Chemical Bonding in [Fe(η-P)] and Related Complexes.

Quantum chemical calculations of the six valence isoelectronic complexes [FeL], [CoL], and NiL with L = η-P, η-CH using density functional theory have been carried out. The molecular structures were investigated with a variety of methods. The analysis of the electronic structure in [Fe(η-P)] shows that the bonding situation is very similar to valence isoelectronic Ni(η-CH).

Identification and Analysis of Genes Related to Testicular Size in 14-Day-Old Piglets.

The RNA-Seq technology was used to screen the key genes that affect the early development of the testes of Duroc × Landrace × Yorkshire piglets, to determine the regulatory pathway and provide reference for subsequent reproductive performance research, breeding, and other production practices. This study selected 14-day-old Duroc × Landrace × Yorkshire piglets as the trial animals. Testes from piglets with similar weights and no pathological changes were divided into small testis (ST) and large testis (LT) groups, and the RNA-Seq screening of differentially expressed genes (DEGs) was performed to find candidate genes and regulatory pathways related to early testicular development.

Stabilization of Cyclic C by Four Donor Ligands: A Theoretical Study of (L)C (L = Carbene).

Quantum chemical studies using density functional theory were carried out for the (L)C complexes with L = cAAC, DAC, NHC, SNHC, MIC1, and MIC2. The results show that the title complexes are highly stable with respect to dissociation, (L)C → C + 4L. However, their stability with respect to (L)C → 2(L)C is crucial for the assessment of their experimental viability.

Quantum criticality of a Z_{3}-symmetric spin chain with long-range interactions.

Based on large-scale density matrix renormalization group techniques, we investigate the critical behaviors of quantum three-state Potts chains with long-range interactions. Using fidelity susceptibility as an indicator, we obtain a complete phase diagram of the system. The results show that as the long-range interaction power α increases, the critical points f_{c}^{*} shift towards lower values.

Biotic interactions contribute more than environmental factors and geographic distance to biogeographic patterns of soil prokaryotic and fungal communities.

Recent studies have shown distinct soil microbial assembly patterns across taxonomic types, habitat types and regions, but little is known about which factors play a dominant role in soil microbial communities. To bridge this gap, we compared the differences in microbial diversity and community composition across two taxonomic types (prokaryotes and fungi), two habitat types (Artemisia and Poaceae) and three geographic regions in the arid ecosystem of northwest China. To determine the main driving factors shaping the prokaryotic and fungal community assembly, we carried out diverse analyses including null model, partial mantel test and variance partitioning analysis etc.

Conformal Boundary Conditions of Symmetry-Enriched Quantum Critical Spin Chains.

Some quantum critical states cannot be smoothly deformed into each other without either crossing some multicritical points or explicitly breaking certain symmetries even if they belong to the same universality class. This brings up the notion of "symmetry-enriched" quantum criticality. While recent works in the literature focused on critical states with robust degenerate edge modes, we propose that the conformal boundary condition (B.

Solar park promoted microbial nitrogen and phosphorus cycle potentials but reduced soil prokaryotic diversity and network stability in alpine desert ecosystem.

Solar park (SP) is rapidly growing throughout the planet due to the increasing demand for low-carbon energy, which represents a remarkable global land-use change with implications for the hosting ecosystems. Despite dozens of studies estimating the environmental impacts of SP based on local microclimate and vegetation, responses of soil microbial interactions and nutrient cycle potentials remain poorly understood. To bridge this gap, we investigated the diversity, community structure, complexity, and stability of co-occurrence network and soil enzyme activities of soil prokaryotes and fungi in habitats of ambient, the first, and sixth year since solar park establishment.

How to capture CO: structures and bonding of neutral and charged complexes [(NHC)-CO-(NHC)] (NHC = N-heterocyclic carbene; = 0, 1+, 2+).

We present the results of DFT calculations and a thorough bonding analysis of the neutral and charged complexes of the elusive CO species stabilized by two NHC ligands. It is shown that the thermodynamic stability of the neutral complex [(NHC)-CO-(NHC)] is due to the low-lying triplet state of [NHC-CO] (T), which is only 3.2 kcal mol higher in energy than the singlet state [NHC-CO] (S), while the triplet state of CO is 131.

Phase transitions in a three-dimensional Ising model with cluster weight studied by Monte Carlo simulations.

The loop model is an important model of statistical mechanics and has been extensively studied in two-dimensional lattices. However, it is still difficult to simulate the loop model directly in three-dimensional lattices, especially in lattices with coordination numbers larger than 3. In this paper, a cluster weight Ising model is proposed by introducing an additional cluster weight n in the partition function of the traditional Ising model.

Covalent Bonding Between Be and CO in BeOCO with a Surprisingly High Antisymmetric OCO Stretching Vibration.

The cationic complex BeOCO is produced in a solid neon matrix. Infrared absorption spectroscopic study shows that it has a very high antisymmetric OCO stretching vibration of 2418.9 cm, which is about 71 cm blue-shifted from that of free CO.

Computational Mechanistic Study of Brønsted Acid-Catalyzed Unsymmetrical 1,2,4,5-Tetrazines Synthesis.

