scholarly journals Surface Modification by Polyzwitterions of the Sulfabetaine-Type, and Their Resistance to Biofouling

Polymers ◽  
2019 ◽  
Vol 11 (6) ◽  
pp. 1014 ◽  
Author(s):  
Eric Schönemann ◽  
André Laschewsky ◽  
Erik Wischerhoff ◽  
Julian Koc ◽  
Axel Rosenhahn
Keyword(s):  
Structural Diversity ◽  
Negative Control ◽  
Butyl Methacrylate ◽  
Structure Property ◽  
High Molar Mass ◽  
Zwitterionic Polymers ◽  
Chemical Structures ◽  
Structure Property Relationships ◽  
Repeat Units ◽  
The Individual

Films of zwitterionic polymers are increasingly explored for conferring fouling resistance to materials. Yet, the structural diversity of polyzwitterions is rather limited so far, and clear structure-property relationships are missing. Therefore, we synthesized a series of new polyzwitterions combining ammonium and sulfate groups in their betaine moieties, so-called poly(sulfabetaine)s. Their chemical structures were varied systematically, the monomers carrying methacrylate, methacrylamide, or styrene moieties as polymerizable groups. High molar mass homopolymers were obtained by free radical polymerization. Although their solubilities in most solvents were very low, brine and lower fluorinated alcohols were effective solvents in most cases. A set of sulfabetaine copolymers containing about 1 mol % (based on the repeat units) of reactive benzophenone methacrylate was prepared, spin-coated onto solid substrates, and photo-cured. The resistance of these films against the nonspecific adsorption by two model proteins (bovine serum albumin—BSA, fibrinogen) was explored, and directly compared with a set of references. The various polyzwitterions reduced protein adsorption strongly compared to films of poly(n‑butyl methacrylate) that were used as a negative control. The poly(sulfabetaine)s showed generally even somewhat higher anti-fouling activity than their poly(sulfobetaine) analogues, though detailed efficacies depended on the individual polymer–protein pairs. Best samples approach the excellent performance of a poly(oligo(ethylene oxide) methacrylate) reference.

scholarly journals 1,3-Diketone Calix[4]arene Derivatives—A New Type of Versatile Ligands for Metal Complexes and Nanoparticles

Molecules ◽  
2021 ◽  
Vol 26 (5) ◽  
pp. 1214
Author(s):  
Sergey N. Podyachev ◽  
Rustem R. Zairov ◽  
Asiya R. Mustafina
Keyword(s):  
Structural Diversity ◽  
Building Blocks ◽  
Structural Features ◽  
Structure Property ◽  
One Pot ◽  
Arene Ligands ◽  
Structure Property Relationships ◽  
New Type ◽  
Synthetic Routes ◽  
Magnetic Resonance Imaging Mri

The present review is aimed at highlighting outlooks for cyclophanic 1,3-diketones as a new type of versatile ligands and building blocks of the nanomaterial for sensing and bioimaging. Thus, the main synthetic routes for achieving the structural diversity of cyclophanic 1,3-diketones are discussed. The structural diversity is demonstrated by variation of both cyclophanic backbones (calix[4]arene, calix[4]resorcinarene and thiacalix[4]arene) and embedding of different substituents onto lower or upper macrocyclic rims. The structural features of the cyclophanic 1,3-diketones are correlated with their ability to form lanthanide complexes exhibiting both lanthanide-centered luminescence and magnetic relaxivity parameters convenient for contrast effect in magnetic resonance imaging (MRI). The revealed structure–property relationships and the applicability of facile one-pot transformation of the complexes to hydrophilic nanoparticles demonstrates the advantages of 1,3-diketone calix[4]arene ligands and their complexes in developing of nanomaterials for sensing and bioimaging.

