Rational Design of Non-Covalent Imprinted Polymers Based on the Combination of Molecular Dynamics Simulation and Quantum Mechanics Calculations.

Molecular imprinting is a promising approach for developing polymeric materials as artificial receptors. However, only a few types of molecularly imprinted polymers (MIPs) are commercially available, and most research on MIP is still in the experimental phase. The significant limitation has been a challenge for screening imprinting systems, particularly for weak functional target molecules.

Computational design and preparation of water-compatible noncovalent imprinted microspheres.

Herein, 2,4-dichlorophenoxyacetic acid (2,4-D) was used as a model template in a rational design strategy to produce water-compatible noncovalent imprinted microspheres. The proposed approach involved computational modelling for screening functional monomers and a simple method for preparing monodisperse and highly cross-linked microspheres. The fabricated non-imprinted polymer (NIP) and 2,4-d-imprinted polymer (2,4-d-MIP) were characterised, and their adsorption capabilities in an aqueous environment were evaluated.

Repeated Low-Level Red-Light Therapy for Controlling Onset and Progression of Myopia-a Review.

Repeated low-level red-light (RLRL), characterized by increased energy supply and cellular metabolism, thus enhancing metabolic repair processes, has gained persistent worldwide attention in recent years as a new novel scientific approach for therapeutic application in myopia. This therapeutic revolution led by RLRL therapy is due to significant advances in bioenergetics and photobiology, for instance, enormous progresses in photobiomodulation regulated by cytochrome oxidase, the primary photoreceptor of the light in the red to near infrared regions of the electromagnetic spectrum, as the primary mechanism of action in RLRL therapy. This oxidase is also a key mitochondrial enzyme for cellular bioenergetics, especially for the nerve cells in the retina and brain.

Prediction and validation of monoclonal antibodies separation in aqueous two-phase system using molecular dynamic simulation.

In order to predict how mAbs partition in 20% ethylene oxide/80% propylene oxide (v/v) random copolymer (EOPO)/water aqueous two-phase system (ATPS), a molecular dynamic simulation model was developed using Gromacs and then validated by experiments. The ATPS was applied with seven kinds of salt, including buffer salt and strong dissociation salt that were commonly employed in the purification of protein. NaSO was shown to have the best effects on lowering EOPO content in the aqueous phase and enhancing recovery.

Optimization of extraction tower structure and extraction conditions for lincomycin separation.

Lincomycin is a widely used aminoglycoside antibiotic. For its separation from fermentation broth in production, solvent extraction is usually applied because of its low cost and high capacity compared to other bioseparation methods. The multistage mixer-settler is a common extraction equipment in commercial production, but it occupies a large area and causes pollution.

MoS and FeO co-modify g-CN to improve the performance of photocatalytic hydrogen production.

Photocatalytic hydrogen production as a technology to solve energy and environmental problems exhibits great prospect and the exploration of new photocatalytic materials is crucial. In this research, the ternary composite catalyst of MoS/FeO/g-CN was successfully prepared by a hydrothermal method, and then a series of characterizations were conducted. The characterization results demonstrated that the composite catalyst had better photocatalytic performance and experiment results had confirmed that the MoS/FeO/g-CN composite catalyst had a higher hydrogen production rate than the single-component catalyst g-CN, which was 7.

Conversion of Calcium Citrate to Citric Acid with Compressed CO.

Citric acid is mainly produced in the fermentation industry, which needs complex processes and produces a high amount of CaSO as waste. In this study, CO has been used to convert calcium citrate to citric acid and CaCO by controlling the reaction parameters (reactants ratio, temperature, and pressure). The CaCO produced in this conversion could further be used in the fermentation industry for citric acid production.

Effective extraction of tylosin and spiramycin from fermentation broth using thermo-responsive ethylene oxide/propylene oxide aqueous two-phase systems.

Recyclable aqueous two-phase systems with thermo-responsive phase-forming materials have been employed to separate macromolecules; however, these systems have achieved very limited separation efficiency for small molecules, such as antibiotics. In this study, aqueous two-phase systems composed of the ethylene oxide/propylene oxide copolymer and water were developed to extract alkaline antibiotics from the fermentation broth. In the aqueous two-phase systems with an ethylene oxide ratio of 20 and propylene oxide ratio of 80, the partition coefficients of tylosin and spiramycin reached 16.

