Binary self-similar chemical structures

2017 ◽  
Vol 56 (3) ◽  
pp. 850-863
Author(s):  
Jan Turulski
Keyword(s):  
Chemical Structures ◽  
Similar Chemical ◽  
Self Similar

scholarly journals Synthesis and Biological Activity of New Brassinosteroid Analogs of Type 24-Nor-5β-Cholane and 23-Benzoate Function in the Side Chain

2021 ◽  
Vol 22 (9) ◽  
pp. 4808
Author(s):  
Nitza Soto ◽  
Karoll Ferrer ◽  
Katy Díaz ◽  
César González ◽  
Lautaro Taborga ◽  
...  
Keyword(s):  
Good Alternative ◽  
Positive Control ◽  
Starting Material ◽  
Chemical Structures ◽  
High Reaction ◽  
Similar Chemical ◽  
Synthetic Procedure ◽  
Hyodeoxycholic Acid ◽  
External Stresses

Brassinosteroids are polyhydroxysteroids that are involved in different plants’ biological functions, such as growth, development and resistance to biotic and external stresses. Because of its low abundance in plants, much effort has been dedicated to the synthesis and characterization of brassinosteroids analogs. Herein, we report the synthesis of brassinosteroid 24-nor-5β-cholane type analogs with 23-benzoate function and 22,23-benzoate groups. The synthesis was accomplished with high reaction yields in a four-step synthesis route and using hyodeoxycholic acid as starting material. All synthesized analogs were tested using the rice lamina inclination test to assess their growth-promoting activity and compare it with those obtained for brassinolide, which was used as a positive control. The results indicate that the diasteroisomeric mixture of monobenzoylated derivatives exhibit the highest activity at the lowest tested concentrations (1 × 10−8 and 1 × 10−7 M), being even more active than brassinolide. Therefore, a simple synthetic procedure with high reaction yields that use a very accessible starting material provides brassinosteroid synthetic analogs with promising effects on plant growth. This exploratory study suggests that brassinosteroid analogs with similar chemical structures could be a good alternative to natural brassinosteroids.

Molecular Motion Analysis of 5CB in PDLCs Using Solid-State 13C NMR Relaxation Spectroscopy

1993 ◽  
Vol 47 (7) ◽  
pp. 933-941 ◽  
Author(s):  
Karen L. Buchert ◽  
Jack L. Koenig ◽  
Shi-Qing Wang ◽  
John L. West
Keyword(s):  
Liquid Crystal ◽  
Solid State ◽  
Polymer Matrix ◽  
Nmr Relaxation ◽  
Domain Size ◽  
Chemical Structures ◽  
Similar Chemical ◽  
Polymer Dispersed ◽  
Submicron Droplets ◽  
Significant Change

In samples of polymer-dispersed liquid crystals (PDLCs), submicron droplets of liquid crystal reside within a polymer matrix. By the use of the cross polarization technique for solid-state 13C NMR spectroscopy, the NMR spectrum of the liquid crystal can be obtained without interference from the polymer spectrum, even though the two materials have some similar chemical structures. Both 13C T1 and 13C T1 ρ relaxation experiments were performed on a PDLC system of 5CB in epoxy as a function of 5CB domain size. The 13C T1 relaxation constants and the localized motions they measure showed no significant change over the liquid crystal domain size studied. However, the 13C T1 ρ relaxation constants and the segmental motions of molecules they measure revealed a significant change over the liquid crystal domain size studied. Therefore, the 13C T1 ρ values can be used to determine the change in mobility of the molecular segments of the SCB molecules resulting from increased interaction between the liquid crystal and the polymer matrix and to further understand the importance of the molecular motions of the liquid crystal in the switching phenomenon for PDLC materials.

scholarly journals Competitive cocrystallization and its application in the separation of flavonoids

IUCrJ ◽  
2021 ◽  
Vol 8 (2) ◽  
pp. 195-207
Author(s):  
Yanming Xia ◽  
Yuanfeng Wei ◽  
Hui Chen ◽  
Shuai Qian ◽  
Jianjun Zhang ◽  
...  
Keyword(s):  
Free Energy ◽  
Formation Constant ◽  
Energy Gap ◽  
Hirshfeld Surface ◽  
Methanol Solution ◽  
Model Compounds ◽  
Electronic Density ◽  
Chemical Structures ◽  
Similar Chemical ◽  
Interaction Contribution

