Four-Phonon Enhanced the Thermoelectric Properties of ScSX (X = Cl, Br, and I) Monolayers.

Recently, the FeOCl-type two-dimensional materials have attracted significant attention owing to their versatile applications in fields such as thermoelectricity and photocatalysis. This study aims to systematically investigate the thermoelectric properties of ScSX (X = Cl, Br, and I) monolayers by a combination of the first-principles calculations and the machine-learning interatomic potential approach. These monolayers are indirect semiconductors with band gaps of 3.22 (ScSCl), 3.27 (ScSBr), and 2.87 eV (ScSI), respectively. The lattice thermal conductivity is decreased by 25.72% (20.90%), 44.05% (40.00%), and 30.96% (34.76%) for ScSCl, ScSBr, and ScSI along the x-axis (y-axis) when the four-phonon scattering is introduced, indicating its important role in phonon transport. Anharmonic phonon scattering yields high Grüneisen parameter and scattering rate values, hence causing these low lattice thermal conductivities. Additionally, the large Seebeck coefficients and electrical conductivities of n-type doped ScSX monolayers contribute to their excellent power factors (24.69, 25.66, and 24.99 mW/K2·m for ScSCl, ScSBr and ScSI at 300 K, respectively). Based on the excellent power factor and low thermal conductivity, the maximum values of the figure of merit are calculated to be 2.68, 3.39, and 3.21 for ScSCl, ScSBr, and ScSI monolayers at 700 K, respectively. Our research provides valuable insights into the phonon thermal transport of ScSX monolayers and suggests a promising approach to address high-order anharmonicity.

Manipulations of phenylnorbornyl palladium species for multicomponent construction of a bridged polycyclic privileged scaffold.

Hexahydromethanocarbazole is a privileged scaffold in the discovery of new drugs and photoactive organic materials due to its good balance between structural complexity and minimized entropy penalty upon receptor binding. To address the difficulty of synthesizing this highly desirable bridged polycyclic scaffold, we designed a convenient multicomponent reaction cascade as intercepted Heck addition/C-H activation/C-palladacycle formation/electrophilic attack of ANP/N-palladacycle formation/Buchwald amination. A distinguishing feature of this sophisticated strategy is the successive generation of two key phenylnorbornyl palladium species to control the reaction flow towards desired products. DFT calculations further reveal the crucial roles of Cs2CO3 and 5,6-diester substitutions on the norbornene reactant in preventing multiple side-reactions. This innovative method exhibits a broad scope with good yields, and therefore will enable the construction of natural-product-like compound libraries based on hexahydromethanocarbazole.

Association between neutrophil-lymphocyte ratio and arterial stiffness in patients with acute coronary syndrome.

The aim of the present study was to assess the association between neutrophil-lymphocyte ratio (NLR) and arterial stiffness and provide a predictive index for diagnosing atherosclerosis in patients with acute coronary syndrome (ACS). We enrolled patients with ACST who were confirmed by coronary angiography. Data were collected by questionnaire and blood indexes. Brachial-ankle pulse wave velocity (baPWV) was measured using BP-203RPE III network arteriosclerosis detection equipment. Correlation analysis of traditional cardiovascular risk factors and baPWV was performed, and multivariate line regression analysis was conducted to explore the relevant factors for baPWV. A total of 210 patients were included in the final analyses according to the inclusion criteria. Patients with a high baPWV had a lower lymphocyte count than those with a low baPWV (1.2 ± 0.4 vs. 1.4 ± 0.4, P = 0.004). The NLRs of the low and high bvPWV groups were 3.1 ± 1.5 and 4.0 ± 2.1, respectively; no significant difference was observed. The results suggest that there is a positive relationship between baPWV and NLR (r = 0.403, P = 0.005) and neutrophils (r = 0.319, P = 0.016). Multivariate line regression suggested that NLR was positively associated with baPWV (B = 0.372, P = 0.000). The present results indicate that NLR is independently associated with arterial stiffness in patients with ACS. NLR, an inexpensive, easily measurable, widely available biomarker, could be an additional tool for assessing cardiovascular risk in clinical practice.

Predictive value of combining the level of lipoprotein-associated phospholipase A2 and antithrombin III for acute coronary syndrome risk.

