu, Ag, Au, Rg).

The impact of relativistic effects on the periodicity of elements has significant implications for the prediction of the properties of atoms and their compounds. In this study, (non-) periodic variations of the properties of Group IB dimers are investigated from the perspective of excited states. The EOM-CCSD and EOM-CCSD(T)(a)* methods along with wave function analysis tools are employed to investigate their excited state.

Triple Electron Attachments with a New Intermediate-Hamiltonian Fock-Space Coupled-Cluster Method.

The implementation of a new intermediate-Hamiltonian Fock-space coupled-cluster (IHFSCC) scheme for the (3,0) sector of the Fock space is reported. In this IHFSCC approach, the three-body contributions in the cluster operator corresponding to the (3,0) sector of the Fock space are considered, while and at the (1,0) and (2,0) level only include one- and two-body operators. By introducing a suitable partition of the wave operator, the intermediate Hamiltonian, which only depends on the two-body operator of S, is obtained.

Identification of ARF genes in Juglans Sigillata Dode and analysis of their expression patterns under drought stress.

Background: Auxin response factor (ARF), a transcription factors that controls the expression of genes responsive to auxin, plays a key role in the regulation of plant growth and development. Analyses aimed at identifying ARF family genes and characterizing their functions in Juglans sigillata Dode are lacking.

Methods And Results: We used bioinformatic approaches to identify members of the J.

Fully automated deep learning model for detecting proximity of mandibular third molar root to inferior alveolar canal using panoramic radiographs.

Objective: This study endeavored to develop a novel, fully automated deep-learning model to determine the topographic relationship between mandibular third molar (MM3) roots and the inferior alveolar canal (IAC) using panoramic radiographs (PRs).

Study Design: A total of 1570 eligible subjects with MM3s who had paired PR and cone beam computed tomography (CBCT) from January 2019 to December 2020 were retrospectively collected and randomly grouped into training (80%), validation (10%), and testing (10%) cohorts. The spatial relationship of MM3/IAC was assessed by CBCT and set as the ground truth.

Synthesis of Spiro Polycyclic N-Heterocycles and Indolecarbazoles via Merging Oxidative Coupling and Cascade Palladium-Catalyzed Intramolecular Oxidative Cyclization.

We report a step-economic strategy for the direct synthesis of spiro polycyclic N-heterocycles and indolecarbazole-fused naphthoquinones by merging oxidative coupling and cascade palladium-catalyzed intramolecular oxidative cyclization. In the protocol, bi-indolylnaphthoquinones were first synthesized by oxidative coupling of indoles and naphthoquinones. Subsequent cascade palladium-catalyzed intramolecular oxidative cyclization of bi-indolylnaphthoquinones gave spiro polycyclic N-heterocycles and indolecarbazoles.

Measuring the continuing care needs of inpatients in rural China.

Background: International experience shows that the suitability of a high-performance healthcare system for its given purposes is reflected in its ability to provide a continuum of services that match the changing health status of the given population. Although many low- and middle-income countries have sought to bring movement away from hospital-centered and towards patient-centered healthcare, such efforts have often had poor results, and one of the major reasons for this is the inability to accurately identify which inpatients need continuing care and what kind of continuing of care is needed.

Objectives: To measure and assess the continuing care needs of discharged patients and its influencing factors in rural China.

The role of arbuscular mycorrhizal symbiosis in plant abiotic stress.

Arbuscular mycorrhizal fungi (AMF) can penetrate plant root cortical cells, establish a symbiosis with most land plant species, and form branched structures (known as arbuscules) for nutrient exchange. Plants have evolved a complete plant-AMF symbiosis system to sustain their growth and development under various types of abiotic stress. Here, we highlight recent studies of AM symbiosis and the regulation of symbiosis process.

Error of relativistic effective core potentials for closed-shell diatomic molecules of p-block heavy and superheavy elements in DFT and TDDFT calculations.

Pseudopotentials (PP) are extensively used in electronic structure calculations, particularly for molecules containing heavy elements. Parameters in PPs are mainly determined from ab initio results, and errors of such PPs in density functional theory (DFT) calculations have been studied previously. However, PP errors on results with spin-orbit coupling and those in time-dependent DFT (TDDFT) calculations have not been reported previously.

Diffusion quantum Monte Carlo study on magnesium clusters as large as nanoparticles.

Nanoscale magnesium clusters are important potential hydrogen storage materials, and density functional theory (DFT) is mainly used for their theoretical investigation. The results of the coupled-cluster theory at the singles and doubles level with a perturbative treatment of triples [CCSD(T)] were employed previously to choose proper exchange-correlation (XC) functionals in DFT calculations for magnesium clusters, but it is too expensive to be applied to Mgn with n > 7. The diffusion Monte Carlo (DMC) method is employed in this work to study magnesium clusters up to nanosize.

Identification of chemosensitizing agents of colorectal cancer in using an NMR-based chemometric approach.

Searching for new adjuvants of conventional chemotherapeutic approaches against colorectal cancer cells is extremely urgent. In current research, a non-targeted analytical approach was established by combining proton nuclear magnetic resonance spectroscopy with a chemometrics data mining tool to identify chemosensitizing agents from . This approach enabled the identification of potential active constituents in the initial fractionation process and provided their structural information.

Barrier heights, reaction energies and bond dissociation energies for RH + HO reactions with coupled-cluster theory, density functional theory and diffusion quantum Monte Carlo methods.

