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Author(s):  
Yuriy Boiko ◽  
Konstantin Belikov ◽  
Ekaterina Bryleva ◽  
Zinaida Bunina ◽  
Victoria Varchenko ◽  
...  
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2021 ◽  
Vol 923 (1) ◽  
pp. 20
Author(s):  
Xiaoying Pang ◽  
Zeqiu Yu ◽  
Shih-Yun Tang ◽  
Jongsuk Hong ◽  
Zhen Yuan ◽  
...  

Abstract We identify hierarchical structures in the Vela OB2 complex and the cluster pair Collinder 135 and UBC 7 with Gaia EDR3 using the neural network machine-learning algorithm StarGO. Five second-level substructures are disentangled in Vela OB2, which are referred to as Huluwa 1 (Gamma Velorum), Huluwa 2, Huluwa 3, Huluwa 4, and Huluwa 5. For the first time, Collinder 135 and UBC 7 are simultaneously identified as constituent clusters of the pair with minimal manual intervention. We propose an alternative scenario in which Huluwa 1–5 have originated from sequential star formation. The older clusters Huluwa 1–3, with an age of 10–22 Myr, generated stellar feedback to cause turbulence that fostered the formation of the younger-generation Huluwa 4–5 (7–20 Myr). A supernova explosion located inside the Vela IRAS shell quenched star formation in Huluwa 4–5 and rapidly expelled the remaining gas from the clusters. This resulted in global mass stratification across the shell, which is confirmed by the regression discontinuity method. The stellar mass in the lower rim of the shell is 0.32 ± 0.14 M ⊙ higher than in the upper rim. Local, cluster-scale mass segregation is observed in the lowest-mass cluster Huluwa 5. Huluwa 1–5 (in Vela OB2) are experiencing significant expansion, while the cluster pair suffers from moderate expansion. The velocity dispersions suggest that all five groups (including Huluwa 1A and Huluwa 1B) in Vela OB2 and the cluster pair are supervirial and are undergoing disruption, and also that Huluwa 1A and Huluwa 1B may be a coeval young cluster pair. N-body simulations predict that Huluwa 1–5 in Vela OB2 and the cluster pair will continue to expand in the future 100 Myr and eventually dissolve.


2021 ◽  
Vol 22 (21) ◽  
pp. 11785
Author(s):  
Fabio Buonsenso ◽  
Francesca Ghirga ◽  
Isabella Romeo ◽  
Gabriella Siani ◽  
Serena Pilato ◽  
...  

Many biologically active compounds feature low solubility in aqueous media and, thus, poor bioavailability. The formation of the host-guest complex by using calixarene-based macrocycles (i.e., resorcinol-derived cyclic oligomers) with a good solubility profile can improve solubilization of hydrophobic drugs. Herein, we explore the ability of resorc[4]arenes to self-assemble in polar solutions, to form supramolecular aggregates, and to promote water-solubility of an isoflavone endowed with anti-cancer activity, namely Glabrescione B (GlaB). Accordingly, we synthesized several architectures featuring a different pattern of substitution on the upper rim including functional groups able to undergo acid dissociation (i.e., carboxyl and hydroxyl groups). The aggregation phenomenon of the amphiphilic resorc[4]arenes has been investigated in a THF/water solution by UV–visible spectroscopy, at different pH values. Based on their ionization properties, we demonstrated that the supramolecular assembly of resorc[4]arene-based systems can be modulated at given pH values, and thus promoting the solubility of GlaB.


Synlett ◽  
2021 ◽  
Author(s):  
Ryo Sekiya ◽  
Kentaro Harada ◽  
Natsumi Nitta ◽  
Takeharu Haino

A resorcinarene is a synthetic macrocycle comprising four resorcinol molecules covalently linked by methylene bridges. The interannular bridges produce a cavitand, which possesses a bowl-shaped structure. We have developed supramolecular capsules formed through Ag(I) and Cu(I) coordination-driven self-assembly of cavitands possessing 2,2’-bipyridyl arms at the upper rim. The self-assembled capsules accommodate various molecular guests and supramolecular assemblies possessing acetoxy groups. The host-guest chemistry of the molecular capsules is applied to fabricate supramolecular polymers. This account describes the recent developments in supramolecular chemistry of resorcinarene-based coordination capsules and describes the brief history of resorcinarene-based capsules and related capsules.


Synthesis ◽  
2021 ◽  
Author(s):  
Martin Tlusty ◽  
Vaclav Eigner ◽  
Pavel Lhotak

Proximally single-atom bridged calix[4]arenes possess a rigidified cavity and, thus, unusual complexation properties. Here, we report on the synthesis of the first such heteroatom-bridged compound: amine-bridged calix[4]arene. This compound, prepared by thermal decomposition of 4-azidocalix[4]arene, was obtained alongside very interesting rearranged inherently chiral 10H-azepino[1,2-a]indole derivatives. NMR titration confirmed the suitability of amine cavity for the complexation of methylamonnium cations; moreover, the -NH- bridge function enables its further derivatization.