The aim of the present study was to observe the role of lipoprotein-associated phospholipase A2 (Lp-PLA2) and antithrombin III (AT-III) in patients with acute coronary syndrome (ACS), and the combination of Global Registry of Acute Coronary Events (GRACE) score to determine the value of coronary heart disease risk stratification. A total of 309 patients admitted to the Affiliated Hospital of Xuzhou Medical University were enrolled. The patients were divided into two groups: The ACS (183 cases) and control (126 cases) groups. Blood levels of Lp-PLA2 and AT-III were measured. Based on GRACE score, the patients with ACS were divided into three subgroups: Low risk (GRACE score ≤108), middle risk (GRACE score 109-140) and high risk (GRACE score >140). The levels of Lp-PLA2 and AT-III were compared among different groups, and based on Gensini score, patients with ACS were divided into four groups by quartiles. Lp-PLA2 levels in the ACS group were significantly increased compared with the control group (P<0.05), but the AT-III levels were decreased compared with the control group (P<0.05). In the ACS group, Lp-PLA2 levels increased sequentially from the low risk to high risk subgroups (all P<0.05); compared with the low risk and middle risk subgroups, the AT-III activity levels were decreased in the high risk subgroup, and the Gensini scores were increased (all P<0.05). In the ACS group, with the increase of Gensini scores, the levels of Lp-PLA2 and AT-III exhibited increasing and decreasing trends, respectively (P<0.05). The logistic regression model demonstrated that Lp-PLA2 [odds ratio (OR) =1.077; P<0.001]; and GRACE score (OR=1.026; P=0.028) were risk factors, while AT-III was a protective factor (OR=0.958; P=0.012) for ACS. Correlation analysis indicated a positive association of Lp-PLA2 level with Gensini scores (r=0.52; P<0.01) and GRACE score (r=0.48; P<0.01), and a negative association between AT-III level and Gensini scores (r=-0.25; P<0.01) and GRACE scores (r=-0.34; P<0.01). The levels of Lp-PLA2 and AT-III exhibited predictive values in patients with ACS, and are associated with the severity of coronary artery stenosis.

Association Between ABCB1 Gene Polymorphism and Renal Function in Patients with Hypertension: A Case-Control Study.

BACKGROUND A previous study found that target organ damage in patients with hypertension was related to genetic factors. The aim of our study aim was to explore the association between the ABCB1 gene and renal function injury induced by hypertension. MATERIAL AND METHODS We used a case-control study design. Patients with hypertension were enrolled from our hospital between July 2015 and December 2015. Questionnaire data included personal information, life habits and behavior. Clinical data included blood routine examination and liver and renal function. We used restriction fragment length polymorphism methods for ABCB1 gene polymorphism detection. RESULTS There were 306 patients with hypertension included in the final analyses: 170 cases of hypertension and 136 controls. Compared to controls, the cases group had higher: drinking ratio (65.3% versus 52.9%, p=0.029), body mass index (p=0.032), systolic blood pressure (p<0.001), total cholesterol (p=0.004), blood urea nitrogen (p=0.029), creatinine (p=0.024), uric acid (p=0.011), estimated glomerular filtration rate level (p<0.001), and platelet level (p=0.003). There were no significant differences for others parameters. Genotype frequency distributions of rs1045642 were statistically significant between the two groups (χ²=24.966, p<0.001). No differences were observed for the frequency distribution of rs10808072 and rs1922242 (χ²=1.293, p=0.524; χ²=0.065, p=0.968). The multivariable logistics results found that patients with TT genotype had a higher risk for renal function injury for hypertensive patients compared to those with CC genotype (OR=3.47, 95% CI: 1.19-10.07). CONCLUSIONS Our results suggested that the rs1045642-T allele of the ABCB1 gene may be associated with increased risk for renal function injury in hypertensive patients.

Green emission and Ag(+) sensing of hydroxy double salt supported gold nanoclusters.

In this paper, a complex of Zn-containing hydroxy double salt (Zn-HDS) supported gold nanoclusters (AuNCs) has been synthesized. The formation of the complex (denoted as the AuNCs/Zn-HDS complex) has been analyzed by Transmission Electron Microscopy (TEM), IR spectroscopy and X-ray Photoelectron Spectroscopy (XPS). It is noteworthy that the AuNCs/Zn-HDS complex emits green fluorescence and the quantum yield is 7.6%. Based on the fluorescence quenching effect, the AuNCs/Zn-HDS complex has been employed for the sensitive detection of Ag(+) and the limit of detection is 2.32 nM. The mechanisms of fluorescence generation and quenching are discussed in detail.

Oxymatrine reduces neuroinflammation in rat brain: A signaling pathway.

Cerebral neuroinflammation models were established by injecting 10 µg lipopolysaccharide into the hippocampus of male Sprague-Dawley rats. The rats were treated with an intraperitoneal injection of 120, 90, or 60 mg/kg oxymatrine daily for three days prior to the lipopolysaccharide injection. Twenty-four hours after model induction, the hippocampus was analyzed by real-time quantitative PCR, and the cerebral cortex was analyzed by enzyme-linked immunosorbent assay and western blot assay. The results of the enzyme-linked immunosorbent assay and the real-time quantitative PCR showed that the secretion and mRNA expression of the pro-inflammatory cytokines interleukin-1ß and tumor necrosis factor-α were significantly decreased in the hippocampus and cerebral cortex of model rats treated with oxymatrine. Western blot assay and real-time quantitative PCR analysis indicated that toll-like receptor 4 mRNA and protein expression were significantly decreased in the groups receiving different doses of oxymatrine. Additionally, 120 and 90 mg/kg oxymatrine were shown to reduce protein levels of nuclear factor-κB p65 in the nucleus and of phosphorylated IκBα in the cytoplasm of brain cells, as detected by western blot assay. Experimental findings indicate that oxymatrine may inhibit neuroinflammation in rat brain via downregulating the expression of molecules in the toll-like receptor 4/nuclear factor-κB signaling pathway.