Dosage-dependent antimicrobial activity of DNA-histone microwebs against .

Neutrophil extracellular traps (NETs) is an antimicrobial cobweb-structured material produced by immune cells for clearance of pathogens in the body, but paradoxically associated with biofilm formation and exacerbated lung infections. To provide a better materials perspective on the pleiotropic roles played by NETs at diverse compositions/concentrations, a NETs-like material (called 'microwebs', abbreviated as μwebs) is synthesized for decoding the antimicrobial activity of NETs against in infection-relevant conditions. We show that μwebs composed of low-to-intermediate concentrations of DNA-histone complexes successfully trap and inhibit growth and biofilm formation.

Synthesis of ursodeoxycholic acid by electrochemical stereoselective reduction of 7-ketolithocholic acid in aprotic solvents.

A novel method of producing ursodeoxycholic acid was developed through electrochemical stereoselective reduction of 7-ketolithocholic acid (7K-LCA) in a undivided electrolytic cell and aprotic solvents as electrolyte. Five aprotic solvents were investigated as electrolytes, the simple structure of dimethyl sulfoxide (DMSO) and N,N-dimethylformamide (DMF) were easily attacked by chloride ions and undergo nucleophilic reactions, resulting in no target reactions. The structure of hexamethylphosphoric triamide (HMPA) and 1,3-methyl-3,4,5,6-tetrahydro-2 (1H) -pyrimidinone (DMPU) is relatively complex, but chloride ions can still attack them, and it was easier for 7K-LCA to directly undergo a reduction reaction under the action of electric current, because of the small steric hindrance of chenodeoxycholic acid (CDCA), 7K-LCA was stereoselectively reduced to CDCA.

Partition of Tea Saponin with a Novel Recyclable Thermo-pH Aqueous Two-Phase Systems.

Aqueous two-phase systems (ATPS) have the advantages of environmentally friendly, high mass transfer efficiency, and mild extraction conditions. However, it is difficult to recycle these polymers, which limits the large-scale application of ATPS. In this study, a novel recyclable ATPS was constructed with thermo-responsive polymer P and pH-responsive polymer P for the partition of tea saponin.

Synthesis of molecularly imprinted polymers based on boronate affinity for diol-containing macrolide antibiotics with hydrophobicity-balanced and pH-responsive cavities.

In this research, in order to separate and purify diol-containing macrolide antibiotics, like tylosin, from complex biological samples, molecularly imprinted polymer (MIP) based on boronate affinity for tylosin was synthesized by using precipitation polymerization method with 4-vinylphenylboronic acid (VPBA) and dimethyl aminoethyl methacrylate (DMAEMA) as pH-responsive functional monomers, and N,N'-methylene bisacrylamide (MBAA)/ ethylene glycol dimethacrylate (EGDMA) as the co-crosslinkers that balance the hydrophobicity of the MIP. The synthesized tylosin-MIP had the advantages of high adsorption capacity (120 mg/g), fast pH-responsiveness responsible for the accessibility of imprinted cavities, and high selectivity coefficient towards tylosin versus its analogues (2.8 versus spiramycin, 7.

Preemptive analgesia using selective cyclooxygenase-2 inhibitors alleviates postoperative pain in patients undergoing total knee arthroplasty: A protocol for PRISMA guided meta-analysis of randomized controlled trials.

Background: The postoperative pain associated with total knee arthroplasty (TKA) is severe for most patients. The analgesic efficacy and safety of preoperative use of selective cyclooxygenase-2 (COX-2) inhibitors for patients undergoing TKA are unclear.

Objectives: We conducted a systematic review and meta-analysis to assess whether the use of selective COX-2 inhibitors before TKA decreases the postoperative pain intensity.

Migration inhibitory factor in spinal tuberculosis: -173G/C polymorphisms, and transcript and protein levels in a northern province of China.

