Ultrahigh carrier mobility and multidirectional piezoelectricity in 2D Janus copper-containing chalcogenide monolayers.

Two-dimensional (2D) materials have attracted enormous research attention due to their remarkable properties and potential applications in electronic and optoelectronic devices. In this work, Janus 2D copper-containing chalcogenides, CuPSeS and CuPTeSe monolayers, are proposed and studied systematically based on first-principles calculations. These two Janus-structured materials possess the same thermal and dynamic stability as the perfect CuPSe structure.

Systematic investigation on the pharmaceutical components and mechanism of the treatment against zebrafish enteritis by Sporisorium reilianum f. sp. reilianum based on histomorphology and pathology.

Ethnopharmacological Relevance: Sporisorium reilianum f. sp. reilianum (SSR) is a fungus isolated from a medicinal plant.

Suppressed Lattice Thermal Conductivity in Haeckelite Compounds for High-Performance Thermoelectric Applications.

Traditional semiconductors are known to exhibit excellent electrical properties but oversized lattice thermal conductivities, thus limiting their thermoelectric performance. Herein, we have discovered a low-energy allotrope of those traditional semiconductors. Compared with the wurtzite structure, the lattice thermal conductivity is reduced by more than five times in the haeckelite structure.

Rational Design of Tetrahedral Derivatives as Efficient Light-Emitting Materials Based on "Super Atom" Perspective.

Traditional semiconductor quantum dots of groups II-VI are key ingredients of next-generation display technology. Yet, the majority of them contain toxic heavy-metal elements, thus calling for alternative light-emitting materials. Herein, we have explored three novel categories of multicomponent compounds, namely, tetragonal II-III-VI porous ternary compounds, cubic I-II-VI ternary compounds, and cubic I-II-III-V quaternary compounds.

Kalopanax septemlobus: its phytochemistry, pharmacology and toxicity (1966-2022).

Kalopanax septemlobus is a traditional herbal medicine for multiple medicinal sites (root, stem bark, bark, leaves) in East Asia, and its bark has a significant curative effect on rheumatoid arthritis. In the past 13 years (2009-2022), the research literature accounted for 50% of the total, and it is becoming a research highlight of the relevant international scholars (ACS, ScienceDirect, PubMed, Springer, and Web of Science). This paper is the first comprehensive review of its chemistry, pharmacology, and toxicity for more than half a century (1966-2022), in which the chemical studies include triterpenoids & saponins (86 compounds), and phenylpropanoids (26 compounds), involving 46 new structures and one biomarker-triterpenoid saponin (Kalopanaxsaponin A); According to the number of literature, the pharmacological effects and mechanisms are systematically divided into five aspects, such as: anti-inflammatory, anti-tumor, antioxidant, antifungal and anti-diabetic, etc.

Design Principle for Tetrahedral Semiconductors and Their Functional Derivatives: Cation Stabilizing Charged Cluster Network.

Colloidal quantum dots (QDs) of groups II-VI and III-V are key ingredients for next-generation light-emitting devices. Yet, many of them are heavy-element-containing or indirect bandgap, causing limited choice of environmental friendly efficient light-emitting materials. Herein, we resolve this issue by exploring potential derivatives of the parent semiconductors, thus expanding the material space.

Efficient Band-Edge Emission from Indirect Bandgap Semiconductor Quantum Dots upon Shell Engineering.

Environmentally friendly colloidal quantum dots (QDs) of groups III-V are in high demand for next-generation high-performance light-emitting devices for display and lighting, yet many of them (e.g., GaP) suffer from inefficient band-edge emission due to the indirect bandgap nature of their parent materials.

Classification of Tea Quality Levels Using Near-Infrared Spectroscopy Based on CLPSO-SVM.

In this paper, we propose a method for classifying tea quality levels based on near-infrared spectroscopy. Firstly, the absorbance spectra of Huangshan Maofeng tea samples were obtained in a wavenumber range of 10,000~4000 cm using near-infrared spectroscopy. The spectral data were then converted to transmittance and smoothed using the Savitzky-Golay (SG) algorithm.

