5-Benzyl-2-phenyl-6,8-dihydro-5H-1,2,4-triazolo[3,4-c][1,4]oxazin-2-ium hexa­fluoridophosphate

The title compound, C18H18N3O+·PF6 −, is a chiral bicyclic 1,2,4-triazolium salt which contains four rings, viz. a triazolium, a morpholine and two phenyl rings. Analysis of bond lengths shows that the N—CH—N group in the triazolium ring conforms to a typical three-center/four-electron bond (also known as the Pimentel–Rundle three-center model). The structure is completed by a disordered PF6 − counter-ion [occupancies of F atoms 0.678 (8):0.322 (8)], which inter­acts with the main mol­ecule through weak inter­molecular P—F⋯π inter­actions

2,5-Diphenyl-2,5,6,8-tetra­hydro-1,2,4-triazolo[3,4-c][1,4]oxazin-4-ium hexa­fluorido­phosphate

The title compound, C17H16N3O+·PF6 −, is a chiral bicyclic 1,2,4-triazolium salt. In the crystal packing, C—H⋯O and C—H⋯F hydrogen bonds and P—F⋯π contacts [4.078 (11)–4.163 (11) Å, involving the triazolium ring] play an important role in enhancing the stability of the crystal structure

(S)-2-(1H-Imidazol-1-yl)-3-phenyl­propanol

In the title compound, C12H14N2O, the middle C atom in the propanol chain is a chiral center and possesses an S absolute configuration, according to the synthesis. In the crystal structure, inter­molecular O—H⋯N hydrogen bonds link the mol­ecules into a chain along the b axis

Antibody Responses and the Effects of Clinical Drugs in COVID-19 Patients

The coronavirus disease 2019 (COVID-19) emerged around December 2019 and have become a global epidemic disease currently. Specific antibodies against SAS-COV-2 could be detected in COVID-19 patients’ serum or plasma, but the clinical values of these antibodies as well as the effects of clinical drugs on humoral responses have not been fully demonstrated. In this study, 112 plasma samples were collected from 36 patients diagnosed with laboratory-confirmed COVID-19 in the Fifth Affiliated Hospital of Sun Yat-sen University. The IgG and IgM antibodies against receptor binding domain (RBD) and spike protein subunit 1 (S1) of SAS-COV-2 were detected by ELISA. We found that COVID-19 patients generated specific antibodies against SARS-CoV-2 after infection, and the levels of anti-RBD IgG within 2 to 3 weeks from onset were negatively associated with the time of positive-to-negative conversion of SARS-CoV-2 nucleic acid. Patients with severe symptoms had higher levels of anti-RBD IgG in 2 to 3 weeks from onset. The use of chloroquine did not significantly influence the patients’ antibody titer but reduced C-reaction protein (CRP) level. Using anti-viral drugs (lopinavir/ritonavir or arbidol) reduced antibody titer and peripheral lymphocyte count. While glucocorticoid therapy developed lower levels of peripheral lymphocyte count and higher levels of CRP, lactate dehydrogenase (LDH), α-Hydroxybutyrate dehydrogenase(α-HBDH), total bilirubin (TBIL), direct bilirubin (DBIL). From these results, we suggested that the anti-RBD IgG may provide an early protection of host humoral responses against SAS-COV-2 infection within 2 to 3 weeks from onset, and clinical treatment with different drugs displayed distinct roles in humoral and inflammatory responses

Synthesis and Characterization of 5-Nitro-2-nitratomethyl-1,2,3,4-tetrazole: A High Nitrogen Energetic Compound with Good Oxygen Balance

The synthesis of 5-nitro-2-nitratomethyl-1,2,3,4-tetrazole (<strong>4</strong>) and its full characterization are given here. Compound <strong>4</strong> was synthesized through the nitration of 5-nitro-2-hydroxymethyl-tetrazole (<strong>3</strong>) with fuming nitric acid and acetic anhydride and its structure was characterized by MS, FT-IR, <sup>1</sup>H-NMR and <sup>13</sup>C-NMR techniques. The crystal structure of <strong>4</strong> was determined by X-ray single crystal diffraction analysis. The compound belongs to the orthorhombic system with space group <em>P</em>na2(1), and its crystal parameters were <em>a</em> <em>=</em> 2.121(8) nm, <em>b</em> <em>=</em> 0.5281(19) nm, <em>c</em> <em>=</em> 0.6246(2) nm, <em>Z</em> <em>= </em>4, <em>V </em>= 0.6995(4) nm<sup>3</sup>, <em>D</em>c = 1.805 g/cm<sup>3</sup>, <em>F</em>(000) = 384, <em>μ</em> = 0.174 mm<sup>−1</sup>. A theoretical study of <strong>4</strong> has been performed, using quantum computational density functional theory (B3LYP methods) with 6-31G* basis sets as implemented in the Gaussian 03 program suite. The obtained heat of formation (HOF) for <strong>4</strong> was 228.07 kJ·mol<sup>−1</sup>, the detonation pressure (<em>P</em>) values calculated for <strong>4</strong> was 37.92 GPa, the detonation velocity (<em>D</em>) can reach 9260 m·s<sup>−1</sup>, and the oxygen balance was zero (Q), making <strong>4</strong> a competitive energetic compound

Effect of B sites on the catalytic activities for perovskite oxides La.6Sr.4CoxFe1-xO3-δ as metal-air batteries catalysts

