Luminescence property of poly(1,3-bis(phenyl-1,3,4-oxadiazole))s containing polar groups in the main chain

Photoluminescence properties of a new series of soluble 1,3-bis(phenyl-1,3,4-oxadiazole)s bearing polar groups in the main chain like -NO₂, −OH, −CH₃ and -Cl have been studied. The photoluminescence spectra show significant shift in the emission wavelengths in solid as well as in solution depending on the groups attached in the main chain, both redshift (electron withdrawing group) and blueshift (electron donating group) and change in the intensity of the emissive spectra as compared with those of the simple polyoxadiazoles at ∼300 nm. Quantum yield measurement with reference to anthracene indicates increase in the quantum efficiency many folds with decrease in concentration. The polymers are found to be thermally stable up to 350-400 °C and their glass transition temperature ranges between 100 and 150 °C.     

A Novel Approach to Unraveling the Apoptotic Potential of Rutin (Bioflavonoid) via Targeting Jab1 in Cervical Cancer Cells

Rutin has been well recognized for possessing numerous pharmacological and biological activities in several human cancer cells. This research has addressed the inhibitory potential of rutin against the Jab1 oncogene in SiHa cancer cells, which is known to inactivate various tumor suppressor proteins including p53 and p27. Further, the inhibitory efficacy of rutin via Jab1 expression modulation in cervical cancer has not been yet elucidated. Hence, we hypothesized that rutin could exhibit strong inhibitory efficacy against Jab1 and, thereby, induce significant growth arrest in SiHa cancer cells in a dose-dependent manner. In our study, the cytotoxic efficacy of rutin on the proliferation of a cervical cancer cell line (SiHa) was exhibited using MTT and LDH assays. The correlation between rutin and Jab1 mRNA expression was assessed by RT-PCR analysis and the associated events (a mechanism) with this downregulation were then explored via performing ROS assay, DAPI analysis, and expression analysis of apoptosis-associated signaling molecules such as Bax, Bcl-2, and Caspase-3 and -9 using qRT-PCR analysis. Results exhibit that rutin produces anticancer effects via inducing modulation in the expression of oncogenes as well as tumor suppressor genes. Further apoptosis induction, caspase activation, and ROS generation in rutin-treated SiHa cancer cells explain the cascade of events associated with Jab1 downregulation in SiHa cancer cells. Additionally, apoptosis induction was further confirmed by the FITC-Annexin V/PI double staining method. Altogether, our research supports the feasibility of developing rutin as one of the potent drug candidates in cervical cancer management via targeting one such crucial oncogene associated with cervical cancer progression.     

Synthesis and characterization of some novel bis‐thiazoles

The bis‐thiosemicarbazone derivative 3 was prepared and reacted with N‐aryl‐2‐oxopropane hydrazonoyl chloride 4a‐g and ethyl (N‐arylhydrazono)chloroacetate 7a‐e in absolute ethanol in the presence of triethylamine at reflux afforded a new series of thiazoles 6a‐g and 9a‐e , respectively. Also, thiosemicarbazone derivative 3 was reacted with N′‐phenylbenzohydrazonoyl chloride 10 to give the respective bis‐thiadiazole derivative 12 . Moreover, the reaction of 3 with a number of haloketones and haloesters furnished the respective bis‐thiazole derivatives 14 , 16 , 18 , and 20 . The mechanisms that account for formation of products 6 , 9 , and 12 were discussed. Also, the molecular structure of the synthesized compounds was illustrated by spectroscopic and elemental analysis.     

