scholarly journals Recent Progress in Fluorescent Probes for Adenosine Triphosphate Based on Small Organic Molecules

2019 ◽  
Vol 39 (11) ◽  
pp. 3051
Author(s):  
Jidong Zhang ◽  
Jun Zhang ◽  
Zhan Yan ◽  
Juanping Xie
Keyword(s):  
Adenosine Triphosphate ◽  
Fluorescent Probes ◽  
Recent Progress ◽  
Organic Molecules ◽  
Small Organic Molecules

scholarly journals Recent Progress in Fluorescent Probes for Zn2+/Cd2+Based on Small Organic Molecules

2012 ◽  
Vol 32 (10) ◽  
pp. 1803 ◽  
Author(s):  
Jia Jia ◽  
Xi Tang ◽  
Yingfang He ◽  
Mengyu Zhang ◽  
Guowen Xing
Keyword(s):  
Fluorescent Probes ◽  
Recent Progress ◽  
Organic Molecules ◽  
Small Organic Molecules

scholarly journals Development of endogenous enzyme-responsive nanomaterials for theranostics

2018 ◽  
Vol 47 (15) ◽  
pp. 5554-5573 ◽  
Author(s):  
Jing Mu ◽  
Jing Lin ◽  
Peng Huang ◽  
Xiaoyuan Chen
Keyword(s):  
Hybrid Materials ◽  
Recent Progress ◽  
Organic Molecules ◽  
Building Blocks ◽  
Small Organic Molecules ◽  
Organic Hybrid

This review summarizes the recent progress of endogenous enzyme-responsive nanomaterials based on different building blocks such as polymers, liposomes, small organic molecules, or inorganic/organic hybrid materials for theranostics.

Fluorescent Carbon Dots and their Applications in Sensing of Small Organic Molecules

2021 ◽  
Vol 17 ◽  
Author(s):  
Sakib Hussain Laghari ◽  
Najma Memon ◽  
Muhammad Yar Khuhawer ◽  
Taj Muhammad Jahangir
Keyword(s):  
Small Molecules ◽  
Fluorescent Probes ◽  
Carbon Dots ◽  
Organic Molecules ◽  
Fluorescent Properties ◽  
Small Organic Molecules ◽  
Uv Visible ◽  
Size Of Particles ◽  
Fluorescent Carbon Dots ◽  
Fluorescent Carbon

Background: Fluorescence-based sensing is considered highly sensitive and fluorescent probes with improved properties are always desired. Fluorescent carbon dots (CDs) are newly emerging quasi-spherical nanoparticles of less than 10 nm in size and belong to the carbon nano-material’s family. CDs have great potential as fluorescent probes and currently are under open deliberation by the researchers due to their striking properties such as low environmental hazard, high selectivity, greater sensitivity, good biocompatibility, tunable fluorescent properties and excitation dependent multicolor emission behavior. Introduction: This review demonstrates various available methods for fabrication of fluorescent CDs, capping of CDs and characterization with various techniques including UV-visible, FT-IR, and TEM. Analytical applications using CDs for the sensing of small organic molecules, specifically nitroaromatic compounds in the environmental samples are complied. Methods: The review covers literature related to synthesis and characterization of carbon dots. It includes around 171 research articles in this field. Results: Carbon dots can be synthesized using numerous routes. In all cases CDs possess spectral properties with little variation in wavelength maxima. Optical properties of CDs can be tuned by compositing these with metallic quantum dots or by modifying their surface with desired functionalities. HR-TEM is needed to see the morphology and size of particles whereas UV-Visible and FTIR are indispensable tools for this kind of research. These particles are successfully applied to sense small molecules in some matrices. Conclusion: Carbon dots are bright stars in fluorescent sensing of small molecules. However, more research is needed to determine small organic molecules in diversified areas of analysis.

scholarly journals The Diffuse Interstellar Bands: an Elderly Astro-Puzzle Rejuvenated

2011 ◽  
Vol 7 (S280) ◽  
pp. 162-176 ◽  
Author(s):  
Nick L. J. Cox
Keyword(s):  
Interstellar Medium ◽  
Organic Compounds ◽  
Recent Progress ◽  
Organic Molecules ◽  
Exact Nature ◽  
Diffuse Band ◽  
Small Organic Molecules ◽  
Complex Component ◽  
Diffuse Interstellar Bands ◽  
The Universe

