scholarly journals Nickel-Catalyzed Direct Synthesis of Aryl Olefins from Ketones and Organoboron Reagents under Neutral Conditions

2017 ◽  
Vol 139 (17) ◽  
pp. 6086-6089 ◽  
Author(s):  
Chuanhu Lei ◽  
Yong Jie Yip ◽  
Jianrong Steve Zhou
Keyword(s):  
Direct Synthesis ◽  
Aryl Olefins ◽  
Neutral Conditions

A Self-Trapping, Bipolar Viologen Bromide Electrolyte for Aqueous Redox Flow Batteries

2020 ◽  
Author(s):  
wenda wu ◽  
Jian Luo ◽  
Fang Wang ◽  
Bing Yuan ◽  
Tianbiao Liu
Keyword(s):  
Redox Flow Battery ◽  
Capacity Retention ◽  
Redox Flow Batteries ◽  
Redox Electrolyte ◽  
Charge Process ◽  
Self Trapping ◽  
Flow Batteries ◽  
Total Capacity ◽  
Neutral Conditions ◽  
Low Solubility

Aqueous organic redox flow batteries (AORFBs) have become increasing attractive for scalable energy storage. However, it remains challenging to develop high voltage, powerful AORFBs because of the lack of catholytes with high redox potential. Herein, we report methyl viologen dibromide (<b>[MV]Br<sub>2</sub></b>) as a facile self-trapping, bipolar redox electrolyte material for pH neutral redox flow battery applications. The formation of the <b>[MV](Br<sub>3</sub>)<sub>2</sub></b> complex was computationally predicted and experimentally confirmed. The low solubility <b>[MV](Br<sub>3</sub>)<sub>2</sub></b> complex in the catholyte during the battery charge process not only mitigates the crossover of charged tribromide species (Br<sub>3</sub><sup>-</sup>) and addresses the toxicity concern of volatile bromine simultaneously. A 1.53 V bipolar MV/Br AORFB delivered outstanding battery performance at pH neutral conditions, specifically, 100% total capacity retention, 133 mW/cm<sup>2</sup> power density, and 60% energy efficiency at 40 mA/cm<sup>2</sup>.

Ni(0)-Catalyzed α-Allylic Alkylation of Regular Ketones with 1,3-Dienes under pH and Redox-neutral Conditions

2019 ◽  
Author(s):  
Tiantian Chen ◽  
Yang Yang ◽  
Liyu Xie ◽  
Haijian Yang ◽  
Guangbin Dong ◽  
...  
Keyword(s):  
Oxidative Addition ◽  
Coupling Reaction ◽  
Cross Coupling ◽  
Dual Role ◽  
Allylic Alkylation ◽  
Cross Coupling Reaction ◽  
Neutral Conditions

<p>We report a Ni(0)-catalyzed cross coupling reaction between simple ketones and 1,3-dienes. A variety of a-allylic alkylation products were formed in an 1,2-addition manner with excellent regioselectivity. Water was found to significantly accelerate this transformation. A HO-Ni-H species generated from oxidative addition of Ni(0) to H<sub>2</sub>O is proposed to play a “dual role” in activating both the ketone and the diene substrate.</p>

Retrospective prioritization of multiple items during working memory storage

2019 ◽  
Author(s):  
Ashley DiPuma ◽  
Kelly Rivera ◽  
Edward Ester
Keyword(s):  
Working Memory ◽  
Memory Performance ◽  
Memory Item ◽  
Neutral Condition ◽  
Memory Storage ◽  
Single Item ◽  
Incorrect Item ◽  
Memory Precision ◽  
Neutral Conditions ◽  
Directing Attention

Working memory (WM) performance can be improved by an informative cue presented during storage. This effect, termed a retro-cue benefit, can be used to explore mechanisms of attentional prioritization in WM. Directing attention to a single item stored in memory is known to increase memory precision while decreasing the likelihood of incorrect item reports and random guesses, but it is unclear whether similar benefits manifest when participants direct attention to multiple items stored in memory. We tested this possibility by quantifying memory performance when participants were cued to prioritize one or two items stored in working memory. Consistent with prior work, cueing participants to prioritize a single memory item yielded higher recall precision, fewer swap errors, and fewer guesses relative to a neutral cue condition. Conversely, cueing participants to prioritize two memory items yielded fewer swap errors relative to a neutral condition, but no differences in recall precision or guess rates. Although swap rates were less likely during the cue-two vs. neutral conditions, planned comparisons revealed that when participants made swap errors during cue-two trials they were far more likely to confuse two prioritized stimuli than they were to confuse a prioritized stimulus vs. a non-prioritized stimulus. Our results suggest that it is possible to prioritize multiple items stored in memory, with the caveat that doing so may increase the probability of confusing prioritized items.

