scholarly journals Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations

ACS Omega ◽  
2019 ◽  
Vol 4 (1) ◽  
pp. 2118-2133 ◽  
Author(s):  
Biswajit Santra ◽  
Debdeep Mandal ◽  
Vivek Gupta ◽  
Pankaj Kalita ◽  
Vierandra Kumar ◽  
...  
Keyword(s):  
Structural Diversity ◽  
Supramolecular Organization ◽  
Phosphate Monoesters

Role of non-covalent interactions in the supramolecular architectures of mercury(ii) diphenyldithiophosphates: An experimental and theoretical investigation

2021 ◽  
Vol 45 (4) ◽  
pp. 2249-2263
Author(s):  
Pretam Kumar ◽  
Snehasis Banerjee ◽  
Anu Radha ◽  
Tahira Firdoos ◽  
Subash Chandra Sahoo ◽  
...  
Keyword(s):  
Theoretical Investigation ◽  
Supramolecular Organization ◽  
Π Interactions ◽  
Supramolecular Architectures ◽  
Non Covalent Interactions ◽  
Covalent Interactions

The H-bond, spodium bond and CH⋯π interactions playing an important role in the supramolecular organization of two mercury(ii) diphenyldithiophosphate complexes have been discussed.

Role of aromatic dicarboxylates in the structural diversity of cobalt(ii) and copper(ii) coordination polymers containing a flexible N,N′-di(3-pyridyl)octanediamide ligand

CrystEngComm ◽  
2013 ◽  
Vol 15 (36) ◽  
pp. 7274 ◽  
Author(s):  
Xiu-Li Wang ◽  
Fang-Fang Sui ◽  
Hong-Yan Lin ◽  
Chuang Xu ◽  
Guo-Cheng Liu ◽  
...  
Keyword(s):  
Coordination Polymers ◽  
Structural Diversity

scholarly journals A hidden catalysis: metal-, and organocatalyst-free one-pot assembly of chiral aza-tricyclic molecules containing six contiguous stereocenters

2020 ◽  
Author(s):  
Dung Do
Keyword(s):  
Chemical Space ◽  
Structural Diversity ◽  
Therapeutic Agents ◽  
Chiral Molecules ◽  
One Pot ◽  
Complex Molecules ◽  
Chiral Complex ◽  
Enamine Catalysis ◽  
Daunting Challenge

<p></p><p>Chiral molecules with their defined 3-D structures are of paramount importance for the study of chemical biology and drug discovery. Having rich structural diversity and unique stereoisomerism, chiral molecules offer a large chemical space that can be explored for the design of new therapeutic agents.<sup>1</sup> In practice, chiral architectures are usually prepared from organometallic and organocatalytic processes where a transition metal or an organocatalyst is tailor-made for a desired reaction. As a result, developing a method that enables rapid assembly of chiral complex molecules under a metal- and organocatalyst-free condition represents a daunting challenge. Here we developed a straightforward one-pot procedure to create a chiral 3-D structure from 2-D structures and an amino acid without any chiral catalyst. The center of this research is the design of a <a>special chiral spiroimidazolidinone cyclohexadienone intermediate</a>, a merger of a chiral reactive substrate with multiple nucleophillic/electrophillic sites and a transient organocatalyst. <a>This unique substrate-catalyst (“sub-catalyst”) dual role of the intermediate was displayed in its aza-Michael/Michael cascade reaction with an </a>α,β-unsaturated aldehyde under an iminium/enamine catalysis. <a>The enhanced co-ordinational proximity of the chiral substrate and catalyst</a> in the transition state resulted in a substantial steric discrimination and an excellent overall diastereoselectivity. Aza-tricylic molecules with six contiguous stereocenters were assembled from <i>N</i>-alkylated aminophenols, α,β-unsaturated aldehydes and chiral α-amino acids under a hidden “sub-catalysis” where the strategically produced “sub-catalyst” does not present in initial components of the reaction. The success of this methodology will pave the way for many efficient preparations of chiral complex molecules.</p><br><p></p>

Functional phosphorus-based π-conjugated systems: Structural diversity without multistep synthesis

