A conformational tweak for enhanced cellular internalization, photobleaching resistance and prolonged imaging efficacy

2020 ◽  
Vol 56 (94) ◽  
pp. 14861-14864
Author(s):  
Niranjan Meher ◽  
Anil Parsram Bidkar ◽  
Debasish Barman ◽  
Siddhartha Sankar Ghosh ◽  
Parameswar Krishnan Iyer
Keyword(s):  
Self Assembly ◽  
Biological Activities ◽  
Cellular Internalization ◽  
Molecular Systems ◽  
Simple Strategy ◽  
Fine Tune

A simple strategy of conformational manipulation has been unveiled to fine-tune the photophysical and supramolecular self-assembly properties of small molecular systems, which subsequently regulates their biological activities.

scholarly journals Diketopiperazine Gels: New Horizons from the Self-Assembly of Cyclic Dipeptides

Molecules ◽  
2021 ◽  
Vol 26 (11) ◽  
pp. 3376
Author(s):  
Marco Scarel ◽  
Silvia Marchesan
Keyword(s):  
Drug Discovery ◽  
Enzymatic Hydrolysis ◽  
Self Assembly ◽  
Biological Activities ◽  
Functional Materials ◽  
The Self ◽  
Cyclic Dipeptides ◽  
New Horizons ◽  
Concise Review

Cyclodipeptides (CDPs) or 2,5-diketopiperazines (DKPs) can exert a variety of biological activities and display pronounced resistance against enzymatic hydrolysis as well as a propensity towards self-assembly into gels, relative to the linear-dipeptide counterparts. They have attracted great interest in a variety of fields spanning from functional materials to drug discovery. This concise review will analyze the latest advancements in their synthesis, self-assembly into gels, and their more innovative applications.

scholarly journals Graphene Templated DNA Arrays and Biotin-Streptavidin Sensitive Bio-Transistors Patterned by Dynamic Self-Assembly of Polymeric Films Confined within a Roll-on-Plate Geometry

Nanomaterials ◽  
2020 ◽  
Vol 10 (8) ◽  
pp. 1468
Author(s):  
Sangheon Jeon ◽  
Jihye Lee ◽  
Rowoon Park ◽  
Jeonghwa Jeong ◽  
Min Chan Shin ◽  
...  
Keyword(s):  
Graphene Oxide ◽  
Self Assembly ◽  
Patterned Surfaces ◽  
Dna Arrays ◽  
Simple Strategy ◽  
Modified Dna ◽  
Highly Sensitive ◽  
Wide Range ◽  
Surface Chemistries ◽  
Plate Geometry

Patterning of surfaces with a simple strategy provides insights into the functional interfaces by suitable modification of the surface by novel techniques. Especially, highly ordered structural topographies and chemical features from the wide range of interfaces have been considered as important characteristics to understand the complex relationship between the surface chemistries and biological systems. Here, we report a simple fabrication method to create patterned surfaces over large areas using evaporative self-assembly that is designed to produce a sacrificial template and lithographic etch masks of polymeric stripe patterns, ranging from micrometer to nanoscale. By facilitating a roll-on-plate geometry, the periodically patterned surface structures formed by repetitive slip-stick motions were thoroughly examined to be used for the deposition of the Au nanoparticles decorated graphene oxide (i.e., AuNPs, ~21 nm) and the formation of conductive graphene channels. The fluorescently labeled thiol-modified DNA was applied on the patterned arrays of graphene oxide (GO)/AuNPs, and biotin-streptavidin sensitive devices built with graphene-based transistors (GFETs, effective mobility of ~320 cm2 V−1 s−1) were demonstrated as examples of the platform for the next-generation biosensors with the high sensing response up to ~1 nM of target analyte (i.e., streptavidin). Our strategy suggests that the stripe patterned arrays of polymer films as sacrificial templates can be a simple route to creating highly sensitive biointerfaces and highlighting the development of new chemically patterned surfaces composed of graphene-based nanomaterials.

scholarly journals Colloidal interactions and unusual crystallization versus de-mixing of elastic multipoles formed by gold mesoflowers

2020 ◽  
Vol 11 (1) ◽  
Author(s):  
Ye Yuan ◽  
Mykola Tasinkevych ◽  
Ivan I. Smalyukh
Keyword(s):  
Self Assembly ◽  
Energy Minimization ◽  
Topological Defects ◽  
High Order ◽  
Colloidal System ◽  
Many Body ◽  
Molecular Systems ◽  
Colloidal Interactions ◽  
Many Body Interactions ◽  
Different Order

