¹³C NMR Spectroscopic Determination of Ligand Donor Strengths Using N-Heterocyclic Carbene Complexes of Palladium(II)

The electronic parameters of 25 Werner-type and organometallic ligands have been experimentally determined and ranked on a unprecedented unified ¹³C NMR scale using safe and easily obtainable complexes of the type <i>trans</i>-[PdBr₂(^<i>i</i>Pr₂-bimy)L]^<i>n−</i> (^<i>i</i>Pr₂-bimy = 1,3-diisopropylbenzimidazolin-2-ylidene; L = ligand in question) as spectroscopic probes. The methodology is based on the sensitivity of the constant ^<i>i</i>Pr₂-bimy carbene signal to the donor strengths of the varying co-ligands, which even allows detection of backbone and substituent effects more accurately than previous carbonyl-based systems. For the evaluation of N-heterocyclic carbenes (NHCs), a one-pot approach to novel hetero-bis(carbene) complexes bearing two different NHCs is introduced. Furthermore, the first complex of a strongly donating indazolin-3-ylidene ligand is presented. The molecular structures of 10 complex probes have been characterized by single-crystal X-ray diffraction analyses

DataSheet_1_Identification and validation of key molecules associated with humoral immune modulation in Parkinson’s disease based on bioinformatics.docx

ObjectiveParkinson’s disease (PD) is the most common neurodegenerative movement disorder and immune-mediated mechanism is considered to be crucial to pathogenesis. Here, we investigated the role of humoral immune regulatory molecules in the pathogenesis of PD.MethodsFirstly, we performed a series of bioinformatic analyses utilizing the expression profile of the peripheral blood mononuclear cell (PBMC) obtained from the GEO database (GSE100054, GSE49126, and GSE22491) to identify differentially expressed genes related to humoral immune regulatory mechanisms between PD and healthy controls. Subsequently, we verified the results using quantitative polymerase chain reaction (Q-PCR) and enzyme-linked immunosorbent assay (ELISA) in clinical blood specimen. Lastly, receiver operating characteristic (ROC) curve analysis was performed to determine the diagnostic effects of verified molecules.ResultsWe obtained 13 genes that were mainly associated with immune-related biological processes in PD using bioinformatic analysis. Then, we selected PPBP, PROS1, and LCN2 for further exploration. Fascinatingly, our experimental results don’t always coincide with the expression profile. PROS1 and LCN2 plasma levels were significantly higher in PD patients compared to controls (p ConclusionsIn general, PPBP, PROS1, and LCN2 were identified and validated to be related to PD and PPBP, LCN2 may potentially be biomarkers or therapeutic targets for PD. Our findings also provide some new insights on the humoral immune modulation mechanisms in PD.</p

Image_1_Identification and validation of key molecules associated with humoral immune modulation in Parkinson’s disease based on bioinformatics.tif

ObjectiveParkinson’s disease (PD) is the most common neurodegenerative movement disorder and immune-mediated mechanism is considered to be crucial to pathogenesis. Here, we investigated the role of humoral immune regulatory molecules in the pathogenesis of PD.MethodsFirstly, we performed a series of bioinformatic analyses utilizing the expression profile of the peripheral blood mononuclear cell (PBMC) obtained from the GEO database (GSE100054, GSE49126, and GSE22491) to identify differentially expressed genes related to humoral immune regulatory mechanisms between PD and healthy controls. Subsequently, we verified the results using quantitative polymerase chain reaction (Q-PCR) and enzyme-linked immunosorbent assay (ELISA) in clinical blood specimen. Lastly, receiver operating characteristic (ROC) curve analysis was performed to determine the diagnostic effects of verified molecules.ResultsWe obtained 13 genes that were mainly associated with immune-related biological processes in PD using bioinformatic analysis. Then, we selected PPBP, PROS1, and LCN2 for further exploration. Fascinatingly, our experimental results don’t always coincide with the expression profile. PROS1 and LCN2 plasma levels were significantly higher in PD patients compared to controls (p ConclusionsIn general, PPBP, PROS1, and LCN2 were identified and validated to be related to PD and PPBP, LCN2 may potentially be biomarkers or therapeutic targets for PD. Our findings also provide some new insights on the humoral immune modulation mechanisms in PD.</p

Table_2_Identification and validation of key molecules associated with humoral immune modulation in Parkinson’s disease based on bioinformatics.docx