The effect of B sites on the catalytic activities of oxygen evolution reaction (OER) for perovskite oxides La0.6Sr0.4CoxFe1-xO3-δ (x = 0, 0.2, 0.4, 0.6, 0.8, 1, denoted as LSF, LSCF-28, LSCF-46, LSCF-64, LSCF-82 and LSC, respectively) prepared by a convenient and simple method of electrospinning technique is reported. The prepared La0.6Sr0.4CoxFe1-xO3-δ catalysts possess almost same crystal structures, similar morphologies (except for the LSC catalyst) and slightly different BET surface areas. Upon the optimization of the Co/Fe atomic ratio, the optimal LSCF-82 catalyst exhibits the OER performance with a low onset potential of 1.541 V, a small Tafel slope of 80.56 mV dec-1, a high charge-transfer rate and a large electrochemical surface area in 0.1 M KOH solution. LSCF-82 catalyst exhibits the long-term stability under the catalytic operation condition for 12 h. Such catalytic activity may mainly cause by the synergy of higher catalytic activity Co and lower catalytic activity Fe. Thus, the reasonable optimization of the transition metal composition in B sites for the perovskite oxides is in favor of the improvement of OER performance. Keywords: B sites, La0.6Sr0.4CoxFe1-xO3-δ, Perovskite oxides, Oxygen evolution reactio

Asymmetric Behaviour and Traffic Flow Characteristics of Expressway Merging Area in China

Drivers show different characteristics in traffic oscillations. These differences reflect the driver’s driving style, which is an important part of traffic uncertainty. This paper deeply explores the driving characteristics in asymmetric driving behaviour and its influence on traffic flow characteristics. The aim is to improve the understanding of safe driving. Continuous vehicle trajectories under various traffic flow conditions in an expressway merging area are obtained by aerial photography. Image processing technology is used to extract the basic parameters of traffic flow and vehicle operating characteristic data. Based on the measured data, the driver’s response mode is subdivided into multiple sub-modes. On the basis of this study, the types and distribution of traffic hysteresis and the impact of asymmetric behaviour on merging area capacity are further revealed. The results show that the response coefficient will increase for 58.72 % drivers during the process of experiencing oscillation disturbance to rebalance. The traffic hysteresis caused by driver’s asymmetric following behaviour in an expressway merging area is generally positive. This reduces the bottleneck outflow rate of the merging area by about 7 % on average. This study has important practical significance in analysing the formation mechanism of traffic congestion and adopting effective protective measures

(η2,η2-Cycloocta-1,5-diene)[2-(diphenylphosphanylmethyl)pyridine-κ2N,P]rhodium(I) tetrafluoridoborate 1,2-dichloroethane monosolvate

The title compound, [Rh(C8H12)(C18H16NP)]BF4 has been prepared as a precatalyst for applications in rhodium-catalysed additions of carbocyclic acids to terminal alkynes leading to anti-Markovnikov Z-enol esters. Here the triclinic pseudopolymorph of the title compound is presented. In contrast to the earlier reported pseudopolymorph (orthorhombic space group) [Wei et al. (2013). Chem. Eur. J. 19, 12067–12076], the triclinic polymorph contains half a molecule of dichloromethane as solvent in the asymmetric unit. The rhodium(I) atom exhibits a square-planar coordination. The estimated diffraction contribution of the disordered solvent (a half molecule of dichloroethane per asymmetric unit) was subtracted from the observed diffraction data using the SQUEEZE [Spek (2015). Acta Cryst. C71, 9–16] routine in PLATON. The given chemical formula and other crystal data do not take the solvent into account

Pro‐inflammatory cytokine IL‐6 regulates LMO4 expression in psoriatic keratinocytes via AKT/STAT3 pathway

Abstract The transcription factor LIM‐only protein 4 (LMO4) is overexpressed in the psoriatic epidermis and regulates keratinocyte proliferation and differentiation. High LMO4 expression levels are induced by interleukin‐23 (IL‐23) to activate the AKT/STAT3 signaling pathway. Interleukin‐6 (IL‐6) is mainly involved in regulating T cell functions and development in patients with psoriasis. However, whether LMO4 expression is regulated by IL‐6 remains unclear. Therefore, the purpose of this study is to explore the role and molecular mechanisms of IL‐6 in regulating LMO4 expression. The interleukin‐6 (IL‐6) levels in human plasma were determined using a chemiluminescence immunoassay system. A psoriasis‐like mouse model was established using imiquimod induction. Epidermal keratinocytes (HaCaT) were cultured in defined keratinocyte‐serum‐free medium and stimulated by IL‐6 alone or with inhibitors. The proteins of interest were detected using western blot analysis, immunofluorescence, and immunohistochemistry. The 5‐ethynyl‐2′‐deoxyuridine assay was used to detect cell proliferation. The results revealed that IL‐6 levels were markedly increased in the plasma of patients with psoriasis, compared to healthy control. The high expression of LMO4 was consistent with high levels of IL‐6, p‐AKT, and p‐STAT3 in the lesions of both psoriasis patients and imiquimod‐induced psoriasis‐like mice. IL‐6 activates the AKT/STAT3 signaling pathway, followed by LMO4 high‐expression in HaCaT cells. IL‐6 induces HaCaT proliferation and differentiation via AKT/STAT3 signaling pathway activation. We think that the high expression of LMO4 in psoriatic keratinocytes requires IL‐6 to activate the AKT/STAT3 signaling pathway and leads to epidermal keratinocytes abnormal proliferation and differentiation