scholarly journals A general approach for retrosynthetic molecular core analysis

2019 ◽  
Vol 11 (1) ◽  
Author(s):  
J. Jesús Naveja ◽  
B. Angélica Pilón-Jiménez ◽  
Jürgen Bajorath ◽  
José L. Medina-Franco
Keyword(s):  
Single Molecule ◽  
Chemical Space ◽  
Significant Proportion ◽  
Bipartite Network ◽  
Data Sets ◽  
Structure Property ◽  
Data Set ◽  
Chemical Structures ◽  
Structure Property Relationships ◽  
Analog Series

Abstract Scaffold analysis of compound data sets has reemerged as a chemically interpretable alternative to machine learning for chemical space and structure–activity relationships analysis. In this context, analog series-based scaffolds (ASBS) are synthetically relevant core structures that represent individual series of analogs. As an extension to ASBS, we herein introduce the development of a general conceptual framework that considers all putative cores of molecules in a compound data set, thus softening the often applied “single molecule–single scaffold” correspondence. A putative core is here defined as any substructure of a molecule complying with two basic rules: (a) the size of the core is a significant proportion of the whole molecule size and (b) the substructure can be reached from the original molecule through a succession of retrosynthesis rules. Thereafter, a bipartite network consisting of molecules and cores can be constructed for a database of chemical structures. Compounds linked to the same cores are considered analogs. We present case studies illustrating the potential of the general framework. The applications range from inter- and intra-core diversity analysis of compound data sets, structure–property relationships, and identification of analog series and ASBS. The molecule–core network herein presented is a general methodology with multiple applications in scaffold analysis. New statistical methods are envisioned that will be able to draw quantitative conclusions from these data. The code to use the method presented in this work is freely available as an additional file. Follow-up applications include analog searching and core structure–property relationships analyses.

scholarly journals Crystal chemistry and photomechanical behavior of 3,4-dimethoxycinnamic acid: correlation between maximum yield in the solid-state topochemical reaction and cooperative molecular motion

IUCrJ ◽  
2015 ◽  
Vol 2 (6) ◽  
pp. 653-660 ◽  
Author(s):  
Manish Kumar Mishra ◽  
Arijit Mukherjee ◽  
Upadrasta Ramamurty ◽  
Gautam R. Desiraju
Keyword(s):  
Solid State ◽  
Crystal Packing ◽  
Maximum Yield ◽  
Structure Property ◽  
Crystal Forms ◽  
Individual Crystal ◽  
Structure Property Relationships ◽  
Molecular Movement ◽  
Truxillic Acid ◽  
The Individual

A new monoclinic polymorph, form II (P21/c,Z= 4), has been isolated for 3,4-dimethoxycinnamic acid (DMCA). Its solid-state 2 + 2 photoreaction to the corresponding α-truxillic acid is different from that of the first polymorph, the triclinic form I (P\bar 1,Z= 4) that was reported in 1984. The crystal structures of the two forms are rather different. The two polymorphs also exhibit different photomechanical properties. Form I exhibits photosalient behavior but this effect is absent in form II. These properties can be explained on the basis of the crystal packing in the two forms. The nanoindentation technique is used to shed further insights into these structure−property relationships. A faster photoreaction in form I and a higher yield in form II are rationalized on the basis of the mechanical properties of the individual crystal forms. It is suggested that both Schmidt-type and Kaupp-type topochemistry are applicable for the solid-statetrans-cinnamic acid photodimerization reaction. Form I of DMCA is more plastic and seems to react under Kaupp-type conditions with maximum molecular movements. Form II is more brittle, and its interlocked structure seems to favor Schmidt-type topochemistry with minimum molecular movement.

scholarly journals Polymers of Intrinsic Microporosity

2012 ◽  
Vol 2012 ◽  
pp. 1-16 ◽  
Author(s):  
Neil B. McKeown
Keyword(s):  
Structural Diversity ◽  
Gas Absorption ◽  
Structure Property ◽  
Historical Account ◽  
Covalent Bonds ◽  
Comprehensive Review ◽  
Structure Property Relationships ◽  
Combine Solution ◽  
Polymers Of Intrinsic Microporosity ◽  
Intrinsic Microporosity

This paper focuses on polymers that demonstrate microporosity without possessing a network of covalent bonds—the so-called polymers of intrinsic microporosity (PIM). PIMs combine solution processability and microporosity with structural diversity and have proven utility for making membranes and sensors. After a historical account of the development of PIMs, their synthesis is described along with a comprehensive review of the PIMs that have been prepared to date. The important methods of characterising intrinsic microporosity, such as gas absorption, are outlined and structure-property relationships explained. Finally, the applications of PIMs as sensors and membranes for gas and vapour separations, organic nanofiltration, and pervaporation are described.