ObjectiveParkinson’s disease (PD) is the most common neurodegenerative movement disorder and immune-mediated mechanism is considered to be crucial to pathogenesis. Here, we investigated the role of humoral immune regulatory molecules in the pathogenesis of PD.MethodsFirstly, we performed a series of bioinformatic analyses utilizing the expression profile of the peripheral blood mononuclear cell (PBMC) obtained from the GEO database (GSE100054, GSE49126, and GSE22491) to identify differentially expressed genes related to humoral immune regulatory mechanisms between PD and healthy controls. Subsequently, we verified the results using quantitative polymerase chain reaction (Q-PCR) and enzyme-linked immunosorbent assay (ELISA) in clinical blood specimen. Lastly, receiver operating characteristic (ROC) curve analysis was performed to determine the diagnostic effects of verified molecules.ResultsWe obtained 13 genes that were mainly associated with immune-related biological processes in PD using bioinformatic analysis. Then, we selected PPBP, PROS1, and LCN2 for further exploration. Fascinatingly, our experimental results don’t always coincide with the expression profile. PROS1 and LCN2 plasma levels were significantly higher in PD patients compared to controls (p ConclusionsIn general, PPBP, PROS1, and LCN2 were identified and validated to be related to PD and PPBP, LCN2 may potentially be biomarkers or therapeutic targets for PD. Our findings also provide some new insights on the humoral immune modulation mechanisms in PD.</p

Ferromagnetic Polarization: The Quantum Picture of Switching On/Off Single-Molecule Magnetism

The mixed 3d–4f pentanuclear complex (Bu₄N)­[Mn^III₄Y^III(shi)₄(OAc)₄(CH₃OH)₄]·CH₃OH·H₂O (<b>1</b>) (H₃shi = salicylhydroxamic acid) was synthesized by the direct reaction of Y­(NO₃)₃·6H₂O, Mn­(OAc)₂·4H₂O, and H₃shi. When an additional ligand, (NHBu₃)₃[W­(CN)₈]·2H₂O, was added, the mixed 3d–4f–5d hexanuclear complex (Et₄N)₅[Mn^III₄Y^III(shi)₄(OAc)₄W^V(CN)₈]­(WO₄)_0.5 (<b>2</b>) was obtained. X-ray crystallographic analysis shows that the 3d–4f complex <b>1</b> represents a 12-metallacrown-4 (12-MC-4) structure, in which the metallacrown ring [Mn–N–O]₄ connection captures one Y^III ion with four bridging acetate anions, completing the eight-coordinated environment around Y^III ion, while four methanol molecules each coordinate to the Mn^III ions on the other side of the Y^III ion. After octacyanotungstate is introduced, the [W^V(CN)₈] group substitutes for four methanol molecules of <b>1</b> to form complex <b>2</b>. Magnetic studies indicate the overall antiferromagnetic coupling present within the MC ring of complex <b>1</b>. However, interestingly, the dominant ferromagnetic coupling between Mn^III ions was observed in complex <b>2</b>. A susceptibility analysis shows that the natural spin alignments in 12-MC-4 metallacrowns are tuned from overall antiferromagnetic to dominant ferromagnetic fashions by magnetic coupling between Mn^III ions and the W^V ion. Complex <b>1</b> [Mn^III₄Y^III] retains an <i>S</i> = 0 ground state, and complex <b>2</b> [Mn^III₄Y^IIIW^V] shows obvious single-molecule magnet (SMM) behavior with an <i>S</i>_T = 11/2 ground state, respectively, before and after introduction of the octacyanotungstate group. The spin frustration geometrical structure constructed by four Mn^III ions and one W^V ion was considered as the key factor for switching on the SMM properties of the 12-MC-4 system

Additional file 1: of Metformin reduces morphine tolerance by inhibiting microglial-mediated neuroinflammation

Metformin reduces morphine tolerance by inhibiting microglial-mediated neuroinflammation. (DOCX 198 kb

Data_Sheet_1_Efficacy of transcranial direct current stimulation for improving postoperative quality of recovery in elderly patients undergoing lower limb major arthroplasty: a randomized controlled substudy.docx

BackgroundPrevious studies have demonstrated improvements in motor, behavioral, and emotional areas following transcranial direct current stimulation (tDCS), but no published studies have reported the efficacy of tDCS on postoperative recovery quality in patients undergoing lower limb major arthroplasty. We hypothesized that tDCS might improve postoperative recovery quality in elderly patients undergoing lower limb major arthroplasty.MethodsNinety-six patients (≥65 years) undergoing total hip arthroplasty (THA) or total knee arthroplasty (TKA) were randomized to receive 2 mA tDCS for 20 min active-tDCS or sham-tDCS. The primary outcome was the 15-item quality of recovery (QoR-15) score on postoperative day one (Т2). Secondary outcomes included the QoR-15 scores at the 2nd hour (T1), the 1st month (Т3), and the 3rd month (Т4) postoperatively, numeric rating scale scores, and fatigue severity scale scores.ResultsNinety-six elderly patients (mean age, 71 years; 68.7% woman) were analyzed. Higher QoR-15 scores were found in the active-tDCS group at T2 (123.0 [114.3, 127.0] vs. 109.0 [99.3, 115.3]; median difference, 13.0; 95% CI, 8.0 to 17.0; p ConclusiontDCS may help improve the quality of early recovery in elderly patients undergoing lower limb major arthroplasty.Clinical trial registrationThe trial was registered at the China Clinical Trial Center (ChiCTR2200057777, https://www.chictr.org.cn/showproj.html?proj=162744).</p