2007 ◽  
Vol 79 (2) ◽  
pp. 201-212 ◽  
Author(s):  
Muriel Hissler ◽  
Christophe Lescop ◽  
Régis Réau
Keyword(s):  
Structural Diversity ◽  
Building Blocks ◽  
Transition Metal Ions ◽  
Organic Light Emitting Diodes ◽  
Supramolecular Organization ◽  
Chemical Transformations ◽  
Light Emitting ◽  
Conjugated Systems ◽  
Multistep Synthesis ◽  
Organic Light

The synthesis and properties of linear π-conjugated systems incorporating phosphole rings are described. Their supramolecular organization in the solid state can be controlled either by chemical modifications or coordination to transition metals of the phosphorus atom. Furthermore, chemical transformations of the phosphole ring allow organizing these P-chromophores in 3D assemblies exhibiting σ-π conjugation or in organometallic ferrocene-like derivatives. Phosphole-pyridine-containing π-conjugated chromophores act as P,N-chelates toward transition-metal ions, giving rise to mono- and di-nuclear complexes. The specific properties of these complexes make them valuable materials for organic light-emitting diodes (OLEDs) and interesting building blocks for the tailoring of π-conjugated systems.

scholarly journals Expansion of Variant Diversity Associated with a High Prevalence of Pathogen Strain Superinfection under Conditions of Natural Transmission

2012 ◽  
Vol 80 (7) ◽  
pp. 2354-2360 ◽  
Author(s):  
Massaro W. Ueti ◽  
Yunbing Tan ◽  
Shira L. Broschat ◽  
Elizabeth J. Castañeda Ortiz ◽  
Minerva Camacho-Nuez ◽  
...  
Keyword(s):  
Structural Diversity ◽  
Single Strain ◽  
Content Type ◽  
Tropical Regions ◽  
Temporal And Spatial Patterns ◽  
Population Immunity ◽  
High Prevalence ◽  
Temporal And Spatial ◽  
Composition I

ABSTRACTSuperinfection occurs when a second, genetically distinct pathogen strain infects a host that has already mounted an immune response to a primary strain. For antigenically variant pathogens, the primary strain itself expresses a broad diversity of variants over time. Thus, successful superinfection would require that the secondary strain express a unique set of variants. We tested this hypothesis under conditions of natural transmission in both temperate and tropical regions where, respectively, single-strain infections and strain superinfections of the tick-borne pathogenAnaplasma marginalepredominate. Our conclusion that strain superinfection is associated with a significant increase in variant diversity is supported by progressive analysis of variant composition: (i) animals with naturally acquired superinfection had a statistically significantly greater number of unique variant sequences than animals either experimentally infected with single strains or infected with a single strain naturally, (ii) the greater number of unique sequences reflected a statistically significant increase in primary structural diversity in the superinfected animals, and (iii) the increase in primary structural diversity reflected increased combinations of the newly identified hypervariable microdomains. The role of population immunity in establishing temporal and spatial patterns of infection and disease has been well established. The results of the present study, which examined strain structure under conditions of natural transmission and population immunity, support that high levels of endemicity also drive pathogen divergence toward greater strain diversity.

Water inclusion mediated structural diversity and the role of H-bonds in molecular assemblies of manganese(III) bicompartmental Schiff-base complexes

2016 ◽  
Vol 453 ◽  
pp. 169-178 ◽  
Author(s):  
Angel Gutiérrez ◽  
M. Felisa Perpiñán ◽  
Ana E. Sánchez ◽  
M. Carmen Torralba ◽  
Vicente González
Keyword(s):  
Schiff Base ◽  
Structural Diversity ◽  
Schiff Base Complexes ◽  
Molecular Assemblies ◽  
Water Inclusion

scholarly journals A hidden catalysis: metal-, and organocatalyst-free one-pot assembly of chiral aza-tricyclic molecules containing six contiguous stereocenters

2020 ◽  
Author(s):  
Dung Do
Keyword(s):  
Chemical Space ◽  
Structural Diversity ◽  
Therapeutic Agents ◽  
Chiral Molecules ◽  
One Pot ◽  
Complex Molecules ◽  
Chiral Complex ◽  
Enamine Catalysis ◽  
Daunting Challenge

