Construction and modulation of structural diversity in acylamide-MOFs

CrystEngComm ◽  
2014 ◽  
Vol 16 (25) ◽  
pp. 5608-5618 ◽  
Author(s):  
Shu-Yun Huang ◽  
Jian-Qiang Li ◽  
Shu-Juan Liu ◽  
Yang Ning ◽  
Li-Na Meng ◽  
...  
Keyword(s):  
Structural Diversity ◽  
Structural Features ◽  
Synthesis Conditions

Under different synthesis conditions, a series of compounds based on the L ligand are obtained. The resulting compounds, 1–7, show different structural features, involving interpenetrating, interlocked, puncturing, and pillared-layered frameworks.

scholarly journals Copper(II) 2,2-Bis(Hydroxymethyl)Propionate Coordination Compounds with Hexamethylenetetramine: From Mononuclear Complex to One-Dimensional Coordination Polymer

Molecules ◽  
2021 ◽  
Vol 26 (11) ◽  
pp. 3358
Author(s):  
Sadaf Rauf ◽  
Agata Trzesowska-Kruszynska ◽  
Tomasz Sierański ◽  
Marcin Świątkowski
Keyword(s):  
Coordination Polymer ◽  
Coordination Compounds ◽  
Structural Diversity ◽  
Structural Features ◽  
Mononuclear Complex ◽  
Molar Ratio ◽  
One Dimensional ◽  
1D Coordination Polymer ◽  
Copper Coordination ◽  
Stretching Vibrations

Three new copper coordination compounds derived from 2,2-bis(hydroxymethyl)propionic acid (dmpa) and hexamethylenetetramine (hmta) were obtained and their crystal structures were determined. The stoichiometry of the reagents applied in the syntheses reflects the metal to ligand molar ratio in the formed solid products. Due to the multiple coordination modes of the used ligands, wide structural diversity was achieved among synthesized compounds, i.e., mononuclear [Cu(dmp)2(hmta)2(H2O)] (1), dinuclear [Cu2(dmp)4(hmta)2] (2), and 1D coordination polymer [Cu2(dmp)4(hmta)]n (3). Their supramolecular structures are governed by O—H•••O and O—H•••N hydrogen bonds. The compounds were characterized in terms of absorption (UV-Vis and IR) and thermal properties. The relationships between structural features and properties were discussed in detail. Owing to discrepancies in the coordination mode of a dmp ligand, bidentate chelating in 1, and bidentate bridging in 2 and 3, there is a noticeable change in the position of the bands corresponding to the stretching vibrations of the carboxylate group in the IR spectra. The differences in the structures of the compounds are also reflected in the nature and position of the UV-Vis absorption maxima, which are located at lower wavelengths for 1.

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 Three-Dimensional Structures of Carbohydrates and Where to Find Them

2020 ◽  
Vol 21 (20) ◽  
pp. 7702 ◽  
Author(s):  
Sofya I. Scherbinina ◽  
Philip V. Toukach
Keyword(s):  
Experimental Data ◽  
Molecular Modeling ◽  
Computational Methods ◽  
Three Dimensional ◽  
Structural Diversity ◽  
Structural Data ◽  
Structural Features ◽  
Data Validation ◽  
Data Generation ◽  
Efficient Treatment

Analysis and systematization of accumulated data on carbohydrate structural diversity is a subject of great interest for structural glycobiology. Despite being a challenging task, development of computational methods for efficient treatment and management of spatial (3D) structural features of carbohydrates breaks new ground in modern glycoscience. This review is dedicated to approaches of chemo- and glyco-informatics towards 3D structural data generation, deposition and processing in regard to carbohydrates and their derivatives. Databases, molecular modeling and experimental data validation services, and structure visualization facilities developed for last five years are reviewed.

scholarly journals TYPOLOGICAL AND STRUCTURAL CHARACTERISTICS OF ERGONYMS WITH ANTROPONYMIC ELEMENT (case study of the names of trade and service enterprises of Izhevsk)

2021 ◽  
Vol 31 (5) ◽  
pp. 971-977
Author(s):  
V.V. Detinkina ◽  
Yu.V. x Yu.V. Zheleznova ◽  
I.Yu. Rusanova
Keyword(s):  
Structural Characteristics ◽  
Structural Diversity ◽  
Structural Features ◽  
Social Orientation ◽  
Continuous Sampling ◽  
Service Companies ◽  
Company Sector ◽  
Typological Variation ◽  
Linguistic Units

