High-Precision Automated Soybean Phenotypic Feature Extraction Based on Deep Learning and Computer Vision.

The automated collection of plant phenotypic information has become a trend in breeding and smart agriculture. Four YOLOv8-based models were used to segment mature soybean plants placed in a simple background in a laboratory environment, identify pods, distinguish the number of soybeans in each pod, and obtain soybean phenotypes. The YOLOv8-Repvit model yielded the most optimal recognition results, with an R2 coefficient value of 0.

Classification of Glomerular Pathology Images in Children Using Convolutional Neural Networks with Improved SE-ResNet Module.

Classification of glomerular pathology based on histology sections is the key to diagnose the type and degree of kidney diseases. To address problems in the classification of glomerular lesions in children, a deep learning-based complete glomerular classification framework was designed to detect and classify glomerular pathology. A neural network integrating Resnet and Senet (RS-INet) was proposed and a glomerular classification algorithm implemented to achieve high-precision classification of glomerular pathology.

A conformational transition in the adenylyl cyclase catalytic site yields different binding modes for ribosyl-modified and unmodified nucleotide inhibitors.

Adenylyl cyclases (ACs) are promising pharmacological targets for treating heart failure, cancer, and psychosis. Ribose-substituted nucleotides have been reported as a potent family of AC inhibitors. In silico analysis of the docked conformers of such nucleotides in AC permits assembly of a consistent, intuitive QSAR model with strong correlation relative to measured pK(i) values.

Theoretical studies on the mechanism of primary electron transfer in the photosynthetic reaction center of Rhodobacter sphaeroides.

The mechanism of the primary electron transfer (ET) process in the photosynthetic reaction center (PRC) of Rhodobacter sphaeroides has been studied with quantum chemistry method of ab initio density functional theory (DFT) (B3LYP/6-31G) based on the optimized X-ray crystallographic structure. The calculation was carried out on different structural levels. The electronic structure of pigment molecules was first studied, and then the influence of the neighboring protein was taken into account at three approximation levels: (a) the surrounding proteins were treated as a homogeneous medium with a uniform dielectric constant (SCRF); (b) both the influence of axial coordination of His to the special pair P and ABChl as, and the hydrogen bonds between related residues and P and also BPhas were included; and (c) the influence of the electronic structure of the protein subunit chains as a whole was studied.

Density functional investigation of reaction of borohydride cation BH2+ with propylene.

The reactions of BH2+ with propylene (CH2=CHCH3) to form both the adducts BC3H8+ and the H2-elimination products BC3H6+ + H2 have been investigated at the density functional B3LYP/6-311G(d,p) level of theory. It is shown that the electrophilic attacks of BH2+ towards two olefinic carbons of H2C=CHCH3 and two subsequent 1,3-H-shifts may form four low-lying BC3H8+ isomers (with the relative energies in parentheses in kcal/mol): 1 BH2+.CH2CHCH3 (0.

Density functional investigation on electron-transfer catalysis of cycloreversion of cyclobutane: radical anion mechanism.

The mechanism of cycloreversion of cyclobutane radical anion (c-C(4)H(8) (-)) has been investigated at the UB3LYP/6-31++G(d,p) level, and compared with those of neutral c-C(4)H(8) and c-C(4)H(8) (+) radical cation. Although both c-C(4)H(8) (-) and C(2)H(4) are shown to be Rydberg states unstable with respect to electron ejection, the activation barrier for the "rotating" cycloreversion of c-C(4)H(8) (-) (37.3 kcal/mol) is lower by about 25.

Theoretical study on the mechanism of the gas-phase reaction of diborane(3) anion with carbon disulfide.

The complex potential energy surface of the gas-phase reaction of HB(H)BH- with CS2 to give three low-lying products [B2H3S]- + CS, [BH2CS]- + HBS, and [BH3CS] + BS-, involving nine [B2H3CS2]- isomers and 12 transition states, has been investigated at the CCSD(T)/6-311++G(d,p)/B3LYP/6-311++G(d,p) level. Our calculations are in harmony with the recent experimental and theoretical results, and reveal some new bonding and kinetic features of this reaction system. Our theoretical results may help the further identification of the products [BH2CS]- + HBS and [BH3CS] + BS- and may provide useful information on the chemical behaviors of other electron-deficient boron hydride anions.