Hydrogen abstraction reactions by the HO radical from hydrocarbon molecules are an important class of reactions in the autoignition of hydrocarbon fuels. Performance of DLPNO-CC and DFT methods using three hybrids and four double hybrids as well as FN-DMC with the single-Slater-Jastrow trial wavefunction on barrier heights and reaction energies of RH + HO reactions as well as bond dissociation energies of the involved X-H molecules is evaluated by comparison with the highly accurate CCSD(T)-F12b/CBS results in this study. Our results show that the DLPNO-CCSD(T)-F12 method can achieve highly accurate barrier heights, reaction energies and X-H bond energies for RH + HO reactions at a relatively low computational cost, and it is applicable to the H-abstraction reactions of larger molecules.

A serum metabolomics study based on LC-MS: Chemosensitization effects of Rauvolfia vomitoria Afzel. combined with 5- fluorouracil on colorectal cancer mice.

Colorectal cancer (CRC) is one of the malignant tumors with high incidence, and is mainly treated by chemotherapy at present. However, during CRC treatment, long-term use of traditional chemotherapeutic drugs will reduce the sensitivity of chemotherapy. Our previous studies have shown that Rauvolfia vomitoria total alkaloids (RVA) played an important role in 5-fluorouracil (5-FU) chemosensitization in CRC therapy, but its intervention mechanism has not been clarified completely in the metabolic level.

Rhodium(II)-Catalyzed C(sp )-H Diamination of Arylcyclobutanes.

Activated by multiple consecutive oxidative radical-polar crossover and desaturation processes, the selective diamination of arylcyclobutanes, which is difficult to perform by classical metallonitrene C-H insertion, was achieved in a short time by rhodium(II) catalysis using N-fluorobenzenesulfonimide (NFSI) as the oxidant and nitrogen source.

Iron catalyzed C-C dehydrogenative coupling reaction: synthesis of arylquinones from quinones/hydroquinones.

An atom-economical approach for the synthesis of arylquinones was achieved successfully direct oxidative C-C dehydrogenative coupling reaction of quinones/hydroquinones with electron-rich arenes using an inexpensive Fe-I-(NH)SO system. The efficiency of this catalytic approach was established with a broad scope of substrates involving quinones and hydroquinones to give high yields (60-89%) of several arylated quinones. The present protocol is simple, practical, and shows good functional group tolerance.

Intermediate Hamiltonian Fock-space coupled-cluster theory for excitation energies, double ionization potentials, and double electron attachments with spin-orbit coupling.

The intermediate Hamiltonian Fock-space coupled-cluster methods at the singles and doubles level (IHFSCCSD) for excitation energies in the (1p, 1h) sector, double ionization potentials in the (0p, 2h) sector, and double electron attachments in the (2p, 0h) sector of the Fock space are implemented based on the CCSD method with spin-orbit coupling (SOC) included in the post-Hartree-Fock treatment using a closed-shell reference in this work. The active space is chosen to contain those orbitals that have the largest contribution to principal ionized or electron-attached states obtained from the equation-of-motion coupled-cluster calculations. Both time-reversal symmetry and spatial symmetry are exploited in the implementation.

Impact of global budget combined with pay-for-performance on the quality of care in county hospitals: a difference-in-differences study design with a propaensity-score-matched control group using data from Guizhou province, China.

Background: Provider payment system has a profound impact on health system performance. In 2016, a number of counties in rural Guizhou, China, implemented global budget (GB) for county hospitals with quality control measures. The aim of this study is to measure the impact of GB combined with pay-for-performance on the quality of care of inpatients in county-level hospitals in China.

Research Progress of NMR in Natural Product Quantification.

In the fields of medicine and health, traditional high-performance liquid chromatography or UV-visible spectrophotometry is generally used for substance quantification. However, over time, nuclear magnetic resonance spectroscopy (NMR) has gradually become more mature. Nuclear magnetic resonance spectroscopy has certain advantages in the quantitative analysis of substances, such as being nondestructive, having a high flux and short analysis time.

Oxidatively Induced Selective Carbon-Carbon Bond Formation From Isolated Rhodium(III) Complexes.

This work focuses on oxidatively induced regioselective intramolecular C-C bond formations based on the Rh complexes synthesized from dirhodium(II) trifluoroacetate with 2-arylpyridines. With the selection of electron-donating groups on the arene rings of 2-arylpyridines, the unusual meta-ortho C-C bond-forming was favored, which led to the formation of meta-substituted 2-arylpyridine homocoupling dimers. On the contrary, the electron-withdrawing groups have tendency to occur conventional ortho-ortho bond-forming, resulting in the formation of new Rh complexes possessing the intriguing Rh (TFA) fragment.

Stationary Points on Potential Energy Surface of Cyclic CH with Coupled-Cluster Approaches and Density Functional Theory.

Cyclic CH is the simplest cyclic hydrocarbon, but its configuration is complicated. The ground E″ state at the equilateral triangle geometry with symmetry undergoes both Jahn-Teller (JT) distortion and pseudo-Jahn-Teller (PJT) distortion to structures with , , , or symmetry. Previous works using complete active space self-consistent field (CASSCF) or multiconfiguration SCF (MCSCF) differ on the characteristics of these structures.

Assembly of polycyclic N-heterocycles copper-catalyzed cycloamination of indolylquinones and aromatic amines.

The copper-catalyzed cycloamination of indolylquinones and various (hetero)aromatic amines under ligand-free conditions for the synthesis of polycyclic N-heterocycles has been developed. This method allows facile access to polycyclic N-heterocycles with the tolerance of chloride, bromide, amino, thio, etc. groups in moderate to high yields (60-89%).