The high density of ergonyms in the urban onomasticon, as well as their social orientation, has contributed to the constant scientific interest in these linguistic units. The article presents the results of studying ergonyms with an anthroponymic element of commercial enterprises and service companies located in the city of Izhevsk. The authors analyze the typological characteristics of ergonyms, their structural features. The problems of compatibility between business name and company sector is under consideration as well. When selecting material for research, the method of continuous sampling was used. The main method used to study is the method of scientific description, which involves direct observation, systematization, classification and interpretation. Based on the results of the description of the constituents of the four groups, a conclusion is made about the high typological variation of units and their structural diversity. Graphic ways to display a business name are characterized by the use of the Cyrillic and Latin alphabets including letters, punctuation marks and different symbols.

scholarly journals Analyzing the Biological and Structural Diversity of Hyrcanian Forests Dominated by Taxus baccata L.

Forests ◽  
2020 ◽  
Vol 11 (6) ◽  
pp. 701
Author(s):  
Seyed Jalil Alavi ◽  
Razieh Veiskarami ◽  
Omid Esmailzadeh ◽  
Klaus v. Gadow
Keyword(s):  
Species Abundance ◽  
Structural Diversity ◽  
Structural Features ◽  
World Heritage Site ◽  
Small Scale ◽  
Taxus Baccata ◽  
Natural Forests ◽  
Northern Iran ◽  
Hyrcanian Forests ◽  
Field Plots

The Hyrcanian Forests, well-known for its World Heritage site in the South Caspian region of Northern Iran, are refugia for a special tree flora. Some areas in particular feature a concentration of large and numerous trees of Taxus baccata, a species that has attracted the interest of many researchers given its medicinal importance. The objective of this study was to analyze the biological and structural features of these unique ecosystems based on three large tree-mapped field plots using new methods. We developed a species abundance distribution and three species–area relations, and analyzed the small-scale structural patterns of each of the 15 tree species that occur in the plots. Species-specific details are presented for each of the three field plots, including the tree densities and average tree sizes, as well as the associated structural indices “species mingling”, “dominance”, and “size differentiation”. This includes non-linear relationships between tree density and neighborhood mingling, and between the average tree size and neighborhood dominance, and a linear relation between the neighborhood dominance and the mean neighborhood differentiation. Based on the findings, we recommend the use of these methods and indices for analyzing the structure of natural forests in other regions of the world.

scholarly journals Structural Revisions in Natural Ellagitannins

Molecules ◽  
2018 ◽  
Vol 23 (8) ◽  
pp. 1901 ◽  
Author(s):  
Hidetoshi Yamada ◽  
Shinnosuke Wakamori ◽  
Tsukasa Hirokane ◽  
Kazutada Ikeuchi ◽  
Shintaro Matsumoto
Keyword(s):  
Phenolic Compounds ◽  
Biological Activities ◽  
Structural Diversity ◽  
Structural Features ◽  
Complex Structures ◽  
Structural Determination ◽  
Major Focus ◽  
Chebulagic Acid ◽  
Potential Applications

Ellagitannins are literally a class of tannins. Triggered by the oxidation of the phenolic parts on β-pentagalloyl-d-glucose, ellagitannins are generated through various structural conversions, such as the coupling of the phenolic parts, oxidation to highly complex structures, and the formation of dimer and lager analogs, which expand the structural diversity. To date, more than 1000 natural ellagitannins have been identified. Since these phenolic compounds exhibit a variety of biological activities, ellagitannins have potential applications in medicine and health enhancement. Within the context of identifying suitable applications, considerations need to be based on correct structural features. This review describes the structural revisions of 32 natural ellagitannins, namely alnusiin; alnusnin A and B; castalagin; castalin; casuarinin; cercidinin A and B; chebulagic acid; chebulinic acid; corilagin; geraniin; isoterchebin; nobotanin B, C, E, G, H, I, J, and K; punicalagin; punicalin; punigluconin; roxbin B; sanguiin H-2, H-3, and H-6; stachyurin; terchebin; vescalagin; and vescalin. The major focus is on the outline of the initial structural determination, on the processes to find the errors in the structure, and on the methods for the revision of the structure.

