Iron(III) bromide catalyzed bromination of 2-tert-butylpyrene and corresponding position-dependent aryl-functionalized pyrene derivatives

The present work probes the bromination mechanism of 2-tert-butylpyrene (1), which regioselectively affords mono-, di-, tri- and tetra-bromopyrenes, by theoretical calculation and detailed experimental methods. The bromine atom may be directed to the K-region (positions 5- and 9-) instead of the more reactive 6- and 8-positions in the presence of iron powder. In this process, FeBr₃ plays a significant role to release steric hindrance or lower the activation energy of the rearrangement. The intermediate bromopyrene derivatives were isolated and confirmed by ¹H NMR spectrometry, mass spectroscopy and elemental analysis. Further evidence on substitution position originated from a series of aryl substituted pyrene derivatives, which were obtained from the corresponding bromopyrenes on reaction with 4-methoxy-phenylboronic acid by a Suzuki–Miyaura cross-coupling reaction. All position-dependent aryl-functionalized pyrene derivatives are characterized by single X-ray diffraction, ¹H/¹³C NMR, FT-IR and MS, and offered straightforward evidence to support our conclusion. Furthermore, the photophysical properties of a series of compounds were confirmed by fluorescence and absorption, as well as by fluorescence lifetime measurements

A predictive scoring system for proximal junctional kyphosis after posterior internal fixation in elderly patients with chronic osteoporotic vertebral fracture: A single-center diagnostic study

ObjectiveTo establish a predictive scoring system for proximal junctional kyphosis (PJK) after posterior internal fixation in elderly patients with chronic osteoporotic vertebral fracture (COVF).Materials and methodsThe medical records of 88 patients who were diagnosed with COVF and underwent posterior internal fixation in our hospital from January 2013 to December 2017 were retrospectively analyzed. The included patients were divided into two groups according to whether they suffered PJK after surgery, namely, the PJK group (25 cases) and non-PJK group (63 cases). The following clinical characteristics were recorded and analyzed: age, gender, body mass index (BMI), bone mineral density (BMD), smoking history, fracture segment, proximal junction angle, sagittal vertebral axis, pelvic incidence (PI)–lumbar lordosis (LL), pelvic tilt (PT), sacral slope (SS), posterior ligamentous complex (PLC) injury, upper instrumented vertebra, lower instrumented vertebra, and the number of fixed segments. The prevalence of these clinical characteristics in the PJK group was evaluated, and the scoring system was established using logistic regression analysis. The performance of the scoring system was also prospectively validated.ResultsThe predictive scoring system was established based on five clinical characteristics confirmed as significant predictors of PJK, namely, age > 70 years, BMI > 28 kg/m2, BMD < −3.5 SD, preoperative PI-LL > 20°, and PLC injury. PJK showed a significantly higher score than non-PJK (7.80 points vs. 2.83 points, t=9.556, P<0.001), and the optimal cutoff value for the scoring system was 5 points. The sensitivity and specificity of the scoring system for predicting postoperative PJK were 80.00% and 88.89%, respectively, in the derivation set and 75.00% and 80.00% in the validation set.ConclusionThe predictive scoring system was confirmed with satisfactory sensitivity and specificity in predicting PJK after posterior internal fixation in elderly COVF patients. The risk of postoperative PJK in patients with a score of 6–11 is high, while the score of 0–5 is low

cyclo-Tetra­kis{μ-2,2′-dimethyl-1,1′-[2,2-bis­(bromo­meth­yl)propane-1,3-di­yl]di(1H-benzimidazole)-κ2 N 3:N 3′}tetra­kis­[bromidocopper(I)]

The title compound, [Cu4Br4(C21H22Br2N4)4], features a macrocyclic Cu4 L 4 ring system in which each CuI atom is coordinated by one bromide ion and two N atoms from two 2,2′-dimethyl-1,1′-[2,2-bis­(bromo­meth­yl)propane-1,3-di­yl]di(1H-benzimidazole) (L) ligands in a distorted trigonal–planar geometry. The L ligands adopt either a cis or trans configuration. The asymmetric unit contains one half-mol­ecule with the center of the macrocycle located on a crystallographic center of inversion. Each bromide ion binds to a CuI atom in a terminal mode and is oriented outside the ring. The macrocycles are inter­connected into a two-dimensional network by π–π inter­actions between benzimid­azole groups from different rings [centroid–centroid distance = 3.803 (5) Å

A Node Influence Based Label Propagation Algorithm for Community Detection in Networks

Label propagation algorithm (LPA) is an extremely fast community detection method and is widely used in large scale networks. In spite of the advantages of LPA, the issue of its poor stability has not yet been well addressed. We propose a novel node influence based label propagation algorithm for community detection (NIBLPA), which improves the performance of LPA by improving the node orders of label updating and the mechanism of label choosing when more than one label is contained by the maximum number of nodes. NIBLPA can get more stable results than LPA since it avoids the complete randomness of LPA. The experimental results on both synthetic and real networks demonstrate that NIBLPA maintains the efficiency of the traditional LPA algorithm, and, at the same time, it has a superior performance to some representative methods

A controllable superconducting electromechanical oscillator with a suspended membrane

We fabricate a microscale electromechanical system, in which a suspended superconducting membrane, treated as a mechanical oscillator, capacitively couples to a superconducting microwave resonator. As the microwave driving power increases, nonmonotonic dependence of the resonance frequency of the mechanical oscillator on the driving power has been observed. We also demonstrate the optical switching of the resonance frequency of the mechanical oscillator. Theoretical models for qualitative understanding of our experimental observations are presented. Our experiment may pave the way for the application of a mechanical oscillator with its resonance frequency controlled by the electromagnetic and/or optical fields, such as a microwave-optical interface and a controllable element in a superqubit-mechanical oscillator hybrid system.Comment: 8 pages,4 figure

Surface-Based Regional Homogeneity in First-Episode, Drug-Naive Major Depression: A Resting-State fMRI Study

Background. Previous volume-based regional homogeneity (ReHo) studies neglected the intersubject variability in cortical folding patterns. Recently, surface-based ReHo was developed to reduce the intersubject variability and to increase statistical power. The present study used this novel surface-based ReHo approach to explore the brain functional activity differences between first-episode, drug-naive MDD patients and healthy controls. Methods. Thirty-three first-episode, drug-naive MDD patients and 32 healthy controls participated in structural and resting-state fMRI scans. MDD patients were rated with a 17-item Hamilton Rating Scale for Depression prior to the scan. Results. In comparison with the healthy controls, MDD patients showed reduced surface-based ReHo in the left insula. There was no increase in surface-based ReHo in MDD patients. The surface-based ReHo value in the left insula was not significantly correlated with the clinical information or the depressive scores in the MDD group. Conclusions. The decreased surface-based ReHo in the left insula in MDD may lead to the abnormal top-down cortical-limbic regulation of emotional and cognitive information. The surface-based ReHo may be a useful index to explore the pathophysiological mechanism of MDD.</p