A novel 2D material with intrinsically low thermal conductivity of GaO(100): first-principles investigations.

The discovery of new semiconducting materials with low thermal conductivity is of vital importance in promoting thermal energy conversion and management. Herein, lattice dynamical and thermal transport mechanism of new energetically stable 2D GaO(100) is presented using density functional theory. The results show that 2D GaO(100) possesses an extremely low lattice thermal conductivity of ∼0.

First-principles investigation on the transport properties of quaternary CoFeRGa (R = Ti, V, Cr, Mn, Cu, and Nb) Heusler compounds.

The Heusler alloys CoFeRGa (R = Ti, V, Cr, Mn, Cu, and Nb) have similar chemical compositions, but exhibit remarkably distinct electronic structures, magnetism and transport properties. These structures cover an extensive range of spin gapless semiconductors, half-metals, semiconductors and metals with either ferromagnetic, ferrimagnetic, antiferromagnetic, or nonmagnetic states. The Heusler alloys have three types of structures, namely, type-I, type-II, and type-III.

Ternary multicomponent Ba/Mg/Si compounds with inherent bonding hierarchy and rattling Ba atoms toward low lattice thermal conductivity.

Compositional tailoring externally enables the fine tuning of thermal transport parameters of materials using the dual modulation of electronic or thermal transport properties. Theoretically, we examined the lattice dynamics of three particularly ternary representatives with different stoichiometry, BaMgSi, BaMgSi, and BaMgSi, and identified the inherent bonding hierarchy and rattling Ba atoms, which were responsible for reducing the lattice thermal conductivity. BaMgSi and BaMgSi exhibited inherently ultra-low lattice thermal conductivity of 1.

Electronic structure and thermoelectric properties of full Heusler compounds CaYZ (Y = Au, Hg; Z = As, Sb, Bi, Sn and Pb).

We investigate the transport properties of bulk CaYZ (Y = Au, Hg; Z = As, Sb, Bi, Sn and Pb) by a combination method of first-principles and Boltzmann transport theory. The focus of this article is the systematic study of the thermoelectric properties under the effect of a spin-orbit coupling. The highest dimensionless figure of merit () of CaAuAs at optimum carrier concentration are 1.

Inhibition of TGF-β Signaling in Gliomas by the Flavonoid Diosmetin Isolated from L.

L, a traditional Kazakh medicine, has good expectorant, anti-cough, and to some degree, anti-asthmatic effects. Diosmetin (3',5,7-trihydroxy-4'-methoxyflavone), a natural flavonoid found in traditional Chinese herbs, is the main flavonoid in L. and has been used in various medicinal products because of its anticancer, antimicrobial, antioxidant, estrogenic, and anti-inflammatory effects.

Angelica polysaccharides inhibit the growth and promote the apoptosis of U251 glioma cells in vitro and in vivo.

Background: Angelica sinensis (Oliv) Diels (Apiaceae) is a traditional medicine that has been used for more than 2000 years in China. It exhibits various therapeutic effects including neuroprotective, anti-oxidant, anti-inflammatory, and immunomodulatory activities. Angelica polysaccharides (APs), bioactive constituents of Angelica have been shown to be responsible for these effects; however, the utility of APs for the treatment of glioma and their mechanism of action remain to be elucidated.

Optimum electronic structures for high thermoelectric figure of merit within several isotropic elastic scattering models.

Electronic band structure is vital in determination the performance of thermoelectric materials. What is the optimum electronic structure for the largest figure of merit? To answer the question, we studied the relationship between the thermoelectric properties and the electronic band structure under the assumption of isotropic elastic scattering, within the context of Chasmar-Stratton theory. The results show that whether the anisotropic band structure and the effective mass of the carrier are beneficial to improving the thermoelectric properties.