scholarly journals Novel Structural Features of Human Norovirus Capsid

2019 ◽  
Author(s):  
Jessica Devant ◽  
Götz Hofhaus ◽  
Grant S. Hansman
Keyword(s):  
Structural Changes ◽  
Expression System ◽  
Structural Diversity ◽  
Structural Features ◽  
Amino Acid Identity ◽  
Icosahedral Symmetry ◽  
Capsid Shell ◽  
Capsid Protein Vp1 ◽  
Cell Expression ◽  
Insect Cell Expression

ABSTRACTHuman noroviruses are a major cause of gastroenteritis, yet there are still no vaccines or antivirals available. Nevertheless, a number of vaccine candidates that are currently in clinical trials are composed of norovirus virus-like particles (VLPs). These VLPs are recognized as morphologically and antigenically similar to norovirus virions. An X-ray crystal structure of the prototype (GI.1) VLPs showed that the norovirus capsid has a T=3 icosahedral symmetry and is composed of 180 copies of the major capsid protein (VP1) that folds into three quasi-equivalent subunits (A, B, and C). In this study, we determined the cryo-EM structure of VLPs for two GII.4 noroviruses that were detected in 1974 and 2012. We showed that these VLPs had a T=4 symmetry and were composed of 240 copies of VP1. The VP1 on the T=4 VLPs adapted four quasi-equivalent subunits (termed A, B, C, and D), which formed two distinct dimers (A/B and C/D). We found that the T=4 protruding domain was elevated ~21 Å off the capsid shell, which was ~7 Å more than the previously determined for the T=3 GII.10 norovirus. Another interesting feature of the T=4 VLPs was a small cavity and flaplike structure located at the twofold axis. This structural feature was associated with the shell domain (D subunit) and disrupted the contiguous shell. Altogether, we showed that the T=4 VLPs had a number of structural similarities and differences with other noroviruses, but how these structural changes associate with norovirus virions could be important for vaccine studies.IMPORTANCEThe discovery that the GII.4 VLPs (identified in 1974 and 2012, termed CHDC-1974 and NSW-2012, respectively) have a T=4 symmetry is of major significance, since the NSW-2012 is clinically important and previous structural and biochemical studies assumed noroviruses have a T=3 symmetry and are composed of 180 copies of VP1. More importantly, NSW-2012 norovirus shared 96% amino acid identity with a GII.4 vaccine candidate and our data suggests that this vaccine might also have a T=4 symmetry. Although it is not clear if the T=4 VLPs were an artifact of the insect cell expression system, the T=4 VLP vaccines might not recognize equivalent epitopes on T=3 virions, which will be important for future neutralization studies. Finally, further studies with other norovirus genotypes and virions are clearly needed in order to determine the level of this structural diversity.

scholarly journals Compatibility of Aerial and Terrestrial LiDAR for Quantifying Forest Structural Diversity

2020 ◽  
Author(s):  
Elizabeth A. LaRue ◽  
Franklin W. Wagner ◽  
Songlin Fei ◽  
Jeff W. Atkins ◽  
Robert T. Fahey ◽  
...  
Keyword(s):  
Spatial Scales ◽  
Structural Diversity ◽  
Structural Features ◽  
Ecosystem Functions ◽  
Terrestrial Lidar ◽  
Forest Sites ◽  
Cross Compatibility ◽  
Eastern Usa ◽  
Diversity Metrics

Structural diversity is a key feature of forest ecosystems that influences ecosystem functions from local to macroscales. The ability to measure structural diversity in forests with varying ecological composition and management history can improve the understanding of linkages between forest structure and ecosystem functioning. Terrestrial LiDAR has often been used to provide a detailed characterization of structural diversity at local scales, but it is largely unknown whether these same structural features are detectable using aerial LiDAR data that are available across larger spatial scales. We used univariate and multivariate analyses to quantify cross-compatibility of structural diversity metrics from terrestrial versus aerial LiDAR in seven National Ecological Observatory Network sites across the eastern USA. We found strong univariate agreement between terrestrial and aerial LiDAR metrics of canopy height, openness, internal heterogeneity, and leaf area, but found marginal agreement between metrics that describe heterogeneity of the outer most layer of the canopy. Terrestrial and aerial LiDAR both demonstrated the ability to distinguish forest sites from structural diversity metrics in multivariate space, but terrestrial LiDAR was able to resolve finer-scale detail within sites. Our findings indicate that aerial LiDAR can be of use in quantifying broad-scale variation in structural diversity across macroscales.

