Configuration-Odor Relationships in 5β-Ambrox

The four possible A/B cis-fused diastereoisomers of Ambrox® have been synthesized and their configurations and conformations established by X-ray and NMR analysis. Only 5β-ambrox (= 1,2,3a,4,5,5β,6,7,8,9,9a,9bα-dodecahydro-3aβ,6,6,9aβ-tetramethylnaphtho[2,1-b]furan; 5 ) has an odor quality comparable to Ambrox®. The 1,3-synperiplanar/diaxial conformation of the substituents at C(8) ( = C(3a)) and C(10) (= C(9a)) has thus been confirmed to be a compulsory structure element for the particular odor.     

Targeting apoptosis via chemical design: inhibition of bid-induced cell death by small organic molecules

Bid is a key member of the Bcl-2 family proteins involved in the control of the apoptotic cascade in cells, leading to cell death. Uncontrolled cell death is associated with several human pathologies, such as neurodegenerative diseases and ischemic injuries. Therefore, Bid represents a potential yet unexplored and challenging target for strategies aimed at the development of therapeutic agents. Here we show that a multidisciplinary NMR-based approach that we named SAR by ILOEs (structure activity relationships by interligand nuclear Overhauser effect) allowed us to rationally design a series of 4-phenylsulfanyl-phenylamine derivatives that are capable of occupying a deep hydrophobic crevice on the surface of Bid. These compounds represent the first antiapoptotic small molecules targeting a Bcl-2 protein as shown by their ability to inhibit tBid-induced SMAC release, caspase-3 activation, and cell death.     

Neue Phellandren-Derivate aus dem Wurzelöl von Angelica archangelicaL

New Phellandrene Derivatives from the Root Oil of Angelica archangelica L . 2-Nitro-1,5-p-menthadiene ( 5 ), trans- and cis-6-nitro-1(7), 2-p-menthadiene ( 6 and 7 ), trans-1(7), 5-p-menthadien-2-yl acetate ( 9 ) and a formal phellandrene derivative, 7-isopropyl-5-methyl-5-bicyclo [2.2.2]octen-2-one ( 16 ), have been identified in the root oil of Angelica archangelica L . Starting from (?)-(R)-α-phellandrene ( 1 ) (R)- 5 , (4R, 6S)- 6 /(4R, 6R)- 7 , (2S, 4R)- 9 and (1R, 4R, 7R)- 16 as well as (2S, 4R)- 11 , (2R, 4R)- 12 and (2R, 4R)- 10 have been prepared.     

Green and one‐pot surface coating of iron oxide magnetic nanoparticles with natural amino acids and biocompatibility investigation

We report the synthesis of iron oxide magnetic nanoparticles (IONPs) coated with various natural amino acids (AAs) using a one‐pot reaction in an aqueous medium. Several AAs, which contained hydrophilic and hydrophobic groups, were selected to study their effects on size, morphology and toxicity of IONPs. Functionalized IONPs were characterized using X‐ray diffraction, differential scanning calorimetry, thermogravimetric analysis, Fourier transform infrared spectroscopy, and scanning and transmission electron microscopies. Furthermore, vibrating sample magnetometry analysis shows these nanoparticles have excellent magnetic properties. Cellular toxicity of IONPs was also investigated on HFF2 cell lines. The AA‐coated IONPs are non‐toxic and biocompatible. Natural AA‐coated IONPs show a potential for their development in in vitro and in vivo biomedical fields due to their non‐toxicity, good ζ‐potential and related small size and narrow size distribution.     

FeO0.7F1.3/C Nanocomposite as a High‐Capacity Cathode Material for Sodium‐Ion Batteries

Searching high capacity cathode materials is one of the most important fields of the research and development of sodium‐ion batteries (SIBs). Here, we report a FeO_0.7F_1.3/C nanocomposite synthesized via a solution process as a new cathode material for SIBs. This material exhibits a high initial discharge capacity of 496 mAh g^?1 in a sodium cell at 50 °C. From the 3^rd to 50^th cycle, the capacity fading is only 0.14% per cycle (from 388 mAh g^?1 at 3^rd the cycle to 360 mAh g^?1 at the 50^th cycle), demonstrating superior cyclability. A high energy density of 650 Wh kg^?1 is obtained at the material level. The reaction mechanism studies of FeO_0.7F_1.3/C with sodium show a hybridized mechanism of both intercalation and conversion reaction.     

Effect of tensile load on the actuation performance of pH‐sensitive hydrogels

pH‐responsive hydrogels are capable of converting chemical energy to mechanical work. To optimize their use as actuators, their response when operating against an external load must be fully characterized. Here, the actuation strain of a model pH‐sensitive hydrogel as a function of different constant loads is studied. The experimental actuation strain, produced by switching the pH from 2 to 12, decreases significantly and monotonically with increasing initial tensile load. Two models are developed to predict the actuation strain as a function of applied stress. Simple mechanical models based on the change in hydrogel modulus and cross sectional area due to the change in pH are unsatisfactory as they predict only a small change in actuation strain with increasing external stress. However, the model based on the elastic and mixing free energy functions derived from the Flory–Huggins theory is found to accurately account for the actuation strain as a function of stress. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015 , 53, 218–225     

Sono-chemical synthesis and characterization of Fe3O4@mTiO2-GO nanocarriers for dual-targeted colon drug delivery

Research on Chemical Intermediates - In this study, a kind of magnetic Fe3O4@mTiO2-GO (where m was shorted mesoporous) hybrids with core–shell nano-structure for controlled dual targeted drug...     

Copper‐Catalyzed Amidation of Primary and Secondary Alkyl Boronic Esters

The oxidative copper‐catalyzed cross‐coupling of functionalized alkyl boronic esters with primary amides is reported. Through the identification of appropriate diketimine ligands, conditions for efficient coupling of both primary and secondary alkyl boronic esters with diverse primary amides, including acetamide, have been developed.     

Generation and recombination in two-dimensional bipolar transistors

We study the effects of recombination and generation process on the operation of bipolar junction transistor based on two-dimensional materials, and in particular, graphone. Here, we use Shockley–Read–Hall model to study these process. First, we investigate the current–voltage characteristics of a graphone p–n junction considering generation and recombination process. Then, we calculate the estimated changes in current gain, cutoff frequency, and output characteristics of a graphone bipolar junction transistor designed in a recent study.     

Variational multirate integration in multi-body dynamics

For systems that contain slow and fast dynamics, variational multirate integration schemes are used. These schemes split the system into parts which are simulated using two time grids consisting of micro and macro nodes. This formulation can be extended for multi-body systems. The rigid multi-body system is described by the so called director formulation and constraints describing the joints connecting the bodies. With the Lagrange multiplier method, the constraints are introduced into the equations of motion. A way to implement the null space method into the variational multirate framework is shown and the influence on the number of unknowns is investigated. (© 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)