DataSheet1_Oxidative Stress in Parkinson's Disease: A Systematic Review and Meta-Analysis.docx

<p>Oxidative stress has been suggested to play a key role in Parkinson's disease, but inconsistent results were found in clinical studies. This study sought to quantitatively summarize the blood and cerebrospinal fluid (CSF) oxidative stress marker data in PD patients. We performed a systematic search of PubMed and Web of Science, and studies were included if they provided data on peripheral blood and CSF oxidative stress marker concentrations in PD patients and healthy control (HC) subjects. Data were extracted by three independent investigators from 80 included studies encompassing 7,212 PD patients and 6,037 HC subjects. Of the 22 oxidative stress markers analyzed, random effects meta-analysis showed that blood concentrations of 8-OhdG, MDA, nitrite, and ferritin were increased in patients with PD compared with HC subjects. In contrast, we showed that blood levels of catalase, uric acid, glutathione, and total-cholesterol were significantly down-regulated in patients with PD when compared with controls. There were no significant differences between PD patients and HC subjects for blood, Mn, Cu, Zn, Fe, SOD, albumin, glutathione peroxidase, vitamin E, ceruloplasmin, triglycerides, lactoferrin, transferrin, LDL-cholesterol, and HDL-cholesterol. Due to the limited number of CSF studies with small sample size, this meta-analysis only showed non-significant association between CSF 8-OhdG and PD. The findings of our meta-analysis demonstrated higher blood concentrations of 8-OhdG, MDA, nitrite and ferritin, and lower blood concentrations of catalase, uric acid, glutathione and total-cholesterol in PD patients, strengthening the clinical evidence that PD is accompanied by increased oxidative stress.</p

Editorial: Novel therapeutic target and drug discovery for neurological diseases

The Research Topic “Novel Therapeutic Target and Drug Discovery for Neurological Diseases” consists of 20 articles, including 12 original research papers, seven reviews, and one systematic review, with contributions from more than 140 authors. This work aims to compile a collection of articles focused on recent advances in promising therapeutic targets and biomarkers, new pathological mechanisms, and novel therapeutic agents in order to provide valuable clues for developing new therapeutic strategies for neurological diseases </p

Densities and Viscosities of Aqueous Amino Acid Ionic Liquids [C_<i>n</i>mim][Ala](<i>n</i> = 3, 4, 5)

Amino acid ionic liquids [C_<i>n</i>mim]­[Ala] (<i>n</i> = 3, 4, 5) (1-alkyl-3-methylimidazolium alanine salt) were prepared by the neutralization method. The density and viscosity for aqueous solutions of the ionic liquids (ILs) with various molalities were measured at <i>T</i> = (288.15 to 328.15) K with an interval of 5 K. In terms of the Jones–Dole equation, the viscosity <i>B</i>-coefficients with large positive values and d<i>B</i>/d<i>T</i> < 0 were obtained, and these facts implied that the ionic liquids are water-structure-making. According to Feakins, the contribution of the solute per mole to the free energy of activation for viscous flow of the solution, Δμ₂^⧧0, or called as the standard molar activation free energy, was obtained at different temperatures. Under the constant molality of solution, Δ<i>H</i>₂^⧧0 (the activation enthalpy of the activation for viscous flow of aqueous [C_<i>n</i>mim]­[Ala] (<i>n</i> = 3, 4, 5)) is a temperature-independent constant. This implies that the activation process of the solute for viscous flow of aqueous [C_<i>n</i>mim]­[Ala] (<i>n</i> = 3, 4, 5) is an isoCoulombic reaction. A semiempirical method to estimate the viscosity of aqueous [C_<i>n</i>mim]­[Ala] (<i>n</i> = 3, 4, 5) was put forward based on Eyring’s theory, and the estimated viscosity values of the aqueous ILs are in good agreement with the corresponding experimental ones