Structure Guided Molecular Docking Assisted Alignment Dependent 3DQSAR Study on Steroidal Aromatase Inhibitors (SAIs) as Anti-breast Cancer Agents

2019 ◽  
Vol 16 (7) ◽  
pp. 808-817 ◽  
Author(s):  
Laxmi Banjare ◽  
Sant Kumar Verma ◽  
Akhlesh Kumar Jain ◽  
Suresh Thareja
Keyword(s):  
Breast Cancer ◽  
Molecular Docking ◽  
Aromatase Inhibitors ◽  
Direct Synthesis ◽  
3D Qsar ◽  
Chemotherapeutic Agents ◽  
Modeling Tools ◽  
Data Set ◽  
Wide Range ◽  
Steroidal Aromatase Inhibitors

Background: In spite of the availability of various treatment approaches including surgery, radiotherapy, and hormonal therapy, the steroidal aromatase inhibitors (SAIs) play a significant role as chemotherapeutic agents for the treatment of estrogen-dependent breast cancer with the benefit of reduced risk of recurrence. However, due to greater toxicity and side effects associated with currently available anti-breast cancer agents, there is emergent requirement to develop target-specific AIs with safer anti-breast cancer profile. Methods: It is challenging task to design target-specific and less toxic SAIs, though the molecular modeling tools viz. molecular docking simulations and QSAR have been continuing for more than two decades for the fast and efficient designing of novel, selective, potent and safe molecules against various biological targets to fight the number of dreaded diseases/disorders. In order to design novel and selective SAIs, structure guided molecular docking assisted alignment dependent 3D-QSAR studies was performed on a data set comprises of 22 molecules bearing steroidal scaffold with wide range of aromatase inhibitory activity. Results: 3D-QSAR model developed using molecular weighted (MW) extent alignment approach showed good statistical quality and predictive ability when compared to model developed using moments of inertia (MI) alignment approach. Conclusion: The explored binding interactions and generated pharmacophoric features (steric and electrostatic) of steroidal molecules could be exploited for further design, direct synthesis and development of new potential safer SAIs, that can be effective to reduce the mortality and morbidity associated with breast cancer.

α-Ketophosphonates in the Synthesis of α-iminophosphonates

2020 ◽  
Vol 7 (2) ◽  
pp. 226-238
Author(s):  
Petro P. Ony`sko ◽  
Tetyana I. Chudakova ◽  
Vladimir V. Pirozhenko ◽  
Alexandr B. Rozhenko
Keyword(s):  
Bond Cleavage ◽  
Direct Synthesis ◽  
Equilibrium Mixture ◽  
Primary Amines ◽  
Alkyl Amines ◽  
Protic Solvents ◽  
Metallic Salts ◽  
Direct Preparation ◽  
Stage Synthesis ◽  
Aprotic Dipolar Solvent

The potentialities of condensation of α-ketophosphonates with primary amines for direct synthesis of α-iminophosphonates have been revealed. Diesters of α-ketophosphonic acids react with the primary amines by two competitive pathways: with a formation of α-iminophosphonates or a C-P bond cleavage resulting in a hydrogen phosphonate and an acylated amine. In many cases, the latter undesirable pathway is dominant, especially for more nucleophilic alkyl amines. Using metallic salts of α-ketophosphonates avoids the C-P bond cleavage, allowing direct preparation of α-phosphorylated imines by the reaction with primary amines. This strategy provides an atom economy single-stage synthesis of iminophosphonates – precursors of bio relevant phosphorus analogs of α-amino acids. Methyl sodium iminophosphonates, bearing aryl or heteryl substituents at the imino carbon atom exist in solutions at room temperature as an equilibrium mixture of Z- and E-isomers. A configuration of the C=N bond can be controlled by the solvent: changing the aprotic dipolar solvent DMSO-d6 by water or alcohols leads to the change from a predominant Z-isomer to almost an exclusive E-form. In contrast, diesters of the respective iminophosphonates exist in non-protic solvents predominantly in Econfiguration. The solvent effect on E-Z stereochemistry is demonstrated by DFT calculations.

scholarly journals A One-Pot Approach to Novel Pyridazine C-Nucleosides

Molecules ◽  
2021 ◽  
Vol 26 (8) ◽  
pp. 2341
Author(s):  
Flavio Cermola ◽  
Serena Vella ◽  
Marina DellaGreca ◽  
Angela Tuzi ◽  
Maria Rosaria Iesce
Keyword(s):  
Organic Chemistry ◽  
Research Field ◽  
Modified Nucleosides ◽  
Protecting Groups ◽  
Coupling Reactions ◽  
One Pot ◽  
Pharmacological Interest ◽  
Classical Methodology ◽  
Glycosyl Donor ◽  
Neutral Conditions

The synthesis of glycosides and modified nucleosides represents a wide research field in organic chemistry. The classical methodology is based on coupling reactions between a glycosyl donor and an acceptor. An alternative strategy for new C-nucleosides is used in this approach, which consists of modifying a pre-existent furyl aglycone. This approach is applied to obtain novel pyridazine C-nucleosides starting with 2- and 3-(ribofuranosyl)furans. It is based on singlet oxygen [4+2] cycloaddition followed by reduction and hydrazine cyclization under neutral conditions. The mild three-step one-pot procedure leads stereoselectively to novel pyridazine C-nucleosides of pharmacological interest. The use of acetyls as protecting groups provides an elegant direct route to a deprotected new pyridazine C-nucleoside.

One-pot synthesis of cyclohexylamine and N-aryl pyrroles via hydrogenation of nitroarenes over the Pd0.5Ru0.5-PVP catalyst

2021 ◽  
Author(s):  
Chandan Chaudhari ◽  
Katsutoshi Sato ◽  
Yasuyuki Ikeda ◽  
Kenji Terada ◽  
Naoya Abe ◽  
...  
Keyword(s):  
Direct Synthesis ◽  
One Pot ◽  
One Pot Synthesis

The direct synthesis of cyclohexylamine via hydrogenation of nitrobenzene over monometallic (Pd, Ru or Rh) and bimetallic (PdxRu1−x) catalysts was studied.

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