Structural Compactness in Hen Egg White Lysozyme Induced by Bisphenol S: A Spectroscopic and Molecular Dynamics Simulation Approach

The endocrine disrupting compound Bisphenol and its analogues are widely used in food packaging products and can cause serious health hazards. The protein, Lysozyme (Lyz), showing anti-microbial properties, is used as a “natural” food and dairy preservative. Herein, we explored the interaction between Lyz and Bisphenol S (BPS) by multi-spectroscopic and theoretical approaches. Lyz interacts with BPS through static quenching, where hydrophobic force governed the underlying interaction. Molecular docking results reveal that tryptophan plays a vital role in binding, corroborated well with near UV-CD studies. A decrease in the radius of gyration (from 1.43 nm to 1.35 nm) of Lyz substantiates the compactness of the protein conformation owing to such an interaction. This structural alteration experienced by Lyz may alter its functional properties as a food preservative. Consequently, this can degrade the quality of the food products and thereby lead to severe health issues.     

Photon Harvesting in Sunscreen‐Based Functional Nanoparticles

The ultraviolet light component in the solar spectrum is known to cause several harmful effects, such as allergy, skin ageing, and skin cancer. Thus, current research attention has been paid to the design and fundamental understanding of sunscreen‐based materials. One of the most abundantly used sunscreen molecules is Avobenzone (AB), which exhibits two tautomers. Here, we highlight the preparation of spherically shaped nanoparticles from the sunscreen molecule AB as well as from sunscreen‐molecule‐encapsulated polymer nanoparticles in aqueous media and study their fundamental photophysical properties by steady‐state and time‐resolved spectroscopy. Steady‐state studies confirm that the AB molecule is in the keto and enol forms in tetrahydrofuran, whereas the enol form is stable in the case of both AB nanoparticles and AB‐encapsulated poly(methyl methacrylate) (PMMA) nanoparticles. Thus, the keto–enol transformation of AB molecules is restricted to a nanoenvironment. An enhancement of photostability in both the nanoparticle and PMMA‐encapsulated forms under UV light irradiation is observed. The efficient excited energy transfer (60 %) from AB to porphyrin molecules opens up further prospects in potential applications as light‐harvesting systems.     

Total syntheses of schulzeines B and C

Schulzeines B (2) and C (3) were synthesized by a convergent strategy using epimeric tricyclic lactam building blocks, 4 and 5, and the C28 fatty acid side chain 6. Syntheses of tricyclic lactams (4/5) were achieved by Bischler-Napieralski reaction. Sharpless asymmetric dihydroxylation and BINAL-H-mediated asymmetric reduction of an enone was employed to prepare the key fatty acid side chain 6. The spectral as well as analytical data of 2 and 3 were in good agreement with the reported data for the natural products, thus confirming their assigned structures.     

Tumor suppressor Fhit protein interacts with protoporphyrin IX in vitro and enhances the response of HeLa cells to photodynamic therapy

Fhit, the product of tumor suppressor fragile histidine triad (FHIT) gene, exhibits antitumor activity of still largely unknown cellular background. However, it is believed that Fhit-Ap(3)A or Fhit-AMP complex might act as a second class messenger in cellular signal transduction pathway involved in cell proliferation and apoptosis. We demonstrate here for the first time that the photosensitizer, protoporphyrin IX (which is a natural precursor of heme) binds to Fhit protein and its mutants in the active site in vitro. Furthermore, PpIX inhibits the enzymatic activity of Fhit. Simultaneously, PpIX shows lower binding capacity to mutant Fhit-H96N of highly reduced hydrolase activity. In cell-based assay PpIX induced HeLa cell death in Fhit and Fhit-H96N-dependent manner which was measured by means of MTT assay. Moreover, HeLa cells stably expressing Fhit or mutant Fhit-H96N were more susceptible to protoporphyrin IX-mediated photodynamic therapy (2J/cm(2)) than parental cells.     

A quinoline based bis-urea receptor for anions: a selective receptor for hydrogen sulfate

A dipodal bis-urea receptor has been synthesized from the reaction of 8-amino quinoline and 1,4-phenylene diisocyanate in dichloromethane, and the anion binding ability of the receptor has been studied using fluoride, chloride, bromide, iodide, perchlorate, nitrate, dihydrogen phosphate and hydrogen sulfate by UV-Vis titrations in DMSO. The results show that the receptor binds each of the anions with a 1:1 stoichiometry, showing high affinity and moderate selectivity for hydrogen sulfate among the anions studied. Ab initio calculations based on density functional theory (DFT) suggest that an anion (X(-)) is bonded within the cleft formed by the two arms of the receptor through two NH...X(-) and two aromatic CH...X(-) interactions. The results from solution and theoretical studies suggest that binding is predominantly influenced by hydrogen bonding interactions and the basicity of anions.     

High frequency scattering due to a pair of time-harmonic antiplane forces on the faces of a finite interface crack between dissimilar anisotropic materials

The high-frequency elastodynamic problem involving the excitation of an interface crack of finite width lying between two dissimilar anisotropic elastic half-planes has been analyzed. The crack surface is excited by a pair of time-harmonic antiplane line sources situated at the middle of the cracked surface. The problem has first been reduced to one with the interface crack lying between two dissimilar isotropic elastic half-planes by a transformation of relevant co-ordinates and parameters. The problem has then been formulated as an extended Wiener–Hopf equation (cf. Noble, 1958) and the asymptotic solution for high-frequency has been derived. The expression for the stress intensity factor at the crack tips has been derived and the numerical results for different pairs of materials have been presented graphically.     

Expeditious synthesis of diverse spiro fused quinoxaline derivatives using magnetically separable core–shell CoFe2O4@SiO2‐SO3H nanocatalyst under ultrasonication

A magnetically separable core–shell CoFe₂O₄@SiO₂‐SO₃H nanocatalyst has been successfully exploited as a heterogeneous acid catalyst in the synthesis of diversely substituted biologically important spiro fused pyrrolo/indolo[1,2‐a]quinoxaline derivatives through the condensation of N‐(2‐aminophenyl)pyrroles/indoles and various cyclic conjugated 1,2‐diones in ethanol under ultrasonic irradiation. Room temperature synthesis, short reaction time, wide substrate scope, good to excellent yield of products and use of a magnetically separable and recyclable nanocatalyst make this method attractive and practicable.     

Diarylazooxime complex of cobalt(III): synthesis,structure, ligand redox,DFT calculations and spectral characteristics

Transition Metal Chemistry - By using a multifunctional diarylazooxime ligand LNOH 1, incorporating electron deficient azo chromophore in conjunction with a pendant π-electron-rich naphthyl...