AbstractColloidal interactions in nematic liquid crystals can be described as interactions between elastic multipoles that depend on particle shape, topology, chirality, boundary conditions and induced topological defects. Here, we describe a nematic colloidal system consisting of mesostructures of gold capable of inducing elastic multipoles of different order. Elastic monopoles are formed by relatively large asymmetric mesoflower particles, for which gravity and elastic torque balancing yields monopole-type interactions. High-order multipoles are instead formed by smaller mesoflowers with a myriad of shapes corresponding to multipoles of different orders, consistent with our computer simulations based on free energy minimization. We reveal unexpected many-body interactions in this colloidal system, ranging from de-mixing of elastic monopoles to a zoo of unusual colloidal crystals formed by high-order multipoles like hexadecapoles. Our findings show that gold mesoflowers may serve as a designer toolkit for engineering colloidal interaction and self-assembly, potentially exceeding that in atomic and molecular systems.

scholarly journals Heterometallic BODIPY-Based Molecular Squares Obtained by Self-Assembly: Synthesis and Biological Activities

ACS Omega ◽  
2019 ◽  
Vol 4 (8) ◽  
pp. 13200-13208 ◽  
Author(s):  
Gajendra Gupta ◽  
Yeji You ◽  
Rizky Hadiputra ◽  
Jaehoon Jung ◽  
Dong-Ku Kang ◽  
...  
Keyword(s):  
Self Assembly ◽  
Biological Activities ◽  
Molecular Squares

Enveloped artificial viral capsids self-assembled from anionic β-annulus peptide and cationic lipid bilayer

2020 ◽  
Vol 56 (52) ◽  
pp. 7092-7095
Author(s):  
Hiroto Furukawa ◽  
Hiroshi Inaba ◽  
Fumihito Inoue ◽  
Yoshihiro Sasaki ◽  
Kazunari Akiyoshi ◽  
...  
Keyword(s):  
Lipid Bilayer ◽  
Self Assembly ◽  
Cationic Lipid ◽  
Viral Capsid ◽  
Viral Capsids ◽  
Simple Strategy ◽  
Self Assembled

We demonstrated a simple strategy for constructing enveloped artificial viral capsids by self-assembly of anionic artificial viral capsid and lipid bilayer containing cationic lipid.

Self-Assembly of Intramolecular Charge-Transfer Compounds into Functional Molecular Systems

2014 ◽  
Vol 47 (4) ◽  
pp. 1186-1198 ◽  
Author(s):  
Yongjun Li ◽  
Taifeng Liu ◽  
Huibiao Liu ◽  
Mao-Zhong Tian ◽  
Yuliang Li
Keyword(s):  
Charge Transfer ◽  
Self Assembly ◽  
Intramolecular Charge Transfer ◽  
Molecular Systems

scholarly journals Towards Building Blocks for Supramolecular Architectures Based on Azacryptates

Molecules ◽  
2020 ◽  
Vol 25 (7) ◽  
pp. 1733 ◽  
Author(s):  
Ana Miljkovic ◽  
Sonia La Cognata ◽  
Greta Bergamaschi ◽  
Mauro Freccero ◽  
Antonio Poggi ◽  
...  
Keyword(s):  
Conformational Changes ◽  
Self Assembly ◽  
Hydrophobic Interactions ◽  
Building Blocks ◽  
Water Mixture ◽  
Molecular Systems ◽  
Supramolecular Architectures ◽  
Starting Point ◽  
The Difference ◽  
Supramolecular Devices

In this work, we report the synthesis of a new bis(tris(2-aminoethyl)amine) azacryptand L with triphenyl spacers. The binding properties of its dicopper complex for aromatic dicarboxylate anions (as TBA salts) were investigated, with the aim to obtain potential building blocks for supramolecular structures like rotaxanes and pseudo-rotaxanes. As expected, UV-Vis and emission studies of [Cu2L]4+ in water/acetonitrile mixture (pH = 7) showed a high affinity for biphenyl-4,4′-dicarboxylate (dfc2−), with a binding constant of 5.46 log units, due to the best match of the anion bite with the Cu(II)-Cu(II) distance in the cage’s cavity. Compared to other similar bistren cages, the difference of the affinity of [Cu2L]4+ for the tested anions was not so pronounced: conformational changes of L seem to promote a good interaction with both long (e.g., dfc2−) and short anions (e.g., terephthalate). The good affinity of [Cu2L]4+ for these dicarboxylates, together with hydrophobic interactions within the cage’s cavity, may promote the self-assembly of a stable 1:1 complex in water mixture. These results represent a good starting point for the application of these molecular systems as building units for the design of new supramolecular architectures based on non-covalent interactions, which could be of interest in all fields related to supramolecular devices.