The Relation between Structure and Physical Properties in Polyurethans

1962 ◽  
Vol 35 (4) ◽  
pp. 970-1012 ◽  
Author(s):  
Takehide Tanaka ◽  
Tetsuo Yokoyama
Keyword(s):  
Physical Properties ◽  
Polymer Structure ◽  
Structure And Properties ◽  
Structure Property ◽  
Chemical Structures ◽  
Structure Property Relationships ◽  
Polymer Properties ◽  
Wide Range ◽  
Number Of Publications ◽  
Broad Region

Abstract The field of polyurethans is rapidly growing in commercial importance, especially in form and elastomer applications. This group of polymers includes a very broad region of chemical structures and chain length. In many cases polyurethans are synthesized from polyester glycols or polyether glycols and diisocyanates so that the urethan groups are even fewer in number than other functional groups. This process of synthesis enables us to deal with a very wide range of polymer properties, adding interest to the studies of relation between structure and properties. Though a considerable number of publications dealing primarily with the properties of urethan polymers have been published, few of them contribute to better understanding of the relation between these properties and the corresponding polymer structure. Within the last few years information of value has become available, and Saunders has established some semi-quantitative relations by the use of such data. He also discusses in his reports general considerations concerning structure-property relationships. Although his considerations and conclusions show a marked progress, they are not theoretically satisfactory yet, especially from a quantitative viewpoint. The authors have investigated structure-property relationships in polyurethans for a few years and written some papers concerning synthesis, reaction kinetics, some physical properties, network structure, and dynamic behavior of polyurethans.

Petrofabric study using electron channeling patterns of quartzes and hematites in dual-phase banded iron formations

1995 ◽  
Vol 53 ◽  
pp. 388-389
Author(s):  
K. Y. Lee ◽  
B. W. Robertson
Keyword(s):  
Spatial Arrangement ◽  
Structure Property ◽  
Banded Iron Formations ◽  
Thin Sections ◽  
Electron Channeling ◽  
Structure Property Relationships ◽  
Structure Property Relationship ◽  
The Individual ◽  
The Relationship ◽  
Iron Formations

Research in deformation of rocks requires the understanding of structure-property relationship. The study of structure-property relationships requires knowledge of the crystallographic texture on a local scale. Electron Channeling in scanning microscope has been used to analyze textures of local features in a microstructure, misorientations between grains and the spatial arrangement of grains of individual crystallographic orientations can be determined. This information is critical for a mechanical understanding of microstructure evolution during the deformation of rocks. Petrofabric analysis using Electron Channeling Patterns can use normal geological thin sections and mounted sections, which allows relatively fast and easy interpretation and allows one to determine the relationship between a microstructural feature and the individual orientations of its grains. The most efficient and satisfactory way of accomplishing this task is by direct electronic detection and indexing of Kikuchi patterns, which requires modification of the microscope, at considerable cost. This study, however, has been undertaken using only an unmodified SEM with electron channeling capability.

scholarly journals Relationships between chemical structure, mechanical properties and materials processing in nanopatterned organosilicate fins

2017 ◽  
Vol 8 ◽  
pp. 863-871 ◽  
Author(s):  
Gheorghe Stan ◽  
Richard S Gates ◽  
Qichi Hu ◽  
Kevin Kjoller ◽  
Craig Prater ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Chemical Structure ◽  
Electrical Characterization ◽  
Inverse Correlation ◽  
Structure Characterization ◽  
Structure Property ◽  
Chemical Structures ◽  
Structure Property Relationships ◽  
Nanoscale Characterization ◽  
20 Nm

