ChemInform Abstract: Recent Developments in Asymmetric Synthesis of Homoallylic Amines Catalyzed by Small Organic Molecules

ChemInform ◽  
2015 ◽  
Vol 46 (14) ◽  
pp. no-no
Author(s):  
Quanxuan Zhang ◽  
Changning Wang ◽  
Wenjun Zhao
Keyword(s):  
Asymmetric Synthesis ◽  
Organic Molecules ◽  
Small Organic Molecules ◽  
Homoallylic Amines ◽  
Recent Developments

scholarly journals Recent developments of novel matrices and on-tissue chemical derivatization reagents for MALDI-MSI

2020 ◽  
Author(s):  
Qiuqin Zhou ◽  
Annabelle Fülöp ◽  
Carsten Hopf
Keyword(s):  
Mass Spectrometry Imaging ◽  
Organic Molecules ◽  
Resolving Power ◽  
Ionization Mass ◽  
Chemical Derivatization ◽  
Small Organic Molecules ◽  
Tissue Sections ◽  
Matrix Properties ◽  
Organic Matrices ◽  
Recent Developments

AbstractMatrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI) is a fast-growing technique for visualization of the spatial distribution of the small molecular and macromolecular biomolecules in tissue sections. Challenges in MALDI-MSI, such as poor sensitivity for some classes of molecules or limited specificity, for instance resulting from the presence of isobaric molecules or limited resolving power of the instrument, have encouraged the MSI scientific community to improve MALDI-MSI sample preparation workflows with innovations in chemistry. Recent developments of novel small organic MALDI matrices play a part in the improvement of image quality and the expansion of the application areas of MALDI-MSI. This includes rationally designed/synthesized as well as commercially available small organic molecules whose superior matrix properties in comparison with common matrices have only recently been discovered. Furthermore, on-tissue chemical derivatization (OTCD) processes get more focused attention, because of their advantages for localization of poorly ionizable metabolites and their‚ in several cases‚ more specific imaging of metabolites in tissue sections. This review will provide an overview about the latest developments of novel small organic matrices and on-tissue chemical derivatization reagents for MALDI-MSI.

Hydrogel supported chiral imidazolidinone for organocatalytic enantioselective reduction of olefins in water

2016 ◽  
Vol 70 (4) ◽  
Author(s):  
Alessandro Sacchetti ◽  
Filippo Rossi ◽  
Arianna Rossetti ◽  
Roberto Pesa ◽  
Emanuele Mauri
Keyword(s):  
Asymmetric Synthesis ◽  
Asymmetric Catalysis ◽  
Medicinal Chemistry ◽  
Organic Molecules ◽  
Biological Properties ◽  
Good Activity ◽  
Small Organic Molecules ◽  
Enantioselective Reduction ◽  
Activated Olefins ◽  
First Time

AbstractChiral products play an important role particularly in the field of medicinal chemistry, where it is known that enantiomers often have very different biological properties and effects. One of the most powerful tool to obtain a product as a single enantiomer is asymmetric catalysis. Recently, organocatalysis, i.e. the use of small organic molecules to catalyze enantioselective transformations, has emerged as a prominent field in asymmetric synthesis. In this work, the use of hydrogels as a support for a chiral imidazolidinone organocatalyst (MacMillan catalyst) and its application in the reduction of activated olefins mediated by the Hantzsch ester is reported for the first time. Results showed a good activity of hydrogels in respect to both yield and enantioselection.

scholarly journals Recent Advances and Trends in Chemical CPP–Drug Conjugation Techniques

Molecules ◽  
2021 ◽  
Vol 26 (6) ◽  
pp. 1591
Author(s):  
Félix Gayraud ◽  
Merlin Klußmann ◽  
Ines Neundorf
Keyword(s):  
Cancer Cells ◽  
Organic Molecules ◽  
Cell Penetrating Peptide ◽  
Small Organic Molecules ◽  
Drug Conjugates ◽  
Drug Conjugation ◽  
Cell Penetrating ◽  
Recent Developments ◽  
Pros And Cons ◽  
Stimuli Sensitive

This review summarizes recent developments in conjugation techniques for the synthesis of cell-penetrating peptide (CPP)–drug conjugates targeting cancer cells. We will focus on small organic molecules as well as metal complexes that were used as cytostatic payloads. Moreover, two principle ways of coupling chemistry will be discussed direct conjugation as well as the use of bifunctional linkers. While direct conjugation of the drug to the CPP is still popular, the use of bifunctional linkers seems to gain increasing attention as it offers more advantages related to the linker chemistry. Thus, three main categories of linkers will be highlighted, forming either disulfide acid-sensitive or stimuli-sensitive bonds. All techniques will be thoroughly discussed by their pros and cons with the aim to help the reader in the choice of the optimal conjugation technique that might be used for the synthesis of a given CPP–drug conjugate

Photoorganocatalysis, small organic molecules and light in the service of organic synthesis: the awakening of a sleeping giant

2018 ◽  
Vol 16 (25) ◽  
pp. 4596-4614 ◽  
Author(s):  
Ioanna K. Sideri ◽  
Errika Voutyritsa ◽  
Christoforos G. Kokotos
Keyword(s):  
Organic Synthesis ◽  
Organic Molecules ◽  
Small Organic Molecules ◽  
The Awakening ◽  
Recent Developments

This review is focused on recent developments in the use of small organic molecules as photocatalysts.

scholarly journals Mechanochemical synthesis of small organic molecules

2017 ◽  
Vol 13 ◽  
pp. 1907-1931 ◽  
Author(s):  
Tapas Kumar Achar ◽  
Anima Bose ◽  
Prasenjit Mal
Keyword(s):  
Global Warming ◽  
Renewable Energy ◽  
Multicomponent Reactions ◽  
Organic Molecules ◽  
Bond Formation ◽  
Small Organic Molecules ◽  
Recent Developments ◽  
Organometallic Molecules ◽  
Catalytic Applications ◽  
Organic Bond

With the growing interest in renewable energy and global warming, it is important to minimize the usage of hazardous chemicals in both academic and industrial research, elimination of waste, and possibly recycle them to obtain better results in greener fashion. The studies under the area of mechanochemistry which cover the grinding chemistry to ball milling, sonication, etc. are certainly of interest to the researchers working on the development of green methodologies. In this review, a collection of examples on recent developments in organic bond formation reactions like carbon–carbon (C–C), carbon–nitrogen (C–N), carbon–oxygen (C–O), carbon–halogen (C–X), etc. is documented. Mechanochemical syntheses of heterocyclic rings, multicomponent reactions and organometallic molecules including their catalytic applications are also highlighted.

scholarly journals Organocatalysis: A Brief Overview on Its Evolution and Applications

Catalysts ◽  
2018 ◽  
Vol 8 (12) ◽  
pp. 605 ◽  
Author(s):  
Vanessa Oliveira ◽  
Mariana Cardoso ◽  
Luana Forezi
Keyword(s):  
Asymmetric Synthesis ◽  
Organic Molecules ◽  
Small Organic Molecules ◽  
Organometallic Catalysts ◽  
Course Of Action ◽  
Different Types

The use of small organic molecules as catalysts has gained increasing importance recently. These substances, the so-called organocatalysts, present a lot of advantages, like being less toxic, less polluting, and more economically viable than the organometallic catalysts that dominate asymmetric synthesis. This work intends to briefly show some classic works and recent publications, explaining the advantages of organocatalysis and the different types of compounds used in this field, as well as their course of action.

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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