ALKALOIDS OF PLANTS OF BERBERIS TURKOMANIKA KAR

The alkaloid composition of the leaves and young shoots of Berberis turkomanika Kar was studied. The alkaloids glaucine, isocoridine, talicmidine, oxyacanthine, armepavine, berberine, coripalline, as well as the bases turkomanidine and turkamine were isolated from the leaves and young shoots by chromatography. The structure of the alkaloids turcomanidine, turkamine, and the neutral compound cyclotriveratrilene was determined by studying the spectral data and chemical transformations. Turkomanidine, turkamine, and the neutral compound cyclotriveratrilene, were first isolated from a plant of the genus Berberis

The Integrity of Synthetic Magnesium Silicate in Charged Compounds

Magnesium silicate is an inorganic compound which can be used as an ingredient in product formulations for many different purposes. Since its compatibility with other ingredients is critical for product quality and stability, it is essential to characterize the integrity of magnesium silicate in different solutions used for various product formulations. In this paper, we have determined the magnitude of dissociation of synthetic magnesium silicate in positive, neutral, and negative charged compounds using Scanning Electron Microscopy (SEM), Energy Dispersive X-ray Spectroscopy (EDS), and verified the results using Liquid Chromatography-High Resolution Mass Spectrometry (LC-HRMS). Negatively charged compounds were found to significantly impact magnesium silicate dissociation, resulting in physio-chemical separation between magnesium and silicate ions while the positively charged compound had a minor effect on dissociation due to ion competition, and the neutral compound did not have such an impact on magnesium silicate dissociation. Further, when the magnesium ions are dissociated from the synthetic magnesium silicate, the morphology is changed accordingly, and the structural integrity of the synthetic magnesium silicate is damaged. The results provide a scientific confidence and guidance for product development using the synthetic magnesium silicate.

Breeding of industrial hemp with a high content of cannabigerol by the case of ‘Vik 2020’ cultivar

To create an industrial hemp variety of the Central European ecological and geographical type with a high cannabigerol content and universal application. Methods. Breeding (self-pollination, creation of artificial populations, selection), field, biochemical (thin-layer and gas-liquid chromatography of cannabinoid compounds), instrumental and technological assessment of fibre quality, and statistical methods. Results. Variety ‘Vik 2020’ was obtained as a result of creation of artificial populations. The plants are characterized by higher content of cannabigerol (1.034 ± 0.0323%), and almost zero of other secondary metabolites, such as cannabidivarin, cannabidiol, cannabichromene and psychotropic tetrahydrocannabinol (0.003 ± 0.0011; 0.018 ± 0.0080; 0.012 ± 0.0027, and 0.005 ± 0.0012%, respectively). The t rait of cannabigerol content is quite stable within the population and is not correlated with the trait of tetrahydrocannabinol content (r = -0.23). TLC showed that cannabigerol accumulated mainly in the form of cannabigerolic acid and to a lesser extent as a neutral compound, which is consistent with the theory that this substance is a precursor for the synthesis of other cannabinoids. According to the results of the competitive variety test, when growing to obtain fibre and seeds, the variety features short height, specifically significantly lower total (206.4 cm) and technical stem length (135.6 cm) compared to the standard variety, significantly higher inflorescence length (70.8 cm), which determine the formation of the significant yield of biomass suitable for pharmaceutical use and high seed yield (0.98 t/ha). The yield of total fibre was the same as in the standard variety (29.0%), but its quality and technological value for primary processing were higher. The variety had a homogeneous sex structure, resistance to bioltic and abiotic environmental factors. Plants reached biological maturity in 116 days (BBCH 89). This cultivar is recommended for obtaining seeds, quality fiber and potentially cannabigerol (on condition of changes in legislation). Conclusions. The efficiency of using self-pollinating lines in breeding with their subsequent combining into a synthetic population and improving selection was proved by the case of a new variety of industrial hemp ‘Vik 2020’, characterized by an increased content of cannabigerol and the absence of psychotropic properties

Comparison of Neutral Compound Extraction from Archaeological Residues in Pottery Using Two Methodologies: A Preliminary Study

This study compares chloroform/methanol extraction and acidic methanol extraction of neutral compounds in absorbed lipid pottery residues from fourteen archaeological sherds. Previous studies have established that fatty acid extraction is more effective with acidic methanol extraction. This study suggests that acidic methanol extraction of neutral compounds, including sterols, alkanols, alkanes, and terpenoids, is more effective than or comparable to chloroform/methanol solvent extraction in most cases. The acidic methanol method extracts sterols, terpenoids, and alkanes more effectively than or comparably to chloroform/methanol extraction.