scholarly journals Aβ(M1–40) and Wild-Type Aβ40 Self-Assemble into Oligomers with Distinct Quaternary Structures

Molecules ◽  
2019 ◽  
Vol 24 (12) ◽  
pp. 2242 ◽  
Author(s):  
Jacob L. Bouchard ◽  
Taylor C. Davey ◽  
Todd M. Doran
Keyword(s):  
Self Assembly ◽  
Quaternary Structure ◽  
Biological Activities ◽  
Amyloid Β ◽  
Long Term Potentiation ◽  
Wild Type ◽  
Molecular Weights ◽  
Term Potentiation ◽  
Quaternary Structures

Amyloid-β oligomers (AβOs) self-assemble into polymorphic species with diverse biological activities that are implicated causally to Alzheimer’s disease (AD). Synaptotoxicity of AβO species is dependent on their quaternary structure, however, low-abundance and environmental sensitivity of AβOs in vivo have impeded a thorough assessment of structure–function relationships. We developed a simple biochemical assay to quantify the relative abundance and morphology of cross-linked AβOs. We compared oligomers derived from synthetic Aβ40 (wild-type (WT) Aβ40) and a recombinant source, called Aβ(M1–40). Both peptides assemble into oligomers with common sizes and morphology, however, the predominant quaternary structures of Aβ(M1–40) oligomeric states were more diverse in terms of dispersity and morphology. We identified self-assembly conditions that stabilize high-molecular weight oligomers of Aβ(M1–40) with apparent molecular weights greater than 36 kDa. Given that mixtures of AβOs derived from both peptides have been shown to be potent neurotoxins that disrupt long-term potentiation, we anticipate that the diverse quaternary structures reported for Aβ(M1–40) oligomers using the assays reported here will facilitate research efforts aimed at isolating and identifying common toxic species that contribute to synaptic dysfunction.

scholarly journals Molecular Modeling Studies of Some Uracil and New Deoxyuridine Derivatives

2016 ◽  
Vol 2016 ◽  
pp. 1-12 ◽  
Author(s):  
Yousra Abdel-Mottaleb ◽  
M. S. A. Abdel-Mottaleb
Keyword(s):  
Molecular Modeling ◽  
Density Functional ◽  
Biological Activities ◽  
Quantitative Relationship ◽  
Molecular Properties ◽  
Molecular Systems ◽  
Biological Potential ◽  
Td Dft ◽  
Molecular Modeling Studies ◽  
Bioactive Agents

Molecular modeling results reported in this paper are crucial in highlighting the quantitative relationship between the optimized structure and computed molecular properties related to four newly synthesized uracil derivatives with promising biological potential as anticancer bioactive agents. Moreover, 5-fluorouracil (5-FU) and its tautomers and thiouracils molecular properties are studied and correlated with their biological activities. The great medical importance of these and similar molecular systems requires research on their quantitative structure-activity relationships (QSAR) in order to further improve our knowledge about how receptor binding, selectivity, and pharmacological effects are achieved. Modeling is performed in the ground and the first singlet excited states using density functional theory (DFT) and its time-dependent extension (TD-DFT), respectively.

scholarly journals Multiscale Molecular Modelling of ATP-fueled Supramolecular Polymerisation and Depolymerisation

2020 ◽  
Author(s):  
Claudio Perego ◽  
Luca Pesce ◽  
Riccardo Capelli ◽  
Subi J. George ◽  
Giovanni M. Pavan
Keyword(s):  
Molecular Modelling ◽  
Self Assembly ◽  
Rational Design ◽  
Atp Hydrolysis ◽  
Grand Challenge ◽  
Molecular Systems ◽  
Artificial Materials ◽  
Profound Knowledge ◽  
General Aspects

Fuel-regulated self-assembly is a key principle by which Nature creates spatiotemporally controlled materials and dynamic molecular systems that are in continuous communication (molecular exchange) with the external environment. Designing artificial materials that self-assemble and disassemble via conversion/consumption of a chemical fuel is a grand challenge in supramolecular chemistry, which requires a profound knowledge of the factors governing these complex systems. Here we focus on recently reported metal-coordinated monomers that polymerise in the presence of ATP and depolymerise upon ATP hydrolysis, exploring their fuel-regulated self-assembly/disassembly via multiscale molecular modelling. We use all-atom simulations to assess the role of ATP in stabilising these monomers in assemblies, and we then build on a minimalistic model to investigate their fuel-driven polymerization and depolymerization on a higher scale. In this way, we elucidate general aspects of fuel-regulated self-assembly that are important toward the rational design of new types of bioinspired materials.

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