Density functional theory (DFT) calculations were conducted to gain insight into the reaction mechanism of the Brønsted acid-catalyzed unsymmetrical 1,2,4,5-tetrazine synthesis. Various possible reaction pathways were considered, and the most favorable one can be characterized via sequential six steps, including addition of DCM to hydrazine giving complex , N-H bond activation in mediated by sulfur, AcOH-assisted substitution of with sulfur-activated hydrazine , HNO-assisted addition of nitrile to intermediate , cyclization, and intramolecular elimination leading to the final product . Among the six steps, sulfur activation of N-H bond is found to be the rate-determining step (RDS).

Characterization of the complete chloroplast genome of (Gramineae).

The complete chloroplast genome from , an important perennial bunchgrass of the Gramineae, is determined in this study. The whole chloroplast genome sequence of has been characterized by Illumina pair-end sequencing. The circular genome is 134,177 bp long, containing a large single-copy region (LSC) of 79,367 bp and a small single-copy region (SSC) of 12,510 bp, which are separated by a pair of 21,150 bp inverted repeat regions (IRs).

Phase transitions of a cluster Ising model.

We study a cluster Ising model with multispin interactions which can be exactly solved in the framework of free fermions. The model can realize topological phases with any integer winding numbers; we study the critical and multicritical behaviors of the phase transitions between these topological phases. For the ordinary critical point, we find that the critical exponent that governs the divergence of the correlation length is ν=1, and the critical exponent that describes the scaling behaviors of the order parameter is β=ΔN_{w}/8, with ΔN_{w} the difference of the winding numbers of the two phases at the two sides of the critical point.

Engineering Surface Critical Behavior of (2+1)-Dimensional O(3) Quantum Critical Points.

Surface critical behavior (SCB) refers to the singularities of physical quantities on the surface at the bulk phase transition. It is closely related to and even richer than the bulk critical behavior. In this work, we show that three types of SCB universality are realized in the dimerized Heisenberg models at the (2+1)-dimensional O(3) quantum critical points by engineering the surface configurations.

Overlap of two topological phases in the antiferromagnetic Potts model.

By controlling the vortex core energy, the three-state ferromagnetic Potts model can exhibit two types of topological paradigms, including the quasi-long-range ordered phase and the vortex lattice phase [Phys. Rev. Lett.

Development and characterization of ricinoleic acid-based sulfhydryl thiol and ethyl cellulose blended membranes.

Ethyl cellulose (EC) membranes can be combined with efficient plasticizers derived from renewable resources to form supramolecular systems. In this paper, a novel ricinoleic acid-based sulfhydryl triol (STRA) was first synthesized and used as a plasticizer for EC membranes. A supramolecular membrane of EC and STRA using van der Waals forces was designed.

Percolation of the site random-cluster model by Monte Carlo method.

We propose a site random-cluster model by introducing an additional cluster weight in the partition function of the traditional site percolation. To simulate the model on a square lattice, we combine the color-assignation and the Swendsen-Wang methods to design a highly efficient cluster algorithm with a small critical slowing-down phenomenon. To verify whether or not it is consistent with the bond random-cluster model, we measure several quantities, such as the wrapping probability Re, the percolating cluster density P∞, and the magnetic susceptibility per site χp, as well as two exponents, such as the thermal exponent yt and the fractal dimension yh of the percolating cluster.

Ising-like phase transition of an n-component Eulerian face-cubic model.

By means of Monte Carlo simulations and a finite-size scaling analysis, we find a critical line of an n-component Eulerian face-cubic model on the square lattice and the simple cubic lattice in the region v>1, where v is the bond weight. The phase transition belongs to the Ising universality class independent of n. The critical properties of the phase transition can also be captured by the percolation of the complement of the Eulerian graph.

Critical properties of the Hintermann-Merlini model.

Many critical properties of the Hintermann-Merlini model are known exactly through the mapping to the eight-vertex model. Wu [J. Phys.

Potts and percolation models on bowtie lattices.

We give the exact critical frontier of the Potts model on bowtie lattices. For the case of q = 1, the critical frontier yields the thresholds of bond percolation on these lattices, which are exactly consistent with the results given by Ziff et al. [J.

Critical points of the O(n) loop model on the martini and the 3-12 lattices.

We derive the critical line of the O(n) loop model on the martini lattice as a function of the loop weight n basing on the critical points on the honeycomb lattice conjectured by Nienhuis [Phys. Rev. Lett.

Critical frontier of the Potts and percolation models on triangular-type and kagome-type lattices. II. Numerical analysis.

In the preceding paper, one of us (F. Y. Wu) considered the Potts model and bond and site percolation on two general classes of two-dimensional lattices, the triangular-type and kagome-type lattices, and obtained closed-form expressions for the critical frontier with applications to various lattice models.

Percolation and critical O(n) loop configurations.

We study a percolation problem based on critical loop configurations of the O(n) loop model on the honeycomb lattice. We define dual clusters as groups of sites on the dual triangular lattice that are not separated by a loop, and investigate the bond-percolation properties of these dual clusters. The universal properties at the percolation threshold are argued to match those of Kasteleyn-Fortuin random clusters in the critical Potts model.