Total synthesis and stereochemical assignment of burkholdac B, a depsipeptide HDAC inhibitor

Three diastereomers of burkholdac B were prepared by total synthesis, enabling the full stereochemical assignment of the natural product. It is proposed that burkholdac B is identical to thailandepsin A independently isolated by Cheng from the same strain of Burkholderia thailandensis . Burkholdac B is the most potent among depsipeptide histone deacetylase inhibitors in growth inhibition of the MCF7 breast cancer cell line with an IC(50) of 60 pM.     

MHD effects on free convective flow over moving semi-infinite vertical cylinder with temperature oscillation

Numerical solutions of magnetodynamics(MHD) effects on the free convective flow of an incompressible viscous fluid past a moving semi-infinite vertical cylinder with temperature oscillation are presented.The dimensionless,unsteady,non-linear,and coupled governing partial differential equations are solved by using an implicit finite difference method of the Crank-Nicolson type.The velocity,temperature,and concentration profiles are studied for various parameters.The local skin-friction,the average skin-fr...     

Preparation and Characterization of CuCrO2 Prepared by Solid State Reaction Method

Recently, delafossite materials have captured the interest of numerous researchers due to their unique characteristics of p-type conductivity and transparency. These materials exhibit promising potential in various applications such as photovoltaics, sensors, and transparent electronics. This paper presents a detailed account of the preparation of CuCrO₂ delafossite via the solid-state reaction method. The structural properties of the sample are analyzed using XRD which confirms rhombohedral crystal structure with R-3m space group. The optical band gap was determined to be 3.39 eV through UV-visible spectroscopy. The morphology is studied using Laser Confocal scanning optical microscopy and the estimated grain size is found to be within the range of 7 µm.     

Crosstalk between Depression and Breast Cancer via Hepatic Epoxide Metabolism: A Central Comorbidity Mechanism

Breast cancer (BC) is a serious global challenge, and depression is one of the risk factors and comorbidities of BC. Recently, the research on the comorbidity of BC and depression has focused on the dysfunction of the hypothalamic–pituitary–adrenal axis and the persistent stimulation of the inflammatory response. However, the further mechanisms for comorbidity remain unclear. Epoxide metabolism has been shown to have a regulatory function in the comorbid mechanism with scattered reports. Hence, this article reviews the role of epoxide metabolism in depression and BC. The comprehensive review discloses the imbalance in epoxide metabolism and its downstream effect shared by BC and depression, including overexpression of inflammation, upregulation of toxic diols, and disturbed lipid metabolism. These downstream effects are mainly involved in the construction of the breast malignancy microenvironment through liver regulation. This finding provides new clues on the mechanism of BC and depression comorbidity, suggesting in particular a potential relationship between the liver and BC, and provides potential evidence of comorbidity for subsequent studies on the pathological mechanism.     

New Insights into Dietary Pterostilbene: Sources,Metabolism, and Health Promotion Effects

Pterostilbene (PTS), a compound most abundantly found in blueberries, is a natural analog of resveratrol. Several plant species, such as peanuts and grapes, produce PTS. While resveratrol has been extensively studied for its antioxidant properties, recent evidence also points out the diverse therapeutic potential of PTS. Several studies have identified the robust pharmacodynamic features of PTS, including better intestinal absorption and elevated hepatic stability than resveratrol. Indeed, due to its higher bioavailability paired with reduced toxicity compared to other stilbenes, PTS has become an attractive drug candidate for the treatment of several disease conditions, including diabetes, cancer, cardiovascular disease, neurodegenerative disorders, and aging. This review article provides an extensive summary of the nutraceutical potential of PTS in various disease conditions while discussing the crucial mechanistic pathways implicated. In particular, we share insights from our studies about the Nrf2-mediated effect of PTS in diabetes and associated complications. Moreover, we elucidate the important sources of PTS and discuss in detail its pharmacokinetics and the range of formulations and routes of administration used across experimental studies and human clinical trials. Furthermore, this review also summarizes the strategies successfully used to improve dietary availability and the bio-accessibility of PTS.     

Intramolecular interactions of L‐phenylalanine: Valence ionization spectra and orbital momentum distributions of its fragment molecules

Intramolecular interactions between fragments of L ‐phenylalanine, i.e., phenyl and alaninyl, have been investigated using dual space analysis (DSA) quantum mechanically. Valence space photoelectron spectra (PES), orbital energy topology and correlation diagram, as well as orbital momentum distributions (MDs) of L ‐phenylalanine, benzene and L ‐alanine are studied using density functional theory methods. While fully resolved experimental PES of L ‐phenylalanine is not yet available, our simulated PES reproduces major features of the experimental measurement. For benzene, the simulated orbital MDs for 1e_1g and 1a_2u orbitals also agree well with those measured using electron momentum spectra. Our theoretical models are then applied to reveal intramolecular interactions of the species on an orbital base, using DSA. Valence orbitals of L ‐phenylalanine can be essentially deduced into contributions from its fragments such as phenyl and alaninyl as well as their interactions. The fragment orbitals inherit properties of their parent species in energy and shape (ie., MDs). Phenylalanine orbitals show strong bonding in the energy range of 14‐20 eV, rather than outside of this region. This study presents a competent orbital based fragments‐in‐molecules picture in the valence space, which supports the fragment molecular orbital picture and building block principle in valence space. The optimized structures of the molecules are represented using the recently developed interactive 3D‐PDF technique. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2011     

Kinetics of reaction of triethylammonium carboxylates with ethyl α‐halogenoacetate in various solvents

The kinetics of the reaction of ethyl α‐halogenoacetate with benzoic acid in the presence of triethylamine in aqueous acetone and in various solvents have been investigated. The rate constant of the reaction is 4–260 times higher in aprotic dipolar solvents than in protic solvents. The simple regression and multiple regression of log k₂ with various solvent parameters have led to the conclusion that in addition to the solvent polarity, various other solvent properties, together or individually, influence the reaction rate. © 1999 John Wiley & Sons, Inc. Int J Chem Kinet 31: 894–900, 1999     

Unsteady flow past an impulsively started vertical plate with heat and mass transfer

Finite difference solution of the transient free-convection flow of an incompressible viscous fluid past an impulsively started semi-infinite vertical plate with heat and mass transfer is presented here. The steady state velocity, temperature and concentration profiles are shown graphically. Velocity profiles are compared with exact solution. It has been observed that there is a rise in the velocity due to the presence of a mass diffusion. An increase in Schmidt number, leads to a fall in the velocity. Stability and the convergence of the finite difference scheme are established. Received on 7 January 1998