DFT simulations for the [6-p-cymene)RuCl2(apy)] complex

Anticarcinogen compounds are extensively investigated in current days. Among the potential alternatives to develop effective drugs for this purpose, stands out the ruthenium (II) complex presents satisfactory anti-tumor activity. In particular, this kind of compounds has been investigated as a possible substitute for Platinum-based drugs. However, Ru (II) complexes need more investigation to understand the ligands' effect on biological environments, such as cytotoxicity, metabolism, accumulation on tumor issues, and others. Therefore, in this work, a robust DFT/B3LYP theoretical investigation was performed using GAUSSIAN09 in order to investigate the effects of the +1 and -1 charges on structural and electronic properties of the (6-p-cymene)Ru(II)Cl2(apy) complex. The structure evaluation indicates that +1 charged complex has a slight reduction on the Ru – cymene, Ru – Cl and Ru – apy bond lengths regarding the neutral complex. On the other hand, -1 charged complex shows bond lengths very similar to the neutral compound, except by a very large distance between Ru and one Cl atom, indicating that such atoms were expelled.

Furan-containing double tetraoxa[7]helicene and its radical cation

A furan-based double [7]heterohelicene and its radical cation were achieved with fascinating chiroptical response for the neutral compound.

Studies on the synthesis and properties of nitramino compounds based on tetrazine backbones

A series of novel energetic compounds based on tetrazine-trazole and their energetic salts were synthesized. Neutral compound 4 exhibited satisfactory performance and these compounds are potential candidates for secondary explosives and propellants.

Selectively Charged and Zwitterionic Analogues of the Smallest Immunogenic Structure of Streptococcus Pneumoniae Type 14

Zwitterionic polysaccharides (ZPs) have been shown in recent years to display peculiar immunological properties, thus attracting the interest of the carbohydrate research community. To fully elucidate the mechanisms underlying these properties and exploit the potential of this kind of structures, in depth studies are still required. In this context, the preparation of two cationic, an anionic, as well as two zwitterionic tetrasaccharide analogues of the smallest immunogenic structure of Streptococcus pneumoniae type 14 (SP14) capsular polysaccharide are presented. By exploiting a block strategy, the negative charge has been installed on the non-reducing end of the lactose unit of the tetrasaccharide and the positive charge either on the non-reducing end of the lactosamine moiety or on an external linker. These structures have then been tested by competitive ELISA, showing that the structural variations we made do not modify the affinity of the neutral compound to binding to a specific antibody. However, lower efficacies than the natural SP14 compound were observed. The results obtained, although promising, point to the need to further elongate the polysaccharide structure, which is likely too short to cover the entire epitopes.

Investigation of the effect of the N-oxidation process on the interaction of selected pyridine compounds with biomacromolecules: structural, spectral, theoretical and docking studies

Two new N-oxide compounds, namely glycinium 2-carboxy-1-(λ1-oxidaneyl)-1λ4-pyridine-6-carboxylate–glycine–water (1/1/1), C2H6NO2 +·C7H4NO5 −·C2H5NO2·H2O or [(2,6-HpydcO)(HGLY)(GLY)(H2O)], 1, and methyl 6-carboxy-1-(λ1-oxidaneyl)-1λ4-pyridine-2-carboxylate, C8H7NO5 or 2,6-HMepydcO, 2, were prepared and identified by elemental analysis, FT–IR, Raman spectroscopy and single-crystal X-ray diffraction. The X-ray analysis of 1 revealed an ionic compound containing a 2,6-HpydcO− anion, a glycinium cation, a neutral glycine molecule and a water molecule. Compound 2 is a neutral compound with two independent units in its crystal structure. In addition to the hydrogen bonds, the crystal network is stabilized by π–π stacking interactions of the types pyridine–carboxylate and carboxylate–carboxylate. The thermodynamic stability and charge-distribution patterns for isolated molecules of 2,6-H2pydcO and 2,6-HMepydcO, and their two similar derivatives, pyridine-2,6-dicarboxylic acid (2,6-H2pydc) and dimethyl 1-(λ1-oxidaneyl)-1λ4-pyridine-2,6-dicarboxylate (2,6-Me2pydcO), were studied by density functional theory (DFT) and natural bond orbital (NBO) analysis, respectively. The ability of these compounds and their analogues to interact with nine selected biomacromolecules (BRAF kinase, CatB, DNA gyrase, HDAC7, rHA, RNR, TrxR, TS and Top II) was investigated using docking calculations.

Powder X-ray diffraction structural characterization of the coordination complex cis-[Co(κ2N,N′-1,10-phenanthroline-5,6-dione)2Cl2]

The reduction of cis-[CoIII(κ2N,N′-1,10-phenanthroline-5,6-dione)2Cl2]Cl into the neutral compound cis-[CoII(κ2N,N′-1,10-phenanthroline-5,6-dione)2Cl2] was observed during developmental studies of new antimalarial drugs. The crystal structure of cis-[CoII(κ2N,N′-1,10-phenanthroline-5,6-dione)2Cl2] was unveiled by powder X-ray diffraction studies (PXRD). PXRD details, unit cell parameters, and space group for cis-[CoII(κ2N,N′-1,10-phenanthroline-5,6-dione)2Cl2], C24H12Cl2CoN4O4, are reported [a = 41.4951 (13) Å, b = 8.2768 (2) Å, c = 12.4994 (3) Å, unit cell volume V = 4292.9 (2) Å3, Z = 8, and space group Fdd2]. Infrared spectroscopy features are also discussed.