The aim of this study was to elucidate the possible association between migration inhibitory factor (MIF)-173G/C gene polymorphisms and transcript and plasma levels of MIF in spinal tuberculosis (TB) patients. Clinical data were collected from 254 spinal TB patients and 262 healthy controls participating in the study. The genotype of the MIF-173G/C gene was amplified by polymerase chain reaction and genotyped by DNA sequencing technology.

Study of Microbial Transglutaminase Partitioning in Thermo-pH-Responsive Aqueous Two-Phase Systems.

The recyclable aqueous two-phase systems (ATPS) responding to environmental stimuli have been widely studied in the purification of biologics. In this study, a thermo-responsive polymer P was copolymerized after optimization of monomer ratio. In addition, its lower critical solution temperature (LCST, 31 °C) and first recovery (99.

A rare case of inflammation after total hip arthroplasty due to a malpositioned prosthesis: A case report.

Rationale: Although prosthetic loosening caused by poor prosthesis positioning is common after total hip arthroplasty (THA), an inflammation caused by poor prosthesis positioning is rare. We report a case in which a THA-related inflammation was indeed caused by poor prosthesis positioning.

Patient Concerns: A 64-year-old woman was admitted to our hospital with a history of persistent hip pain that had started after she had undergone THA 4 years previously.

Computational design of a molecularly imprinted polymer compatible with an aqueous environment for solid phase extraction of chenodeoxycholic acid.

The main problem of poor water compatibility of molecularly imprinted polymers (MIPs) has been addressed in this study. A new facile and highly efficient approach was developed to obtain well-defined hydrophilic molecularly imprinted polymer microsphere with excellent specific recognition ability toward Chenodeoxycholic acid (CDCA) in crude bile. Particularly, it involved computational modeling to obtain a polymer network with high affinity for CDCA and addition of a hydrophilic crosslinker (polyethylene glycol (PEG) diacrylate∼200) to increase the hydrophilicity of the polymer surface.

Separation of transglutaminase using aqueous two-phase systems composed of two pH-response polymers.

Aqueous two-phase systems (ATPS) have been effectively used as a rapid and economical method for the separation and purification of many enzymes or proteins. However, a key problem is the recovery of the polymers forming ATPS and there are rarely available studies about ATPS for the transglutaminase. In this study, a pH-responsive ATPS has been established by two pH-responsive polymers (P and P) that can be recycled by changing the pH values, with high recovery of over 96%.

Recyclable aqueous two-phase system based on two pH-responsive copolymers and its application to porcine circovirus type 2 Cap protein purification.

Aqueous two-phase system (ATPS) has great potential in industrial applications of bio-separations and bio-reactions. However, its large-scale application is limited by recovery difficulty of phase systems. In this paper, a recyclable ATPS was prepared by two pH-responsive copolymers (P and P) and applied for purification of porcine circovirus type 2 Cap protein fermentation broth (PCV2 Cap protein).

Molecular interaction mechanisms in reverse micellar extraction of microbial transglutaminase.

Reverse micellar extraction is an efficient and economical alternative for protein purification. In this study, microbial transglutaminase (MTGase) from crude materials was purified using reverse micellar extraction, and the molecular interaction mechanism in reverse micellar extraction of MTGase was explored. By using a molecular simulation study, the interaction mechanism of forward extraction was investigated.

Metal-Chelate Affinity Precipitation with Thermo-Responsive Polymer for Purification of ε-Poly-L-Lysine.

ε-Poly-L-lysine (ε-PL) is a natural preservative for food processing industry. A thermo-responsive polymer, attached with Cu or Ni, was prepared for metal-chelate affinity precipitation for purification of ε-PL. The low critical solution temperatures (LCSTs) of these polymers were close to the room temperature (31.

Prediction of the Reverse Micellar Extraction of Papain Using Dissipative Particle Dynamics Simulation.

Reverse micellar extraction is a promising technology for large-scale protein purification, but its molecular interaction mechanisms have not been thoroughly characterized. In this study, a dissipative particle dynamics (DPD) molecular simulation method was employed to study the interactions among the surfactant, organic phase, water, and proteins on the mesoscopic scale. This study simulated the self-assembly process of the reverse micelle extraction of papain.