scholarly journals Design, synthesis and applications of responsive macrocycles

2020 ◽  
Vol 3 (1) ◽  
Author(s):  
Jingjing Yu ◽  
Dawei Qi ◽  
Jianwei Li
Keyword(s):  
Dynamic Control ◽  
Selection Model ◽  
Induced Fit ◽  
Design Synthesis ◽  
Macrocyclic Molecules ◽  
Insight Into ◽  
Guest Chemistry

AbstractInspired by the lock and key principle, the development of supramolecular macrocyclic chemistry has promoted the prosperous growth of host-guest chemistry. The updated induced-fit and conformation selection model spurred the emerging research on responsive macrocycles (RMs). This review introduces RMs, covering their design, synthesis and applications. It gives readers insight into the dynamic control of macrocyclic molecules and the exploration of materials with desired functions.

scholarly journals N-Heterocycles Scaffolds as Quorum Sensing Inhibitors. Design, Synthesis, Biological and Docking Studies

2020 ◽  
Vol 21 (24) ◽  
pp. 9512
Author(s):  
Alfredo Fuentes-Gutiérrez ◽  
Everardo Curiel-Quesada ◽  
José Correa-Basurto ◽  
Alberto Martínez-Muñoz ◽  
Alicia Reyes-Arellano
Keyword(s):  
Quorum Sensing ◽  
Therapeutic Strategy ◽  
Proper Time ◽  
Docking Studies ◽  
Chromobacterium Violaceum ◽  
Quorum Sensing Inhibition ◽  
Design Synthesis ◽  
Docking Simulations ◽  
Quorum Sensing Inhibitors ◽  
Insight Into

Quorum sensing is a communication system among bacteria to sense the proper time to express their virulence factors. Quorum sensing inhibition is a therapeutic strategy to block bacterial mechanisms of virulence. The aim of this study was to synthesize and evaluate new bioisosteres of N-acyl homoserine lactones as Quorum sensing inhibitors in Chromobacterium violaceum CV026 by quantifying the specific production of violacein. Five series of compounds with different heterocyclic scaffolds were synthesized in good yields: thiazoles, 16a–c, thiazolines 17a–c, benzimidazoles 18a–c, pyridines 19a–c and imidazolines 32a–c. All 15 compounds showed activity as Quorum sensing inhibitors except 16a. Compounds 16b, 17a–c, 18a, 18c, 19c and 32b exhibited activity at concentrations of 10 µM and 100 µM, highlighting the activity of benzimidazole 18a (IC50 = 36.67 µM) and 32b (IC50 = 85.03 µM). Pyridine 19c displayed the best quorum sensing inhibition activity (IC50 = 9.66 µM). Molecular docking simulations were conducted for all test compounds on the Chromobacterium violaceum CviR protein to gain insight into the process of quorum sensing inhibition. The in-silico data reveal that all 15 the compounds have higher affinity for the protein than the native AHL ligand (1). A strong correlation was found between the theoretical and experimental results.

scholarly journals Chloroquine Urea Derivatives: Synthesis and Antitumor Activity in Vitro

2018 ◽  
Vol 68 (4) ◽  
pp. 471-483 ◽  
Author(s):  
Kristina Pavić ◽  
Zrinka Rajić ◽  
Zvonimir Mlinarić ◽  
Lidija Uzelac ◽  
Marijeta Kralj ◽  
...  
Keyword(s):  
Antitumor Activity ◽  
Anticancer Agents ◽  
Human Cancer ◽  
Human Cancer Cell ◽  
Urea Derivatives ◽  
Design Synthesis ◽  
Human Cancer Cell Lines ◽  
Lead Compounds ◽  
Insight Into

Abstract In the current paper, we describe the design, synthesis and antiproliferative screening of novel chloroquine derivatives with a quinoline core linked to a hydroxy or halogen amine through a flexible aminobutyl chain and urea spacer. Synthetic pathway leading to chloroquine urea derivatives 4-10 includes two crucial steps: i) synthesis of chloroquine benzotriazolide 3 and ii) formation of urea derivatives through the reaction of compound 3 with the corresponding amine. Testing of antiproliferative activity against four human cancer cell lines revealed that chloroquine urea derivatives 9 and 10 with aromatic moieties show activity at micromolar concentrations. Therefore, these molecules represent interesting lead compounds that might provide an insight into the design of new anticancer agents.

