Linear and Branched PEIs (Polyethylenimines) and Their Property Space

Author： Lungu Claudiu N.   Diudea Mircea V.   Putz Mihai V.   Grudziński Ireneusz P.  

Publisher： MDPI

E-ISSN： 1422-0067|17|4|555-555

ISSN： 1422-0067

Source： International Journal of Molecular Sciences, Vol.17, Iss.4, 2016-04, pp. : 555-555

Access to resources Favorite

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract

A chemical property space defines the adaptability of a molecule to changing conditions and its interaction with other molecular systems determining a pharmacological response. Within a congeneric molecular series (compounds with the same derivatization algorithm and thus the same brute formula) the chemical properties vary in a monotonic manner, i.e., congeneric compounds share the same chemical property space. The chemical property space is a key component in molecular design, where some building blocks are functionalized, i.e., derivatized, and eventually self-assembled in more complex systems, such as enzyme-ligand systems, of which (physico-chemical) properties/bioactivity may be predicted by QSPR/QSAR (quantitative structure-property/activity relationship) studies. The system structure is determined by the binding type (temporal/permanent; electrostatic/covalent) and is reflected in its local electronic (and/or magnetic) properties. Such nano-systems play the role of molecular devices, important in nano-medicine. In the present article, the behavior of polyethylenimine (PEI) macromolecules (linear LPEI and branched BPEI, respectively) with respect to the glucose oxidase enzyme GOx is described in terms of their (interacting) energy, geometry and topology, in an attempt to find the best shape and size of PEIs to be useful for a chosen (nanochemistry) purpose.

Related content

2D Quantitative Structure-Property Relationship Study of Mycotoxins by Multiple Linear Regression and Support Vector Machine

By Khosrokhavar Roya   Ghasemi Jahan Bakhsh   Shiri Fereshteh  

International Journal of Molecular Sciences, Vol. 11, Iss. 9, 2010-08 ,pp. : 3052-3068 (17)

MDPI

Access to resources Recommend Favorite

Quantitative Structure–Property Relationships for Aryldiazonia

By Pankratov Alexei N.   Zhelezko Oxana I.  

International Journal of Molecular Sciences, Vol. 3, Iss. 7, 2002-07 ,pp. : 822-855 (34)

MDPI

Access to resources Recommend Favorite

A Comparison of Fresh Frozen vs. Formalin-Fixed, Paraffin-Embedded Specimens of Canine Mammary Tumors via Branched-DNA Assay

By Lüder Ripoli Florenza   Mohr Annika   Conradine Hammer Susanne   Willenbrock Saskia   Hewicker-Trautwein Marion   Hennecke Silvia   Murua Escobar Hugo   Nolte Ingo  

International Journal of Molecular Sciences, Vol. 17, Iss. 5, 2016-05 ,pp. : 724-724 (1)

MDPI

Access to resources Recommend Favorite

Development of Microsatellite Markers in the Branched Broomrape Phelipanche ramosa L. (Pomel) and Evidence for Host-Associated Genetic Divergence

By Le Corre Valérie   Reibel Carole   Gibot-Leclerc Stéphanie  

International Journal of Molecular Sciences, Vol. 15, Iss. 1, 2014-01 ,pp. : 994-1002 (9)

MDPI

Access to resources Recommend Favorite

Branched-chain Amino Acid Biosensing Using Fluorescent Modified Engineered Leucine/Isoleucine/Valine Binding Protein

By Chino Sakura   Sakaguchi Akane   Yamoto Rie   Ferri Stefano   Sode Koji  

International Journal of Molecular Sciences, Vol. 8, Iss. 6, 2007-06 ,pp. : 513-525 (13)

MDPI

Access to resources Recommend Favorite