MB(M=Be and Zn): A Quasi-Planar Structure Rather Than a Core-Shell Octahedral Borospherene Structure.

In a recent paper (ChemPhysChem, 2023, 24, e202200947), based on the results computed using DFT method, the perfect core-shell octahedral configuration Be@B and Zn@B was reported to be the global minima of the MB(M=Be and Zn) clusters. However, this paper presents the lower energy structures of MB(M=Be and Zn) clusters as a quasi-planar configuration, the Be atom is found to reside on the convex surface of the quasi-planar B isomer, while the Zn atom tends to be attached to the top three B atoms of the quasi-planar B isomer. Our results show that quasi-planar MB(M=Be and Zn) at DFT method have lower energy than core-shell octahedral configuration M@B(M=Be and Zn).

Size effects and electronic properties of zinc-doped boron clusters Zn (n = 1-15).

Context: To gain a deeper understanding of zinc-doped boron clusters, theoretical calculations were performed to investigate the size effects and electronic properties of zinc-doped boron clusters. The study of the electronic properties, spectral characteristics, and geometric structures of Zn (n = 1-15) is of great significance in the fields of semiconductor materials science, material detection, and improving catalytic efficiency. The results indicate that Zn (n = 1-15) clusters predominantly exhibit planar or quasi-planar structures, with the Zn atom positioned in the outer regions of the framework.

PB and PB: The Novel B Cage Doped by Nonmetallic P Atoms.

A new kind of nonmetallic atom-doped boron cluster is described herein theoretically. When a phosphorus atom is added to the B motif and loses an electron, a novel B cage is obtained, composed of two B rings at both ends and one B ring in the middle, forming a triangular bifrustum. Interestingly, this B cage is formed by three B units joined together from three directions at an angle of 120°.

Structural Evolution and Electronic Properties of Two Sulfur Atom-Doped Boron Clusters.

We present a theoretical study of structural evolution, electronic properties, and photoelectron spectra of two sulfur atom-doped boron clusters SB ( = 2-13), which reveal that the global minima of the SB ( = 2-13) clusters show an evolution from a linear-chain structure to a planar or quasi-planar structure. Some S-doped boron clusters have the skeleton of corresponding pure boron clusters; however, the addition of two sulfur atoms modified and improved some of the pure boron cluster structures. Boron is electron-deficient and boron clusters do not form linear chains.

Structural Evolution and Electronic Properties of Selenium-Doped Boron Clusters SeB (n = 3-16).

A theoretical research of structural evolution, electronic properties, and photoelectron spectra of selenium-doped boron clusters SeB (n = 3-16) is performed using particle swarm optimization (CALYPSO) software in combination with density functional theory calculations. The lowest energy structures of SeB (n = 3-16) clusters tend to form quasi-planar or planar structures. Some selenium-doped boron clusters keep a skeleton of the corresponding pure boron clusters; however, the addition of a Se atom modified and improved some of the pure boron cluster structures.

Geometric Structure, Electronic, and Spectral Properties of Metal-free Phthalocyanine under the External Electric Fields.

Here, the ground-state structures, electronic structures, polarizability, and spectral properties of metal-free phthalocyanine (HPc) under different external electric fields (EEFs) are investigated. The results show that EEF has an ultrastrong regulation effect on various aspects of HPc; the geometric structures, electronic properties, polarizability, and spectral properties are strongly sensitive to the EEF. In particular, an EEF of 0.

Cytoskeletal protein SPTA1 mediating the decrease in erectile function induced by high-fat diet via Hippo signaling pathway.

Background: The mechanism of high-fat diet (HFD)-induced decrease in erectile function has not been elucidated, and in previous studies, spectrin alpha, erythrocytic 1 (SPTA1) is a cytoskeletal protein that regulates cellular function, which belongs to a family of proteins that can affect cell and tissue growth and development by regulating YAP, an effector on the Hippo signaling pathway, but its particular role has not been elucidated.

Objective: To explore the role of SPTA1 in the abnormality of erectile function induced by HFD.

Methods: We analyzed the penile tissues of mice on normal diet and HFD by transcriptomics and screened for differentially expressed genes, further identified closely related target genes in rat penile tissues, and verified target gene expression in in vitro construction of high-glucose (HG)-treated corpus cavernosum endothelial cells (CCECs) and corpus cavernosum smooth muscle cells (CCSMCs) models.

Structures, and electronic and spectral properties of single-atom transition metal-doped boron clusters MB (M = Sc, Ti, V, Cr, Mn, Fe, Co, and Ni).

A theoretical study of geometrical structures, electronic properties, and spectral properties of single-atom transition metal-doped boron clusters MB (M = Sc, Ti, V, Cr, Mn, Fe, Co, and Ni) is performed using the CALYPSO approach for the global minimum search, followed by density functional theory calculations. The global minima obtained for the MB (M = Sc, Ti, V, and Cr) clusters correspond to cage structures, and the MB (M = Mn, Fe, and Co) clusters have similar distorted four-ring tubes with six boron atoms each. Interestingly, the global minima obtained for the NiB cluster tend to a quasi-planar structure.

