Association between the systemic immune-inflammation index and obesity among adults: Insights from the NHANES 2017-2018.

Background: Inflammation is an important causative factor of obesity. This study aimed to explore the possible association between the systemic immune-inflammatory index, a novel indicator of inflammation, and obesity.

Methods: Data were collected from 4395 participants of the National Health and Nutrition Examination Survey 2017-2018 aged ≥ 20 years.

Effects of ultrashort wave diathermy on skin wounds in rabbit ears.

Purpose: Ultrashort wave diathermy (USWD) is commonly used in diseases associated with osteoarticular and soft tissue injuries. However, while accelerating wound healing and preventing joint stiffness, there have been few reports on whether it leads to excessive hypertrophic scarring. The aim was to investigate the effects of different doses of USWD on hypertrophic scars.

Cross-Domain Open Set Fault Diagnosis Based on Weighted Domain Adaptation with Double Classifiers.

The application of transfer learning in fault diagnosis has been developed in recent years. It can use existing data to solve the problem of fault recognition under different working conditions. Due to the complexity of the equipment and the openness of the working environment in industrial production, the status of the equipment is changeable, and the collected signals can have new fault classes.

Dual-Channel Probe of Carbon Dots Cooperating with Lanthanide Complex Employed for Simultaneously Distinguishing and Sequentially Detecting Tetracycline and Oxytetracycline.

Tetracycline (TC) and oxytetracycline (OTC) are the most widely used broad-spectrum antimicrobial agents in tetracycline drugs, and their structures and properties are very similar, so it is a great challenge to distinguish and detect these two antibiotics with a single probe at the same time. Herein, a dual-channel fluorescence probe (SiCDs@mMIPs-cit-Eu) was developed by integrating two independent reaction sites with SiCDs-doped mesoporous silica molecular imprinting group and europium complex group into a nanomaterial. The synergistic influence of inner filter effect and "antenna effect" can be guaranteed to solve the distinction between TC and OTC.

Robust global reverse logistics network redesign for high-grade plastic wastes recycling.

The circular economy represents an alternative closed-loop production and consumption patterns instead of traditional linear take-make-waste approaches. It presents a new vision with global sustainability where plastic waste is viewed as a material that can be reused, to avoid depleting natural resources. In this context, it is essential to redesign the global reverse logistics network (GRLN) by incorporating the existing facilities across national boundaries into the integrated global recycling system.

Repair of Bile Duct Injury With Autologous Vein Graft and Stent.

Objectives: We investigated the effects of autologous vein transplant on bile duct injury repair, through observation of the hepatic and biliary system tissue morphology changes and animal survival after bile duct injury repair.

Materials And Methods: Rabbits were equally divided into groups. Group A had cholecystectomy and common bile duct resection (length of 0.

Global reverse supply chain design for solid waste recycling under uncertainties and carbon emission constraint.

The emergence of concerns over environmental protection, resource conservation as well as the development of logistics operations and manufacturing technology has led several countries to implement formal collection and recycling systems of solid waste. Such recycling system has the benefits of reducing environmental pollution, boosting the economy by creating new jobs, and generating income from trading the recyclable materials. This leads to the formation of a global reverse supply chain (GRSC) of solid waste.

Effect of lipid peroxidation on the properties of lipid bilayers: a molecular dynamics study.

Lipid peroxidation plays an important role in cell membrane damage. We investigated the effect of lipid peroxidation on the properties of 1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphatidylcholine (PLPC) lipid bilayers using molecular dynamics simulations. We focused on four main oxidation products of linoleic acid with either a hydroperoxide or an aldehyde group: 9-trans, cis-hydroperoxide linoleic acid, 13-trans, cis-hydroperoxide linoleic acid, 9-oxo-nonanoic acid, and 12-oxo-9-dodecenoic acid.

Modifying the OPLS-AA force field to improve hydration free energies for several amino acid side chains using new atomic charges and an off-plane charge model for aromatic residues.

The hydration free energies of amino acid side chains are an important determinant of processes that involve partitioning between different environments, including protein folding, protein complex formation, and protein-membrane interactions. Several recent papers have shown that calculated hydration free energies for polar and aromatic residues (Trp, His, Tyr, Asn, Gln, Asp, Glu) in several common molecular dynamics force fields differ significantly from experimentally measured values. We have attempted to improve the hydration energies for these residues by modifying the partial charges of the OPLS-AA force field based on natural population analysis of density functional theory calculations.

Opening and closing motions in the periplasmic vitamin B12 binding protein BtuF.

BtuF is the periplasmic binding protein (PBP) in the vitamin B(12) uptake system in Escherichia coli where it is associated with the ABC transporter BtuCD. When the ligand binds, PBPs generally display large conformational changes, commonly termed the Venus flytrap mechanism. BtuF belongs to a group of PBPs that, on the basis of crystal structures, does not appear to display such behavior.

Membrane protein simulations with a united-atom lipid and all-atom protein model: lipid-protein interactions, side chain transfer free energies and model proteins.

We have reparameterized the dihedral parameters in a commonly used united-atom lipid force field so that they can be used with the all-atom OPLS force field for proteins implemented in the molecular dynamics simulation software GROMACS. Simulations with this new combination give stable trajectories and sensible behaviour of both lipids and protein. We have calculated the free energy of transfer of amino acid side chains between water and 'lipid-cyclohexane', made of lipid force field methylene groups, as a hydrophobic mimic of the membrane interior, for both the OPLS-AA and a modified OPLS-AA force field which gives better hydration free energies under simulation conditions close to those preferred for the lipid force field.

Electronic structures of electron-rich octahedrally condensed transition-metal chalcogenide clusters.

The electronic structures of some electron-rich octahedrally condensed transition-metal chalcogenide clusters are analyzed with the aid of extended Hückel and density functional molecular orbital calculations. A simple orbital approach is developed to analyze the electron counts of these clusters, which do not obey any existing electron-counting rules. Different electron counts are allowed, depending upon the nature of the metal.

Unusual Five-Center, Four-Electron Bonding in a Rhodium-Bismuth Complex with Pentagonal-Bipyramidal Geometry.

A better understanding of the chemical bond in general is gained from the electronic structure of the molecular complex [{RhBi }Br ]. The interactions in the central Bi ring can be interpreted as an unusual five-center, four-electron bond based on ab initio calculations and group theory. Of the linear combinations of five Bi p orbitals two of the molecular orbitals are binding (depicted in the sketch).

Theoretical Study of Metal-Tetrahydroborato Ligand Interactions in [Y(THF)(4)(BH(4))(2)](+).

Ab initio calculations for the [Y(H(2)O)(4)(BH(4))(2)](+) complex, a model of [Y(THF)(4)(BH(4))(2)](+), have been carried out to study the metal-BH(4)(-) ligand interactions. Our calculations for various isomers with different BH(4)(-) coordination modes allow us to explore the electronic and electrostatic interactions in details. It is found that both electronic and electrostatic effects are of almost equal importance.