The exploitation of nanoscale size effects to create new nanostructured materials necessitates the development of an understanding of relationships between molecular structure, physical properties and material processing at the nanoscale. Numerous metrologies capable of thermal, mechanical, and electrical characterization at the nanoscale have been demonstrated over the past two decades. However, the ability to perform nanoscale molecular/chemical structure characterization has only been recently demonstrated with the advent of atomic-force-microscopy-based infrared spectroscopy (AFM-IR) and related techniques. Therefore, we have combined measurements of chemical structures with AFM-IR and of mechanical properties with contact resonance AFM (CR-AFM) to investigate the fabrication of 20–500 nm wide fin structures in a nanoporous organosilicate material. We show that by combining these two techniques, one can clearly observe variations of chemical structure and mechanical properties that correlate with the fabrication process and the feature size of the organosilicate fins. Specifically, we have observed an inverse correlation between the concentration of terminal organic groups and the stiffness of nanopatterned organosilicate fins. The selective removal of the organic component during etching results in a stiffness increase and reinsertion via chemical silylation results in a stiffness decrease. Examination of this effect as a function of fin width indicates that the loss of terminal organic groups and stiffness increase occur primarily at the exposed surfaces of the fins over a length scale of 10–20 nm. While the observed structure–property relationships are specific to organosilicates, we believe the combined demonstration of AFM-IR with CR-AFM should pave the way for a similar nanoscale characterization of other materials where the understanding of such relationships is essential.

Thermal and viscoelastic structure–property relationships of model comb-like poly(n-butyl methacrylate)

Polymer ◽  
2007 ◽  
Vol 48 (1) ◽  
pp. 205-219 ◽  
Author(s):  
Johannes J. Vosloo ◽  
André J.P. van Zyl ◽  
Timothy M. Nicholson ◽  
Ronald D. Sanderson ◽  
Robert G. Gilbert
Keyword(s):  
Butyl Methacrylate ◽  
Structure Property ◽  
Structure Property Relationships ◽  
Viscoelastic Structure

New Polybutadiene-Based Thermoplastic Elastomers: Synthesis, Morphology and Mechanical Properties

1997 ◽  
Vol 70 (5) ◽  
pp. 714-726 ◽  
Author(s):  
Ph Dubois ◽  
Y. S. Yu ◽  
Ph Teyssié ◽  
R. Jérôme
Keyword(s):  
Mechanical Properties ◽  
Thermoplastic Elastomers ◽  
Butyl Methacrylate ◽  
Structure Property ◽  
Thermal Transitions ◽  
Selective Hydrolysis ◽  
Structure Property Relationships ◽  
Meth Acrylic Acid ◽  
Hydrolysis Of ◽  
Butadiene Styrene

Abstract Well defined poly[styrene-b-butadiene-b-styrene] block copolymers (SBS) end-capped with poly(t-butyl methacrylate) (PtBMA) and poly (meth acrylic acid) (PMA) outer blocks, respectively, have been synthesized by the sequential anionic polymerization of butadiene, styrene and tBMA, followed by the selective hydrolysis of the PtBMA blocks into the corresponding PMA blocks. The structure-property relationships of these new thermoplastic elastomers have been investigated, with a special emphasis on the effect of the ester or acid outer blocks on the bulk properties. As a rule, tensile strength is improved by increasing the length of the ester or acid outer blocks from 0 to 140 methacrylic units. Dipole—dipole intermolecular interaction of the PtBMA blocks and hydrogen bonding of the PMA blocks may account for enhanced mechanical properties. However, too high a degree of strong intermolecular interactions can constitute a deterrent to good phase separation. This is supported by morphological observations and loss in tensile properties when the relative content of the ester or acid outer blocks exceeds some critical value. In the case of a high acid content, DSC analysis shows two thermal transitions at −70 °C and 230°C for PBD and PMA blocks, respectively.

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