Efficient Piezoelectric Energy Harvesting from a Discrete Hybrid Bismuth Bromide Ferroelectric Templated by Phosphonium Cation

Bismuth containing hybrid molecular ferroelectrics are receiving tremendous attention in recent years owing to their stable and non-toxic composition. However, these perovskite-like structures are primarily limited to ammonium cations. Herein, we report a new phosphonium based discrete perovskite-like hybrid ferroelectric with a formula [Me(Ph)₃P]₃[Bi₂Br₉] ( MTPBB ) and its mechanical energy harvesting capability. The Polarization-Electric field (P-E) measurements resulted in a well-defined ferroelectric hysteresis loop with a remnant polarization value of 2.1 μC cm⁻². Piezoresponse force microscopy experiments enabled visualization of the ferroelectric domain structure and evaluation of the piezoelectric strain coefficient (d₃₃) for an MTPBB single crystal and thin film sample. Furthermore, flexible devices incorporating MTPBB in polydimethylsiloxane (PDMS) matrix at various concentrations were fabricated and explored for their mechanical energy harvesting properties. The champion device with 20 wt % of MTPBB in PDMS rendered a maximum peak-to-peak open-circuit voltage of 22.9 V and a maximum power density of 7 μW cm⁻² at an optimal load of 4 MΩ. Moreover, the potential of MTPBB -based devices in low power electronics was demonstrated by storing the harvested energy in various electrolytic capacitors.     

Effectiveness of radiation processing in elimination of Campylobacter from poultry meat

Campylobacter, a common poultry intestine commensal, is a well known cause of human gastric illnesses across the globe. Consumption of contaminated poultry meat is a major cause of Campylobacter related infections. In the present study, radiation sensitivity of indigenous strains of C. jejuni and C. coli isolated from poultry was evaluated. The decimal reduction dose (D₁₀) values of different Campylobacter isolates at 0-4 °C in saline and blood broth were in the range of 0.120-0.210 kGy and 0.170-0.234 kGy, respectively. D₁₀ values in chicken meat homogenate for Campylobacter were in the range of 0.110-0.190 kGy. Chicken meat samples were inoculated with C. jejuni and exposed to gamma radiation to study the effectiveness of radiation treatment in elimination of Campylobacter. Radiation treatment with a dose of 1 kGy could achieve complete elimination of 10⁵ CFU of Campylobacter/g in poultry meat samples. No recovery of Campylobacter was observed, even after enrichment and selective plating in 1 kGy treated chicken meat samples stored at 4 °C up to 7 days. Present study shows that irradiation of poultry meat with 1 kGy can ensure safety of poultry meat.     

Deciphering the Role of Filamin B Calponin-Homology Domain in Causing the Larsen Syndrome,Boomerang Dysplasia,and Atelosteogenesis Type I Spectrum Disorders via a Computational Approach

Filamins (FLN) are a family of actin-binding proteins involved in regulating the cytoskeleton and signaling phenomenon by developing a network with F-actin and FLN-binding partners. The FLN family comprises three conserved isoforms in mammals: FLNA, FLNB, and FLNC. FLNB is a multidomain monomer protein with domains containing an actin-binding N-terminal domain (ABD 1–242), encompassing two calponin-homology domains (assigned CH1 and CH2). Primary variants in FLNB mostly occur in the domain (CH2) and surrounding the hinge-1 region. The four autosomal dominant disorders that are associated with FLNB variants are Larsen syndrome, atelosteogenesis type I (AOI), atelosteogenesis type III (AOIII), and boomerang dysplasia (BD). Despite the intense clustering of FLNB variants contributing to the LS-AO-BD disorders, the genotype-phenotype correlation is still enigmatic. In silico prediction tools and molecular dynamics simulation (MDS) approaches have offered the potential for variant classification and pathogenicity predictions. We retrieved 285 FLNB missense variants from the UniProt, ClinVar, and HGMD databases in the current study. Of these, five and 39 variants were located in the CH1 and CH2 domains, respectively. These variants were subjected to various pathogenicity and stability prediction tools, evolutionary and conservation analyses, and biophysical and physicochemical properties analyses. Molecular dynamics simulation (MDS) was performed on the three candidate variants in the CH2 domain (W148R, F161C, and L171R) that were predicted to be the most pathogenic. The MDS analysis results showed that these three variants are highly compact compared to the native protein, suggesting that they could affect the protein on the structural and functional levels. The computational approach demonstrates the differences between the FLNB mutants and the wild type in a structural and functional context. Our findings expand our knowledge on the genotype-phenotype correlation in FLNB-related LS-AO-BD disorders on the molecular level, which may pave the way for optimizing drug therapy by integrating precision medicine.     