Molecules ◽  
2021 ◽  
Vol 26 (18) ◽  
pp. 5451
Author(s):  
Diana Mironova ◽  
Vladimir Burilov ◽  
Farida Galieva ◽  
Mohamed Ali Mohamed Khalifa ◽  
Sofia Kleshnina ◽  
...  

A potential hypoxia-sensitive system host-guest complex of three calixarenes (including two with four anionic carboxyl and sulphonate azo fragments on the upper rim and a newly synthesized bis-azo adduct of calixarene in the cone configuration with azo fragments on the lower rim with the most widespread cationic and zwitterionic rhodamine dyes (123, 6G and B)) was studied using UV-VIS spectrometry and fluorescence as well as 1D and 2D NMR techniques. It was found that all three calixarenes form a complex with rhodamine dyes with a 1:1 composition. The association constants of calixarene-dye complexes with sulfonate calixarenes, especially in the case of tetra-anionic calixarene, turned out to be higher compared with carboxyl calixarene due to the more intense electrostatic interactions. For the first time using an HRESI MS technique, it was shown that the treatment of rhodamine 6G and 123 with sodium dithionite (SDT) produces a non-fluorescent leuco form of the dye, and only rhodamine B can be used with SDT without the occurrence of a side reduction. Moreover, it was identified that in addition to the reduction in the azo groups, SDT causes partial cleavage of the aryl ether bonds. The found features of SDT should be taken into account when SDT is used as an azoreductase mimic.


Pharmaceutics ◽  
2021 ◽  
Vol 13 (8) ◽  
pp. 1250
Author(s):  
José Antonio Lebrón ◽  
Manuel López-López ◽  
Clara B. García-Calderón ◽  
Ivan V. Rosado ◽  
Fernando R. Balestra ◽  
...  

The formation of calixarene-based liposomes was investigated, and the characterization of these nanostructures was carried out using several techniques. Four amphiphilic calixarenes were used. The length of the hydrophobic chains attached to the lower rim as well as the nature of the polar group present in the upper rim of the calixarenes were varied. The lipid bilayer was formed with one calixarene and with the phospholipid 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, DOPE. The cytotoxicity of the liposomes for various cell lines was also studied. From the results obtained, the liposomes formed with the least cytotoxic calixarene, (TEAC12)4, were used as nanocarriers of both nucleic acids and the antineoplastic drug doxorubicin, DOX. Results showed that (TEAC12)4/DOPE/p-EGFP-C1 lipoplexes, of a given composition, can transfect the genetic material, although the transfection efficiency substantially increases in the presence of an additional amount of DOPE as coadjuvant. On the other hand, the (TEAC12)4/DOPE liposomes present a high doxorubicin encapsulation efficiency, and a slow controlled release, which could diminish the side effects of the drug.


Polymers ◽  
2021 ◽  
Vol 13 (15) ◽  
pp. 2507
Author(s):  
Tatyana Kirila ◽  
Alina Amirova ◽  
Alexey Blokhin ◽  
Andrey Tenkovtsev ◽  
Alexander Filippov

Star-shaped polymers with arms of block and gradient copolymers of 2-ethyl- and 2-isopropyl-2-oxazolines grafted to the upper rim of calix[8]arene were synthesized by the “grafting from” method. The ratio of 2-ethyl- and 2-isopropyl-2-oxazoline units was 1:1. Molar masses and hydrodynamic characteristics were measured using molecular hydrodynamics and optics methods in 2-nitropropane. The arms of the synthesized stars were short and the star-shaped macromolecules were characterized by compact dimensions and heightened intramolecular density. The influence of the arm structure on the conformation of star molecules was not observed. At low temperatures, the aqueous solutions of the studied stars were not molecular dispersed but individual molecules prevailed. One phase transition was detected for all solutions. The phase separation temperatures decreased with a growth of the content of more hydrophobic 2-isopropyl-2-oxazoline units. It was shown that the way of arms grafting to the calix[8]arene core affects the behavior of aqueous solutions of star-shaped poly-2-alkyl-2-oxazoline copolymers. In the case of upper rim functionalization, the shape of calix[8]arene resembles a plate. Accordingly, the core is less shielded from the solvent and the phase separation temperatures are lower than those for star-shaped poly-2-alkyl-2-oxazolines with lower rim functionalization of the calix[8]arene.


Author(s):  
Oleksandr O. Trybrat ◽  
Oleksandr A. Yesypenko ◽  
Svitlana V. Shishkina ◽  
Eduard B. Rusanov ◽  
Yevgen A. Karpichev ◽  
...  

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