scholarly journals Hummingbird iridescence: an unsuspected structural diversity influences colouration at multiple scales

2019 ◽  
Author(s):  
Hugo Gruson ◽  
Marianne Elias ◽  
Christine Andraud ◽  
Chakib Djediat ◽  
Serge Berthier ◽  
...  
Keyword(s):  
Multiple Scales ◽  
Interdisciplinary Approach ◽  
Structural Diversity ◽  
Structural Features ◽  
Optical Systems ◽  
Evolutionary Transitions ◽  
Layer Width ◽  
Novel Approach ◽  
Single Colour ◽  
Angular Dependency

AbstractIridescent colours are colours that change depending on the angle of illumination or observation. They are produced when light is reflected by multilayer structures or diffracted by gratings. While this phenomenon is well understood for simple optical systems, it remains unclear how complex biological structures interact with light to produce iridescence. There are very few comparative studies at interspecific level (often focusing on a single colour patch for each species), resulting in an underestimation of structure diversity. Using an interdisciplinary approach combining physics and biology, we here quantify the colour and structure of 36 hummingbirds species evenly distributed across the phylogeny. We explore at least 2 patches per species, which are assumed to be under different selective regimes. For each patch, we measure structural features (number of layers, layer width, irregularity, spacing, etc.) of the feathers at different scales using both optical and electronic microscopy and we measure colour using a novel approach we developed to encompass the full complexity of iridescence, including its angular dependency. We discover an unsuspected diversity of structures producing iridescence in hummingbirds. We also study the effect of several structural features on the colour of the resulting signal, using both an empirical and modelling approach. Our findings demonstrate the need to take into account multiple patches per species and suggest possible evolutionary pressures causing the evolutionary transitions from one melanosome type to another.

scholarly journals Separation and identification of permethylated glycan isomers by reversed phase nanoLC-NSI-MSn

2020 ◽  
Author(s):  
Simone Kurz ◽  
M. Osman Sheikh ◽  
Shan Lu ◽  
Lance Wells ◽  
Michael Tiemeyer
Keyword(s):  
High Performance ◽  
Method Development ◽  
Statistical Significance ◽  
Biological Significance ◽  
Structural Diversity ◽  
Structural Features ◽  
Reversed Phase ◽  
Detection Sensitivity ◽  
Detection Methods ◽  
Mobile Phase Optimization

SUMMARYHigh performance liquid chromatography has been employed for decades to enhance detection sensitivity and quantification of complex analytes within biological mixtures. Among these analytes, glycans released from glycoproteins and glycolipids have been characterized as underivatized or fluorescently tagged derivatives by HPLC coupled to various detection methods. These approaches have proven extremely useful for profiling the structural diversity of glycoprotein and glycolipid glycosylation but require the availability of glycan standards and secondary orthogonal degradation strategies to validate structural assignments. A robust method for HPLC separation of glycans as their permethylated derivatives, coupled with in-line MSn fragmentation to assign structural features independent of standards, would significantly enhance the depth of knowledge obtainable from biological samples. Here, we report an optimized workflow for LC-MS analysis of permethylated glycans that includes sample preparation, mobile phase optimization, and MSn method development to resolve structural isomers on-the-fly. We report baseline separation and MSn fragmentation of isomeric N- and O-glycan structures, aided by supplementing mobile phases with Li+, which simplifies adduct heterogeneity and facilitates cross-ring fragmentation to obtain valuable monosaccharide linkage information. Our workflow has been adapted from standard proteomics-based workflows and, therefore, provides opportunities for laboratories with expertise in proteomics to acquire glycomic data with minimal deviation from existing buffer systems, chromatography media, and instrument configurations. Furthermore, our workflow does not require a mass spectrometer with high-resolution/accurate mass capabilities. The rapidly evolving appreciation of the biological significance of glycans for human health and disease requires the implementation of high-throughput methods to identify and quantify glycans harvested from sample sets of sufficient size to achieve appropriately powered statistical significance. The LC-MSn approach we report generates glycan isomeric separations, robust structural characterization, and is amenable to auto-sampling with associated throughput enhancements.

Sign in / Sign up

Export Citation Format

Share Document