Ab Initio Calculation of Ground- and Low-Excited-State Spectroscopic Data and Transition Properties of SBr.

In this paper, potential energy curves of Λ- and Ω states of SBr are reported for the first time, and the spectrum data of some low excited bound states are obtained. The differences in the spectrum properties of main-group molecules and SBr were compared and analyzed, providing a sufficient theoretical basis for the subsequent study of main-group molecules. The avoided crossing that occurs in the Ω state is analyzed, and finally it is concluded that this phenomenon mainly occurs in the energy region between 20,000 and 40,000 cm that is relative to the minimum energy value.

Theoretical Study on the Electronic Structure and Transition Properties of Low Excited States of SeCl.

For the first time, the spectroscopy and transition properties of SeCl are systematically reported. The potential energy curves of 22 Λ - states and the corresponding 51 Ω states in the first and second dissociation channels of SeCl are calculated using the internally contracted multiconfiguration interaction and Davidson correction method. The phenomenon of avoided crossing in Ω states below 30,000 cm is discussed in detail.

CT Radiomics Model for Predicting the Ki-67 Index of Lung Cancer： An Exploratory Study.

Objective: To establish a radiomics signature and a nomogram model based on enhanced CT images to predict the Ki-67 index of lung cancer.

Methods: From January 2014 to December 2018, 282 patients with lung cancer who had undergone enhanced CT scans and Ki-67 examination within 2 weeks were retrospectively enrolled and analyzed. The clinical data of the patients were collected, such as age, sex, smoking history, maximum tumor diameter and serum tumor markers.

Imaging Characteristics of Invasive Pulmonary Fungal Infection Secondary to Hematological Diseases and Comparison before and after Treatment.

Fungal infections have become crucial factors that threaten the prognosis and survival of blood disease patients. Here, we aim to analyze the epidemiological characteristics and early and advanced CT (computed tomography) manifestations of patients with invasive pulmonary fungal infections secondary to blood system diseases. 65 hospitalized patients from October 2018 to October 2020 with invasive pulmonary fungal infections secondary to blood diseases were enrolled.

A retrospective analysis of the risk factors associated with systemic air embolism following percutaneous lung biopsy.

In the present study, the risk factors for systemic air embolism as a complication of percutaneous CT-guided lung biopsy were explored. Data from 2,026 percutaneous CT-guided lung biopsy procedures were retrospectively analyzed. All cases were divided into a concurrent air embolism group and a control group, depending on whether air embolism occurred during the puncture process.

Application of Gemstone Spectral Computed Tomography Imaging in the Characterization of Solitary Pulmonary Nodules: Preliminary Result.

Objective: This study aimed to observe the value of computed tomography (CT) spectral imaging parameters in the diagnosis of solitary pulmonary nodules, during the contrast-enhanced early phase and late phase.

Materials And Methods: This study was approved by the institutional review board and written informed consent was obtained from all patients. One hundred thirty-nine patients with solitary pulmonary nodules proved by pathology underwent double-phase enhanced CT scan using gemstone spectral imaging mode on a Discovery CT750 HD, and were divided into an active inflammatory group (43 cases), a malignant group (65 cases), and a tuberculosis group (31 cases).

Effect of lipiodol and methylene blue on the thoracoscopic preoperative positioning.

The aim of this study was to compare and analyze the site-specific accuracy of mixture of lipiodol and methylene blue (MLM) (0.6 ml, 1:5) and pure methylene blue (0.5 ml) on the rabbit lungs.

Propagation characteristics of surface acoustic waves in single-electron transport devices and the electrical measurement.

We focused on investigating the propagation characteristics of surface acoustic waves (SAWs) in SAW-based single-electron-transport (SAW/SET) devices. SAW/SET devices operating in the gigahertz frequency range were fabricated on a GaAs/Al(x)Ga(1-x)As heterostructure. The transmittance and reflection performances of SAW/SET devices were obtained via the electrical measurement.

Synthesis and antifungal activities of new pyrazole derivatives via 1,3-dipolar cycloaddition reaction.

A series of cycloadducts--pyrazoles via 1,3-dipolar cycloaddition reactions of generated nitrilimines with N-(4-chloro-2-fluorophenyl)maleimide were described. The novel compounds synthesized were characterized by (1)H NMR, MS, and elemental analysis. The fungicidal tests showed that most of the title compounds exhibit significant fungicidal activities against Corynespora cassiicola.

Synthesis, antifungal activities and 3D-QSAR study of N-(5-substituted-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamides.

A series of cyclopropanecarboxamide were prepared and tested for antifungal activity in vivo. The preliminary bioassays indicated that some compounds are comparable to the commercial fungicides. To further explore the comprehensive structure-activity relationship on the basis of fungicidal activity data, comparative molecular field analysis (CoMFA) was performed, and a statistically reliable model with good predictive power (r(2)=0.

Synthesis of some N, n'-diacylhydrazine derivatives with radical-scavenging and antifungal activity.

A series of N,N'-diacylhydrazines were prepared and their structures were confirmed by 1H NMR, MS and FTICR-MS. They were tested radical-scavenging activity in vitro. The preliminary bioassays of title compounds showed that two compounds had excellent radical-scavenging activity comparable with vitamin C, while the activity is highly relative to the substituents.

Synthesis, bioactivity and SAR study of N'-(5-substituted-1,3,4-thiadiazol-2-yl)-N-cyclopropylformyl-thioureas as ketol-acid reductoisomerase inhibitors.

Ketol-acid reductoisomerase (KARI; EC 1.1.1.