<p></p><p>Chiral molecules with their defined 3-D structures are of paramount importance for the study of chemical biology and drug discovery. Having rich structural diversity and unique stereoisomerism, chiral molecules offer a large chemical space that can be explored for the design of new therapeutic agents.<sup>1</sup> In practice, chiral architectures are usually prepared from organometallic and organocatalytic processes where a transition metal or an organocatalyst is tailor-made for a desired reaction. As a result, developing a method that enables rapid assembly of chiral complex molecules under a metal- and organocatalyst-free condition represents a daunting challenge. Here we developed a straightforward one-pot procedure to create a chiral 3-D structure from 2-D structures and an amino acid without any chiral catalyst. The center of this research is the design of a <a>special chiral spiroimidazolidinone cyclohexadienone intermediate</a>, a merger of a chiral reactive substrate with multiple nucleophillic/electrophillic sites and a transient organocatalyst. <a>This unique substrate-catalyst (“sub-catalyst”) dual role of the intermediate was displayed in its aza-Michael/Michael cascade reaction with an </a>α,β-unsaturated aldehyde under an iminium/enamine catalysis. <a>The enhanced co-ordinational proximity of the chiral substrate and catalyst</a> in the transition state resulted in a substantial steric discrimination and an excellent overall diastereoselectivity. Aza-tricylic molecules with six contiguous stereocenters were assembled from <i>N</i>-alkylated aminophenols, α,β-unsaturated aldehydes and chiral α-amino acids under a hidden “sub-catalysis” where the strategically produced “sub-catalyst” does not present in initial components of the reaction. The success of this methodology will pave the way for many efficient preparations of chiral complex molecules.</p><br><p></p>

scholarly journals Supramolecular organization as a factor of ribonuclease cytotoxicity

Acta Naturae ◽  
2020 ◽  
Vol 12 (3) ◽  
pp. 24-33
Author(s):  
Elena V. Dudkina ◽  
Vera V. Ulyanova ◽  
Olga N. Ilinskaya
Keyword(s):  
Catalytic Activity ◽  
Cancer Cells ◽  
Therapeutic Potential ◽  
Biological Effects ◽  
Supramolecular Organization ◽  
Cytotoxic Effects ◽  
Selective Cytotoxicity ◽  
Rna Molecules ◽  
Cell Components

One of the approaches used to eliminate tumor cells is directed destruction/modification of their RNA molecules. In this regard, ribonucleases (RNases) possess a therapeutic potential that remains largely unexplored. It is believed that the biological effects of secreted RNases, namely their antitumor and antiviral properties, derive from their catalytic activity. However, a number of recent studies have challenged the notion that the activity of RNases in the manifestation of selective cytotoxicity towards cancer cells is exclusively an enzymatic one. In this review, we have analyzed available data on the cytotoxic effects of secreted RNases, which are not associated with their catalytic activity, and we have provided evidence that the most important factor in the selective apoptosis-inducing action of RNases is the structural organization of these enzymes, which determines how they interact with cell components. The new idea on the preponderant role of non-catalytic interactions between RNases and cancer cells in the manifestation of selective cytotoxicity will contribute to the development of antitumor RNase-based drugs.

Cyclodextrin Inclusion of Medicinal Compounds for Enhancement of their Physicochemical and Biopharmaceutical Properties

2019 ◽  
Vol 19 (25) ◽  
pp. 2357-2370 ◽  
Author(s):  
Mino R. Caira
Keyword(s):  
Drug Discovery ◽  
Inclusion Complexation ◽  
Structural Diversity ◽  
Attrition Rate ◽  
Cyclodextrin Inclusion ◽  
Biopharmaceutical Properties ◽  
Fine Tune ◽  
Early Drug ◽  
Selection Of

Owing to their wide structural diversity and unique complexing properties, cyclodextrins (CDs) find manifold applications in drug discovery and development. The focus of this mini-review is on their uses as ‘enabling excipients’ both in the context of early drug discovery and in subsequent optimisation of drug performance. Features highlighted here include descriptions of the structures of CDs, synthetic derivatisation to fine-tune their properties, the nature of inclusion complexation of drugs within the CD cavity, methodology for the study of free and complexed hosts in the solid state and in solution, the inherent pharmacological activity of several CDs and its utility, novel CD-based drug delivery systems, and the role of CDs in drug discovery and optimisation. Illustrative examples are generally based on research reported during the last two decades. Application of CDs to the optimisation of the performance of established drugs is commonplace, but there are many opportunities for the intervention of CDs during the early stages of drug discovery, which could guide the selection of suitable candidates for development, thereby contributing to reducing the attrition rate of new molecular entities.

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