A hybrid wrapper–filter approach to detect the source(s) of out-of-control signals in multivariate manufacturing process

With modern data-acquisition equipment and on-line computers used during production, it is now common to monitor several correlated quality characteristics simultaneously in multivariate processes. Multivariate control charts (MCC) are important tools for monitoring multivariate processes. One difficulty encountered with multivariate control charts is the identification of the variable or group of variables that cause an out-of-control signal. Expert knowledge either in combination with wrapper-based supervised classifier or a pre-filter with wrapper are the standard approaches to detect the sources of out-of-control signal. However gathering expert knowledge in source identification is costly and may introduce human error. Individual univariate control charts (UCC) and decomposition of T²$T^2$ statistics are also used in many cases simultaneously to identify the sources, but these either ignore the correlations between the sources or may take more time with the increase of dimensions. The aim of this paper is to develop a source identification approach that does not need any expert-knowledge and can detect out-of-control signal in less computational complexity. We propose, a hybrid wrapper–filter based source identification approach that hybridizes a Mutual Information (MI) based Maximum Relevance (MR) filter ranking heuristic with an Artificial Neural Network (ANN) based wrapper. The Artificial Neural Network Input Gain Measurement Approximation (ANNIGMA) has been combined with MR (MR-ANNIGMA) to utilize the knowledge about the intrinsic pattern of the quality characteristics computed by the filter for directing the wrapper search process. To compute optimal ANNIGMA score, we also propose a Global MR-ANNIGMA using non-functional relationship between variables which is independent of the derivative of the objective function and has a potential to overcome the local optimization problem of ANN training. The novelty of the proposed approaches is that they combine the advantages of both filter and wrapper approaches and do not require any expert knowledge about the sources of the out-of-control signals. Heuristic score based subset generation process also reduces the search space into polynomial growth which in turns reduces computational time. The proposed approaches were tested by exhaustive experiments using both simulated and real manufacturing data and compared to existing methods including independent filter, wrapper and Multivariate EWMA (MEWMA) methods. The results indicate that the proposed approaches can identify the sources of out-of-control signals more accurately than existing approaches.     

Damage detection in membrane structures using non-contact laser excitation and wavelet transformation

In this paper, a vibration testing and health monitoring system based on an impulse response excited by laser is proposed to detect damage in membrane structures. A high power Nd: YAG pulse laser is used to supply an ideal impulse to a membrane structure by generating shock waves via laser-induced breakdown in air. A health monitoring apparatus is developed with this vibration testing system and a damage detecting algorithm which only requires the vibration mode shape of the damaged membrane. Artificial damage is induced in membrane structure by cutting and tearing the membrane. The vibration mode shapes of the membrane structure extracted from vibration testing by using the laser-induced breakdown and laser Doppler vibrometer are then analyzed by 2-D continuous wavelet transformation. The location of damage is determined by the dominant peak of the wavelet coefficient which can be seen clearly by applying a boundary treatment and the concept of an iso-surface to the 2-D wavelet coefficient. The applicability of the present approach is verified by finite element analysis and experimental results, demonstrating the ability of the method to detect and identify the positions of damage induced on the membrane structure.     

Structural,Electronic, Reactivity,and Conformational Features of 2,5,5-Trimethyl-1,3,2-diheterophosphinane-2-sulfide,and Its Derivatives: DFT,MEP, and NBO Calculations

In this study, we used density functional theory (DFT) and natural bond orbital (NBO) analysis to determine the structural, electronic, reactivity, and conformational features of 2,5,5-trimethyl-1,3,2-di-heteroatom (X) phosphinane-2-sulfide derivatives (X = O (compound 1), S (compound 2), and Se (compound 3)). We discovered that the features improve dramatically at 6-31G** and B3LYP/6-311+G** levels. The level of theory for the molecular structure was optimized first, followed by the frontier molecular orbital theory development to assess molecular stability and reactivity. Molecular orbital calculations, such as the HOMO–LUMO energy gap and the mapping of molecular electrostatic potential surfaces (MEP), were performed similarly to DFT calculations. In addition, the electrostatic potential of the molecule was used to map the electron density on a surface. In addition to revealing molecules’ size and shape distribution, this study also shows the sites on the surface where molecules are most chemically reactive.