scholarly journals Model and Algorithm for Dependent Activity Schedule Optimization Combining with BIM

2020 ◽  
Vol 2020 ◽  
pp. 1-14
Author(s):  
Guofeng Ma ◽  
Xiaoye Liu
Keyword(s):  
Monte Carlo Simulation ◽  
Communication Strategies ◽  
Dynamic Control ◽  
Project Duration ◽  
Schedule Optimization ◽  
Activity Schedule ◽  
Dependent Activity ◽  
Before And After ◽  
Reward Amount ◽  
Insight Into

The project duration can be shortened by overlapping construction activities. However, the continuous changing of the environment tends to cause problems such as rework and the failure of the overlapping plan. In order to solve these problems, communication strategies for the overlapping of dependent activities are first introduced and optimized from a revenue perspective. We first consider the different maturities of upstream activity before and after the overlapping, the downstream sensitivity which is decided by involving communication strategies, and the learning and error-correcting ability of workers. Then, the overlap and communication strategies are decided by calculating the maximum revenue using Monte Carlo simulation and MATLAB based on overlap cost, communication cost, rework cost, and reward amount. Finally, the algorithm and BIM are combined to provide a visual overlap plan and dynamic control platform framework. This research is valuable for practitioners as it provides a dynamic overlap plan which can maximize the revenue in changing the environment and ensure the duration of the project. This research also provides researchers a new insight into combining overlap problems and BIM technology.

Surface-confined single-layer covalent organic frameworks: design, synthesis and application

2020 ◽  
Vol 49 (7) ◽  
pp. 2020-2038 ◽  
Author(s):  
Daling Cui ◽  
Dmitrii F. Perepichka ◽  
Jennifer M. MacLeod ◽  
Federico Rosei
Keyword(s):  
State Of The Art ◽  
Single Layer ◽  
The State ◽  
Covalent Organic Frameworks ◽  
Design Synthesis ◽  
Guest Chemistry

This review describes the state of the art of surface-confined single-layer covalent organic frameworks, focusing on reticular design, synthesis approaches, and exploring applications in host/guest chemistry.

Multistage Centrifugal Compressor Surge Analysis: Part I — Experimental Investigation

1998 ◽  
Author(s):  
G. L. Arnulfi ◽  
P. Giannattasio ◽  
C. Giusto ◽  
A. F. Massardo ◽  
D. Micheli ◽  
...  
Keyword(s):  
Experimental Investigation ◽  
Centrifugal Compressor ◽  
Reference Data ◽  
Dynamic Control ◽  
Rotating Stall ◽  
Operating Conditions ◽  
Multi Stage ◽  
Compressor Surge ◽  
Multistage Centrifugal Compressor ◽  
Insight Into

This paper reports an experimental investigation on centrifugal compressor surge. The compression system consists of a four-stage blower with vaned diffusers and a large plenum discharging into the atmosphere through a throttle valve. Measurements of unsteady pressure and flow rate in the plant, and of instantaneous velocity in the diffusers of the first and fourth compressor stage are performed during deep surge, at several valve settings and three different rotation speeds. Additional tests have been carried out on a different system configuration, i.e., without plenum, in order to obtain the steady-state compressor characteristics and to collect reference data on stall in surge-free conditions. In this configuration, a fully developed rotating stall was detected in the compressor diffusers, while during surge it affects only a limited part of the surge cycle. The goal of the present experimental work was to get a deeper insight into unstable operating conditions of multi-stage centrifugal compressors and to validate a theoretical model of the system instability to be used for the design of dynamic control systems.

Insight into pressure-swing distillation from azeotropic phenomenon to dynamic control

2017 ◽  
Vol 117 ◽  
pp. 318-335 ◽  
Author(s):  
Shisheng Liang ◽  
Yujuan Cao ◽  
Xingzhen Liu ◽  
Xin Li ◽  
Yongteng Zhao ◽  
...  
Keyword(s):  
Dynamic Control ◽  
Pressure Swing ◽  
Pressure Swing Distillation ◽  
Insight Into
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