Recently, cocrystallization has been widely employed to tailor physicochemical properties of drugs in the pharmaceutical field. In this study, cocrystallization was applied to separate natural compounds with similar structures. Three flavonoids [baicalein (BAI), quercetin (QUE) and myricetin (MYR)] were used as model compounds. The coformer caffeine (CAF) could form cocrystals with all three flavonoids, namely BAI–CAF (cocrystal 1), QUE–CAF (cocrystal 2) and MYR–CAF (cocrystal 3). After adding CAF to methanol solution containing MYR and QUE (or QUE and BAI), cocrystal 3 (or cocrystal 2) preferentially formed rather than cocrystal 2 (or cocrystal 1), indicating that flavonoid separation could be achieved by competitive cocrystallization. After co-mixing the slurry of two flavonoids with CAF followed by centrifugation, the resolution ratio that could be achieved was 70–80% with purity >90%. Among the three cocrystals, cocrystal 3 showed the lowest formation constant with a negative Gibbs free energy of nucleation and the highest energy gap. Hirshfeld surface analysis and density of states analysis found that cocrystal 3 had the highest strong interaction contribution and the closest electronic density, respectively, followed by cocrystal 2 and cocrystal 1, suggesting CAF could competitively form a cocrystal with MYR much more easily than QUE and BAI. Cocrystallization is a promising approach for green and effective separation of natural products with similar chemical structures.

scholarly journals Dinucleoside polyphosphates act as 5’-RNA caps in Escherichia coli

2019 ◽  
Author(s):  
Oldřich Hudeček ◽  
Roberto Benoni ◽  
Martin Culka ◽  
Martin Hubálek ◽  
Lubomír Rulíšek ◽  
...  
Keyword(s):  
Escherichia Coli ◽  
Rna Stability ◽  
E Coli ◽  
Chemical Structures ◽  
Additional Layer ◽  
Similar Chemical ◽  
Decapping Enzyme ◽  
Almost All ◽  
Dinucleoside Polyphosphates ◽  
Rna Caps

Dinucleoside polyphosphates (NpnNs), discovered more than 50 years ago,1 are pleiotropic molecules present in almost all types of cells.2 It has been shown that their intracellular concentration can under stress conditions increase from the µM to mM range 2,3. However, the cellular roles and mechanisms of action of NpnNs are still speculative4,5. They have never been considered as part of the RNA, even though they have similar chemical structures as already known RNA caps, such as the nicotinamide adenine dinucleotide (NAD)6-8 and 7-methylguanylate cap9. Here, we show that both methylated and non-methylated Npn Ns serve as RNA caps in Escherichia coli (E. coli). NpnNs are excellent substrates for T7 and E. coli RNA polymerases (RNAP) and efficiently initiate transcription. Further, we demonstrate that the E. coli decapping enzyme RNA 5’ pyrophosphohydrolase (RppH) is able to remove the NpnNs-cap from the RNA. RppH was, however, not able to cleave the methylated forms of the NpnN-caps, suggesting that the methylation adds an additional layer to the RNA stability regulation. Our work introduces an original perspective on the chemical structure of RNA in prokaryotes and the function of RNA caps. This is the first evidence that small molecules like NpnNs can act in cells via their incorporation into RNA and influence the cellular metabolism.

scholarly journals Effects of Petroleum-Based Oils as Dispersing Aids on Physicochemical Characteristics of Magnetorheological Elastomers

Materials ◽  
2021 ◽  
Vol 14 (22) ◽  
pp. 7026
Author(s):  
Norizatie Muhammad Zaki ◽  
Nurul Azhani Yunus ◽  
Muhamad Shakir Yusoff ◽  
Saiful Amri Mazlan ◽  
Siti Aishah Abdul Aziz ◽  
...  
Keyword(s):  
Magnetic Particles ◽  
Physicochemical Characteristics ◽  
Magnetorheological Elastomers ◽  
Weight Percentage ◽  
Chemical Structures ◽  
Microstructure Observation ◽  
Curing Characteristics ◽  
Similar Chemical ◽  
Low Performance ◽  
Light Mineral

This paper investigated the effects of petroleum-based oils (PBOs) as a dispersing aid on the physicochemical characteristics of natural rubber (NR)-based magnetorheological elastomers (MREs). The addition of PBOs was expected to overcome the low performance of magnetorheological (MR) elastomers due to their inhomogeneous dispersion and the mobility of magnetic particles within the elastomer matrix. The NR-based MREs were firstly fabricated by mixing the NR compounds homogeneously with different ratios of naphthenic oil (NO), light mineral oil (LMO), and paraffin oil (PO) to aromatic oil (AO), with weight percentage ratios of 100:0, 70:30, 50:50, and 30:70, respectively. From the obtained results, the ratios of NO mixed with low amounts of AO improved the material physicochemical characteristics, such as thermal properties. Meanwhile, LMO mixed the AO led to the best results for curing characteristics, microstructure observation, and magnetic properties of the MREs. We found that the LMO mixed with a high content of AO could provide good compatibility between the rubber molecular and magnetic particles due to similar chemical structures, which apparently enhance the physicochemical characteristics of MREs. In conclusion, the 30:70 ratio of LMO:AO is considered the preferable dispersing aid for MREs due to structural compounds present in the oil that enhance the physicochemical characteristics of the NR-based MREs.

scholarly journals Similar chemical structures, dissimilar triplet quantum yields: a CASPT2 model rationalizing the trend of triplet quantum yields in nitroaromatic systems