[Effects of regulation measure on soil and microbial biomass of moderately degraded alpine meadow in Qilian Mountain, China].

We examined the effects of different regulation measures (spring rest grazing, spring rest grazing-cutting turf, spring rest grazing-cutting turf-fertilization, spring rest grazing-cutting turf-sowing, spring rest grazing-cutting turf-fertilization-sowing) on vegetation, soil physical and chemical properties, and soil microbial biomass in mode-rately degraded alpine meadow in Qilian Mountain. The results showed that all the regulation measures significantly increased plant coverage and aboveground and underground biomass of degraded alpine meadows. Plant species richness increased significantly under the two measures of spring rest grazing-cutting turf-fertilization and spring rest grazing-cutting turf-fertilization-sowing.

Structural and Electronic Properties of Single-Atom Transition Metal-Doped Boron Clusters MB (M = Sc, V, and Mn).

A theoretical study of geometrical structures, electronic properties, and spectral properties of single-atom transition metal-doped boron clusters MB (M = Sc, V, and Mn) is performed using the CALYPSO approach for the global minimum search, followed by density functional theory calculations. The global minima obtained for the VB and MnB clusters correspond to cage structures. Interestingly, the global minima obtained for the ScB cluster tend to a three-ring tubular structure.

Culture and purification of SD rat corpus cavernosum endothelial cells by enzymatic digestion combined with mechanical extrusion and fixed-point digestion.

To explore a new method of in vitro culture and purification of rat corpus cavernosum endothelial cells (CCECs). Male Sprague-Dawley rats' penile tissue were digested with elastase or collagenase combined with mechanical extrusion to isolate and culture the CCECs. The fixed-point digestion method was used to purify the primary cells.

The characteristics of soil fungal community in degraded alpine meadow in the Three Rivers Source Region, China.

To clarify the variation of species composition, diversity, and functional structure of soil fungi community along alpine meadow degradation,we examined the characteristics and controlling factors of soil fungal communities in non-degraded, lightly degraded, moderately degraded, severely degraded and extremely degraded (black soil beach) alpine meadows at the Three Rivers Source Region, based on the high-throughput gene sequencing and FUNGuild functional prediction. The results showed that the dominant phyla in alpine meadow soil were Ascomycota, Basidiomycetes, and Mortierellomycota. Species composition of soil fungal community varied greatly in alpine meadow under different levels of degradation.

Structures, Electronic, and Spectral Properties of Doped Boron Clusters MB (M = Li, Na, and K).

Structures and electronic properties of alkali metal atom-doped boron clusters MB (M = Li, Na, K) are determined using the CALYPSO method for the global minimum search followed by density functional theory. It is found that the global minima obtained for the neutral clusters correspond to the half-sandwich structure and those of the monoanionic clusters correspond to the boat-shaped structure. The neutral MB (M = Li, Na, K) can be considered as a member of the half-sandwich doped B clusters, and the geometrical pattern of anion MB (M = Li, Na, K) is a new structure that is different from other doped B clusters.

Study on the Property of Electron-Transport Layer in the Doped Formamidinium Lead Iodide Perovskite Based on DFT.

The electron-transport layer in planar perovskite solar cells plays an important role in improving photoelectric conversion efficiency. At present, the main electronic transmission materials in perovskite solar cells include TiO, ZnO, WO, ZrO, SnO, ZnO, etc. This work mainly studies the electron-transport characteristics of six different electron-transport layers in perovskite solar cells.

[Effects of enclosing on soil microbial community diversity and soil stoichiometric characteristics in a degraded alpine meadow].

Enclosing is an effective rehabilitation measure for degraded pastures that mimics natural recovery of vegetation. To examine the interaction between biotic and abiotic in lightly degraded and enclosing grasslands is helpful for a clear understanding of the structure and function of grassland ecosystem. In this study, soil microbial community and soil stoichiometric characteristics in lightly degraded and 10-year enclosing alpine meadows were studied by high-throughput sequencing and Biolog-Eco methods.

[Characteristics of soil microbes and enzyme activities in different degraded alpine meadows].

Soil microbial biomass C and N, microbial diversities and enzyme activity in 0-10 cm and 10-20 cm soil layers of different degraded grasslands (non-degradation, ND; light degradation, LD; moderate degradation, MD; sever degradation, SD; and black soil beach, ED) were measured by Biolog and other methods. The results showed that: 1) There were significant diffe-rences between 0-10 cm and 10-20 cm soil layers in soil microbial biomass, diversities and inver-tase activities in all grasslands. 2) The ratio of soil microbial biomass C to N decreased significantly with the grassland degradation.