Determination and Prediction for the Polarity of Ionic Liquids

Ionic liquids (ILs) have attracted remarkable attention as a new class of novel reaction medium and soft functional materials in the framework of Green Chemistry, and the polarity of ionic liquids is one of the primary concerns in the scientific community. Here, we introduce a new and simple scale of polarity, δ_μ, for ILs. Initially, two kinds of representative ionic liquids, {1-alkyl-3-methyllimidazolium acetate} [C_<i>n</i>mim]­[AcO] (<i>n</i> = 2,4,5,6) and {1-alkyl-2,3-dimethyimidazolium-<i>N</i>, <i>N</i>-bis­(trifluoromethyl sulfonyl)­imide} [C_<i>n</i>mmim]­[NTf₂] (<i>n</i> = 2,4) are prepared and confirmed by ¹H NMR spectroscopy and ¹³C NMR spectroscopy, respectively. Furthermore, a spectroscopic method based on solvatochromic probes is used to obtain the polarity of room temperature ILs (RTILs). In this work we mainly introduce that the scale of solvent polarity, <i>E</i>_T(30) values, is determined by means of Reichardt’s dye (30), and π* values are determined by <i>N</i>,<i>N</i>-diethyl-4-nitroaniline. Simultaneously, in terms of the values of enthalpy of vaporization, δ_μ values of these ILs are predicted. Moreover, the trend of δ_μ values of the ionic liquids with the different alkyl chains are the same as the <i>E</i>_T(30) and π* values. In addition, the new scale of polarities δ_μ of some molecular liquids are also predicted, and the results are in good agreement with relative permittivity, ε_r

Molecular Dynamics Study on the Nucleation Characteristics of Mixed Na₂SO₄/K₂SO₄ Solution in Supercritical Water

Nucleation properties of mixed Na2SO4/K2SO4 solutions were investigated by molecular dynamics simulations. In the mixed solution, ions were attracted to each other and collided to form ion pairs or small clusters, and deposition occurred after further collisions up to a certain scale. The radial distribution function, hydrogen bonding, PMF curves, and coordination number indicated that K+ had a stronger ability to attract water molecules, and in the presence of K+, water molecules in the vicinity of Na+ were decreased, and the probability of collision between Na+ and SO42– ascended. This accelerated the deposition of Na2SO4. The deposition mechanism in the mixed solution was summarized based on the simulation results. It was also found that the nucleation of Na2SO4 was more sensitive to temperature and that of K2SO4 was more sensitive to concentration in the mixed solution

Molecular Dynamics Study on the Nucleation Characteristics of Mixed Na₂SO₄/K₂SO₄ Solution in Supercritical Water

Nucleation properties of mixed Na2SO4/K2SO4 solutions were investigated by molecular dynamics simulations. In the mixed solution, ions were attracted to each other and collided to form ion pairs or small clusters, and deposition occurred after further collisions up to a certain scale. The radial distribution function, hydrogen bonding, PMF curves, and coordination number indicated that K+ had a stronger ability to attract water molecules, and in the presence of K+, water molecules in the vicinity of Na+ were decreased, and the probability of collision between Na+ and SO42– ascended. This accelerated the deposition of Na2SO4. The deposition mechanism in the mixed solution was summarized based on the simulation results. It was also found that the nucleation of Na2SO4 was more sensitive to temperature and that of K2SO4 was more sensitive to concentration in the mixed solution

Extraction Process of Dibenzothiophene with New Distillable Amine-Based Protic Ionic Liquids

In this study, two kinds of amine-based protic ionic liquids (PILs), namely, 2-[2-(dimethylamino)­ethoxy] ethanol propionate ([DMEE]­[CO₂Et]) and 3-(dimethylamino)-propanenitrile propionate ([DMAPN]­[CO₂Et]), were introduced into the desulfurization process for the first time. Some important parameters, such as stirring speed, ionic liquid (IL) dosage, initial concentration, etc., were investigated. According to the experiments, the sulfur content in the model oil can be effectively removed from 1600 to about 650 ppm by a single extraction cycle. After five cycles, the sulfur content could reach up to 19 ppm and the deep desulfurization was achieved. Most important, the recycling of PILs was realized by vacuumed distillation. The properties and extraction efficiency of PILs have no change after recycling. At the same time, the extraction mechanisms were probed. The results show that the hydrogen bond formed between the sulfur of dibenzothiophene (DBT) and the active hydrogen of PIL accounts for the high desulfurization efficiencies. This novel process would provide a new route for extraction desulfurization of diesel fuels