Ag-Mg antisite defect induced high thermoelectric performance of α-MgAgSb.

Engineering atomic-scale native point defects has become an attractive strategy to improve the performance of thermoelectric materials. Here, we theoretically predict that Ag-Mg antisite defects as shallow acceptors can be more stable than other intrinsic defects under Mg-poor‒Ag/Sb-rich conditions. Under more Mg-rich conditions, Ag vacancy dominates the intrinsic defects.

Deoxyschizandrin suppresses dss-induced ulcerative colitis in mice.

Background/aims: Deoxyschizandrin as one of the most important component of Schisandra chinensis (Turcz.) Baill plays an immunomodulatory role in a variety of diseases, yet its role in ulcerative colitis remains to be elucidated. We aimed to investigate the role of deoxyschizandrin in DSS-induced ulcerative colitis in mice.

Origin of high thermoelectric performance of FeNb1-xZr/HfxSb1-ySny alloys: A first-principles study.

The previous experimental work showed that Hf- or Zr-doping has remarkably improved the thermoelectric performance of FeNbSb. Here, the first-principles method was used to explore the possible reason for such phenomenon. The substitution of X (Zr/Hf) atoms at Nb sites increases effective hole-pockets, total density of states near the Fermi level (EF), and hole mobility to largely enhance electrical conductivity.

Optimizing the Dopant and Carrier Concentration of Ca5Al2Sb6 for High Thermoelectric Efficiency.

The effects of doping on the transport properties of Ca5Al2Sb6 are investigated using first-principles electronic structure methods and Boltzmann transport theory. The calculated results show that a maximum ZT value of 1.45 is achieved with an optimum carrier concentration at 1000 K.

An impurity intermediate band due to Pb doping induced promising thermoelectric performance of Ca5In2Sb6.

Band engineering is one of the effective approaches for designing ideal thermoelectric materials. Introducing an intermediate band in the band gap of semiconducting thermoelectric compounds may largely increase the carrier concentration and improve the electrical conductivity of these compounds. We test this hypothesis by Pb doping in Zintl Ca5In2Sb6.

A class of rare antiferromagnetic metallic oxides: double perovskite AMn3V4O12 (A = Na(+), Ca(2+), and La(3+)) and the site-selective doping effect.

We have investigated the structural, electronic, and magnetic properties of A-site-ordered double-perovskite-structured oxides, AA'3B4O12 (A = Na, Ca, and La) with Mn and V at A' and B sites, respectively, using first-principle calculations based on the density functional theory. Our calculation results show that the antiferromagnetic phase is the ground state for all the compounds. By changing the A-site ions from Na(+) to Ca(2+) and then to La(3+), the transfer of charge between Mn and O ions was changed from 1.

Alfalfa (Medicago sativa L.)/maize (Zea mays L.) intercropping provides a feasible way to improve yield and economic incomes in farming and pastoral areas of northeast China.

Given the growing challenges to food and eco-environmental security as well as sustainable development of animal husbandry in the farming and pastoral areas of northeast China, it is crucial to identify advantageous intercropping modes and some constraints limiting its popularization. In order to assess the performance of various intercropping modes of maize and alfalfa, a field experiment was conducted in a completely randomized block design with five treatments: maize monoculture in even rows, maize monoculture in alternating wide and narrow rows, alfalfa monoculture, maize intercropped with one row of alfalfa in wide rows and maize intercropped with two rows of alfalfa in wide rows. Results demonstrate that maize monoculture in alternating wide and narrow rows performed best for light transmission, grain yield and output value, compared to in even rows.

The relationship between the electronic structure and thermoelectric properties of Zintl compounds M2Zn5As4 (M = K, Rb).

The electronic structure and the thermoelectric properties of M2Zn5As4 (M = K, Rb) are studied by the first principles and the semiclassical BoltzTraP theory. It is determined that they are semiconductors with an indirect band gap of about 1 eV, which is much larger than that of Ca5Al2Sb6 (0.50 eV).