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We aimed to study the relation between plasma levels of stress-induced heat shock protein 70 (HSPA1A) with plasminogen activator inhibitor-1 (PAI-1) and highdensity lipoprotein cholesterol (HDL-C), apolipoprotein A1 (Apo-A1), and HDL-C/Apo-A1 ratio. In a matched case-control study on patients with diabetes (40 patients with albuminuria and 40 without albuminuria matched for age, sex, and body mass index), we observed that plasma levels of HSPA1A and PAI-1 are increased in patients with albuminuria (0.55±0.02 vs. 0.77±0.04 ng/ml, p value <0.001 for HSPA1A; 25.9±2 vs. 31.8±2.4 ng/ml, p value <0.05 for PAI-1). There was a significant correlation between HSPA1A and PAI-1 in diabetic patients without albuminuria (r=0.28; p value=0.04), but not in those with albuminuria (r=0.07; p value=0.63). No association was found between HSPA1A and HDL-C, between HSPA1A and Apo-A1, or between HSPA1A and HDL-C/Apo-A1 ratio. We concluded that there is a direct correlation between plasma HSPA1A and PAI-1 levels in patients with diabetes, which is lost when they develop albuminuria.

The cheletropic elimination process of N2 from (2,5-dihydro-1H-pyrrol-1-ium-1-ylidene) amide (C4H6N2) has been studied computationally using density functional theory, along with the M06-2x/aug-cc-pVTZ level of theory. The calculated energy profile has been supplemented with calculations of kinetic rate constants using transition state theory (TST) and statistical RiceRamspergerKasselMarcus (RRKM) theory. This Bonding changes along the reaction coordinate have been studied using bonding evolution theory. Electron localization function topological analysis reveals that the cheletropic elimination is characterized topologically by four successive structural stability domains (SSDs). Breaking of CN bonds (Rx=0.1992 amu 1/2 Bohr) and the other selected points separating the SSDs along the reaction coordinate occur in the vicinity of the transition state.

Background: Metabolic Syndrome (MetS) is defined by a clustering of metabolic abnormalities associated with an increased risk of cardiovascular disease and type 2 diabetes mellitus. There has been an increasing interest in the associations of genetic variants involved in diabetes and obesity in the FABP1 pathway. The relationship between the rs2241883 polymorphism of FABP1 and risk of MetS remains unclear. Objective: We aimed to examine the association between this genetic polymorphism and the presence of MetS and its constituent factors. Methods: A total of 942 participants were recruited as part of the Mashhad Stroke and Heart Atherosclerosis Disorders (MASHAD study) Cohort. Patients with MetS were identified using the International Diabetes Federation (IDF) criteria (n=406) and those without MetS (n=536) were also recruited. DNA was extracted from peripheral blood samples and used for genotyping of the FABP1 rs2241883T/C polymorphism using Tetra-Amplification Refractory Mutation System Polymerase Chain Reaction (Tetra-ARMS PCR). Genetic analysis was confirmed by gel electrophoresis and DNA sequencing. Results: Using both univariate and multivariate analyses after adjusting for age, sex and physical activity, carriers of C allele (CT/CC genotypes) in FABP1 variant were related to an increased risk of MetS, compared to non-carriers (OR: 1.38, 95%CI: 1.04,1.82, p=0.026). Conclusion: The present study shows that C allele in the FABP1 variant can be associated with an increased risk of MetS. The evaluation of these factors in a larger population may help further confirm these findings.

The kinetics and mechanisms of pyrolysis of 1,3-dihydroisothianaphthene-2,2-dioxide toward benzocyclobutene have been theoretically studied using canonical transition state theory (CTST), statistical RiceRamspergerKasselMarcus (RRKM) theory, and bonding evolution theory (BET) in conjugation with M06-2X/aug-cc-pVTZ calculations. The CTST slightly breaks down to estimate the reaction rate of the cheletropic extrusion. RRKM results indicated that the cheletropic extrusion and electrocyclic reaction require energy barriers of 171.3 and 122.2 kJ/mol to be overcome; and can be characterized respectively by 7 and 3 phases associated to the sequence of catastrophes C8H8SO2(1):7-[FF]C † C † FFF-0:C8H8+SO2 and C8H8(2):3-[F † F † ]C-0:C8H8(3). For the cheletropic extrusion, breaking of the C7S and C8S bonds begins respectively at Rx=−2.7434 amu 1/2 Bohr and Rx=−1.7458 amu 1/2 Bohr, and formation of the sulfur dioxide is completed at Rx=−0.2494 amu 1/2 Bohr. For the electrocyclic reaction, formation of new C7C8 bond occurs at Rx=1.6214 amu 1/2 Bohr from C-to C-coupling between the generated pseudoradical centers at Rx=0.1474 amu 1/2 Bohr on the terminal carbon atoms.