Synthesis and Structural Proof of a Potent 5-Lipoxygenase Inhibitor

Abstract  

5-Lipoxygenase inhibitor 3-O-acetyl-9,11-dehydro-β-boswellic acid was detected in the extract of Boswellia serrata gum resulting from unstable 11-hydroxy precursor. It was reported more potent than other Boswellic acids in its inhibition of 5-Lipoxygenase. Here, we report the method of conversion of 3-acetoxy-β-boswellic acid to 3-O-acetyl-9,11-dehydro-β-boswellic acid, and the crystal structure of later. This compound crystallizes in orthorhombic space group P2₁2₁2₁ with cell parameters of a = 12.726(1) ?, b = 16.597(1) ?, c = 27.332(2) ?, α = β = γ = 90°, V = 5772.7(5) ?³, D _c = 1.143 Mg/m³, and Z = 8. The X-ray structure investigation indicates that the rings A, B, D and E are exhibit chair and the ring C adopts a distorted half chair conformation. The conformational difference of the two structures in the arrangement is due to crystal packing of 3-O-acetyl-9,11-dehydro-β-boswellic acid. The molecular packing is stabilized by C–H···O and O–H···O types of hydrogen bonding interactions.     

An efficient synthesis of isothiazolidines via sulfonium ylides formed by the reaction of thietanes and nitrene

An efficient synthesis of isothiazolidines in good yields is described.     

Charge density distribution and electrostatic moments of N‐(4‐chloro‐3‐ trifluromethyl‐phenyl)‐2‐ethoxy‐benzamide molecule at the active site of p300 enzyme: A quantum chemical and theoretical charge density study

A Charge density analysis of CTB molecule in gas phase (Form I ) and the same present at the active site (Form II ) of p300 enzyme were performed for the wave functions obtained from the Density functional method (B3LYP) with the basis set 6‐311G**. This study has been carried out to understand the nature of conformational modification, charge redistribution and the change of electrostatic moments of the CTB molecule when present at the active site of p300. The difference of charge density distribution between both forms of CTB molecule explicitly indicates the effect of intermolecular interaction on CTB molecule in the active site. The dipole moment of CTB in the gas phase (9.6 D) has been significantly decreased (4.27 D) when it present at the active site of p300; this large variation is attributed to the charge redistribution in CTB, due to the intermolecular interaction between the CTB and the receptor p300 molecule. The electrostatic potential maps differentiate the difference of electrostatic potential between the two forms. A large electronegative region is found at the vicinity of oxygen and fluorine atoms. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012     

The lift force on a charged sphere that translates and rotates in an electrolyte

The distortion of the charge cloud around a uniformly charged, dielectric, rigid sphere that translates and rotates in an unbounded binary, symmetric electrolyte at zero Reynolds number is examined. The zeta potential of the particle ζ is assumed small relative to the thermal voltage scale. It is assumed that the equilibrium structure of the cloud is slightly distorted, which requires that the Péclet numbers characterizing distortion due to particle translation, , and rotation, , are small compared to unity. Here, a is radius of the particle; D is the ionic diffusion coefficient; and , where U and Ω are the rectilinear and angular velocities of the particle, respectively. Perturbation expansions for small and are employed to calculate the nonequilibrium structure of the cloud, whence the force and torque on the particle are determined. In particular, we predict that the sphere experiences a force orthogonal to its directions of translation and rotation. This “lift” force arises from the nonlinear distortion of the cloud under the combined actions of particle translation and rotation. The lift force is given by . Here, ε is the permittivity of the electrolyte; is the Debye length; and is a negative function that decreases in magnitude with increasing . The lift force implies that an unconstrained particle would follow a curved path; an electrokinetic analog of the inertial Magnus effect. Finally, the implication of the lift force on cross‐streamline migration of an electrophoretic particle in shear flow is discussed.