AbstractThe interstellar medium constitutes a physically and chemically complex component of galaxies and is important in the cycle of matter and the evolution of stars. From various spectroscopic clues we now know that the interstellar medium is rich in organic compounds. However, identifying the exact nature of all these components remains a challenge. In particular the identification of the so-called diffuse band carriers has been alluding astronomers for almost a century.In recent decades, observational, experimental and theoretical advances have rapidly lead to renewed interest in the diffuse interstellar bands (DIBs). This has been instigated partly by their perceived relation to the infrared aromatic emission bands, the UV extinction bump and far-UV rise, and the growing number of (small) organic molecules identified in space.This chapter gives an overview of the observational properties and behaviour of the DIBs, and their presence throughout the Universe. I will highlight recent progress in identifying their carriers and discuss their potential as tracers and probes of (extra)-Galactic ISM conditions.

QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics

2019 ◽  
Author(s):  
Joshua Horton ◽  
Alice Allen ◽  
Leela Dodda ◽  
Daniel Cole
Keyword(s):  
Quantum Mechanics ◽  
Force Field ◽  
Organic Molecules ◽  
Force Fields ◽  
Liquid Density ◽  
Small Organic Molecules ◽  
Automated Generation ◽  
Energy Of Hydration ◽  
Novel Method ◽  
Force Field Parameters

<div><div><div><p>Modern molecular mechanics force fields are widely used for modelling the dynamics and interactions of small organic molecules using libraries of transferable force field parameters. For molecules outside the training set, parameters may be missing or inaccurate, and in these cases, it may be preferable to derive molecule-specific parameters. Here we present an intuitive parameter derivation toolkit, QUBEKit (QUantum mechanical BEspoke Kit), which enables the automated generation of system-specific small molecule force field parameters directly from quantum mechanics. QUBEKit is written in python and combines the latest QM parameter derivation methodologies with a novel method for deriving the positions and charges of off-center virtual sites. As a proof of concept, we have re-derived a complete set of parameters for 109 small organic molecules, and assessed the accuracy by comparing computed liquid properties with experiment. QUBEKit gives highly competitive results when compared to standard transferable force fields, with mean unsigned errors of 0.024 g/cm3, 0.79 kcal/mol and 1.17 kcal/mol for the liquid density, heat of vaporization and free energy of hydration respectively. This indicates that the derived parameters are suitable for molecular modelling applications, including computer-aided drug design.</p></div></div></div>

QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics

2019 ◽  
Author(s):  
Joshua Horton ◽  
Alice Allen ◽  
Leela Dodda ◽  
Daniel Cole
Keyword(s):  
Quantum Mechanics ◽  
Force Field ◽  
Organic Molecules ◽  
Force Fields ◽  
Liquid Density ◽  
Small Organic Molecules ◽  
Automated Generation ◽  
Energy Of Hydration ◽  
Novel Method ◽  
Force Field Parameters

<div><div><div><p>Modern molecular mechanics force fields are widely used for modelling the dynamics and interactions of small organic molecules using libraries of transferable force field parameters. For molecules outside the training set, parameters may be missing or inaccurate, and in these cases, it may be preferable to derive molecule-specific parameters. Here we present an intuitive parameter derivation toolkit, QUBEKit (QUantum mechanical BEspoke Kit), which enables the automated generation of system-specific small molecule force field parameters directly from quantum mechanics. QUBEKit is written in python and combines the latest QM parameter derivation methodologies with a novel method for deriving the positions and charges of off-center virtual sites. As a proof of concept, we have re-derived a complete set of parameters for 109 small organic molecules, and assessed the accuracy by comparing computed liquid properties with experiment. QUBEKit gives highly competitive results when compared to standard transferable force fields, with mean unsigned errors of 0.024 g/cm3, 0.79 kcal/mol and 1.17 kcal/mol for the liquid density, heat of vaporization and free energy of hydration respectively. This indicates that the derived parameters are suitable for molecular modelling applications, including computer-aided drug design.</p></div></div></div>

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