2019 ◽  
Vol 21 (20) ◽  
pp. 10514-10522 ◽  
Author(s):  
Angelo Giussani ◽  
Graham A. Worth
Keyword(s):  
Quantum Yields ◽  
Chemical Structures ◽  
Similar Chemical ◽  
Triplet Quantum Yields

S1/S0 accessibility strongly influences the triplet quantum yields of nitronaphthalenes.

scholarly journals Cellulose-starch Hybrid Films Plasticized by Aqueous ZnCl2 Solution

2019 ◽  
Vol 20 (3) ◽  
pp. 474 ◽  
Author(s):  
Xiaoqin Shang ◽  
Huihua Jiang ◽  
Qingling Wang ◽  
Peng Liu ◽  
Fengwei Xie
Keyword(s):  
Mechanical Properties ◽  
Material Properties ◽  
Cellulose Content ◽  
Natural Polymers ◽  
Hybrid Films ◽  
Materials Development ◽  
Chemical Structures ◽  
Structural Conformation ◽  
Similar Chemical ◽  
Structures And Properties

Starch and cellulose are two typical natural polymers from plants that have similar chemical structures. The blending of these two biopolymers for materials development is an interesting topic, although how their molecular interactions could influence the conformation and properties of the resultant materials has not been studied extensively. Herein, the rheological properties of cellulose/starch/ZnCl2 solutions were studied, and the structures and properties of cellulose-starch hybrid films were characterized. The rheological study shows that compared with starch (containing mostly amylose), cellulose contributed more to the solution’s viscosity and has a stronger shear-thinning behavior. A comparison between the experimental and calculated zero-shear-rate viscosities indicates that compact complexes (interfacial interactions) formed between cellulose and starch with ≤50 wt % cellulose content, whereas a loose structure (phase separation) existed with ≥70 wt % cellulose content. For starch-rich hybrid films prepared by compression molding, less than 7 wt % of cellulose was found to improve the mechanical properties despite the reduced crystallinity of the starch; for cellulose-rich hybrid films, a higher content of starch reduced the material properties, although the chemical interactions were not apparently influenced. It is concluded that the mechanical properties of biopolymer films were mainly affected by the structural conformation, as indicated by the rheological results.

scholarly journals Safety Assessment of Stearyl Heptanoate and Related Stearyl Alkanoates as Used in Cosmetics

2012 ◽  
Vol 31 (5_suppl) ◽  
pp. 141S-146S ◽  
Author(s):  
Monice M. Fiume ◽  
Wilma F. Bergfeld ◽  
Donald V. Belsito ◽  
Ronald A. Hill ◽  
Curtis D. Klaassen ◽  
...  
Keyword(s):  
Fatty Acid ◽  
General Class ◽  
Safety Assessment ◽  
Expert Panel ◽  
Stearyl Alcohol ◽  
Heptanoic Acid ◽  
Chemical Structures ◽  
Similar Chemical ◽  
Available Information

Stearyl heptanoate is an ester of stearyl alcohol and heptanoic acid that functions in cosmetics as a skin conditioning agent and is in the general class of chemicals called stearyl alkanoates. Stearyl caprylate, stearyl palmitate, stearyl stearate, stearyl behenate, and stearyl olivate are stearyl alkanoates with similar chemical structures, toxicokinetics, and functions in cosmetics. These water-insoluble stearyl alkanoates, when metabolized, yield stearyl alcohol and a corresponding fatty acid. The available information supports the safety of all of the related stearyl alkanoates. The Expert Panel concluded that stearyl heptanoate, stearyl caprylate, stearyl palmitate, stearyl stearate, stearyl behenate, and stearyl olivate are safe in the present practices of use and concentration.

Chemical relationships between cephalosporins and penicillins

1971 ◽  
Vol 179 (1057) ◽  
pp. 345-355 ◽  
Keyword(s):  
Pharmaceutical Industry ◽  
Medical Practice ◽  
Raw Material ◽  
Substitution Pattern ◽  
Production Methods ◽  
Chemical Structures ◽  
Similar Chemical ◽  
Starting Point ◽  
The Right ◽  
The Cost

The group of antibiotics known as the penicillins have a unique position in chemistry. Not only were they the first type of antibiotic to be widely accepted in medical practice, but their manufacture provided a powerful stimulant for the growth of the pharmaceutical industry. Furthermore, they still represent the most important and widely dispensed group of antibiotics in current use (Hewitt 1967). Several thousand tons of the penicillins are produced annually. Modern production methods have reduced the cost to a few pence per gram. As a consequence one should now regard the penicillins as a potentially useful raw material, suitable as a starting-point for the synthesis of a variety of derivatives. As an example one may quote the use of penicillins as precursors for the syn­thesis of the related, very useful antibiotics, the cephalosporins. The penam 1 and cephem 2 systems have similar chemical structures notable in possessing the identical β-lactam grouping 3 and the same C 5 isoprenoid-like unit [to the right of the dotted lines in 1 and 2.] The systems differ in that the cephalosporins possess a higher oxidation level than the penicillins and a different substitution pattern on the C 5 unit.

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