Chemistry Central Journal

http://link.springer.com/journal/13065

List of Papers (Total 1,015)

Comprehensive spectral identification of key intermediates to the final product of the chiral pool synthesis of radezolid

Radezolid (RAD, 12), biaryl oxazolidinone, was synthesised with small modifications according to the methods described in the literature. The pharmacological activity is observed only for (S)-enantiomer, therefore its synthesis is oriented towards obtaining a single isomer of required purity and desired optical configuration. The intermediate products of RAD synthesis were ...

Bis-pyrimidine acetamides: design, synthesis and biological evaluation

Background In the past few years, increased resistance of microorganisms towards antimicrobial agents become a serious health problem, so there is a need for the discovery of new antimicrobial agents. On the other hand, bis-pyrimidines possess various types of biological activity. In view of this, in the present study we have designed and synthesized a new series of bis-pyrimidine ...

Surface bound radicals, char yield and particulate size from the burning of tobacco cigarette

Background Tobacco smoke is a toxic gas-phase cocktail consisting of a broad range of organics, and free radical intermediates. The formation of smoke from a burning cigarette depends on a series of mechanisms, including generation of products by pyrolysis and combustion, aerosol formation, and physical mass transfer processes. Methods The current study simulates the deposition of ...

A comparative study of the metal binding behavior of alanine based bis-thiourea isomers

Two new symmetrical bis-thiourea, 2,2′-[{(terephthaloylbis(azanediyl)bis(carbonothioyl) bis(azanediyl)}dipropanoic acid] (1A) and 3,3′-[{(terephthaloylbis(azanediyl)bis (carbonothioyl)bis(azanediyl)} dipropanoic acid] (1B) were synthesized by the reaction of terephthaloyl chloride with α- and β-alanine in good yields. Their binding properties were investigated with various metal ...

Directed Assembly Network phase three launch: a round-up of success to date and strategy for the future

To showcase the Networks’ success during phase two (2012–2016), and to set out the strategy for phase three (2017–2019), the Directed Assembly Network held a meeting at the Royal Society in London, United Kingdom on 14 and 15 December 2016. Seventy Network members from both industry and academia attended the event. The meeting, which was used as a springboard to launch and ...

Comparison of various techniques for the extraction of umbelliferone and herniarin in Matricaria chamomilla processing fractions

Chamomile, a well-known medicinal plant, is a rich source of bioactive compounds, among which two coumarin derivatives, umbelliferone and herniarin, are often found in its extracts. Chamomile extracts have found a different uses in cosmetic industry, as well as umbelliferone itself, which is, due to its strong absorption of UV light, usually added to sunscreens, while herniarin ...

Regioselective semi-synthesis of 6-isomers of 5,8-O-dimethyl ether of shikonin derivatives via an ‘intramolecular ring-closing/ring-opening’ strategy as potent anticancer agents

Synthesis of 6-isomer of 5,8-O-dimethyl ether of shikonin (13), a promising anticancer scaffold, always remains a huge challenge. Herein a key intermediate for 13, 2-(1-hydroxyl-4-methyl-3-pentenyl)-1,4,5,8-tetramethoxynaphthalene (10), was obtained on the large-scale synthesis. A ring-closing/ring-opening strategy was applied to avoid the undesired reactivity posed by the side ...

Antimicrobial activity of thiophene derivatives derived from ethyl (E)-5-(3-(dimethylamino)acryloyl)-4-methyl-2-(phenylamino)thiophene-3-carboxylate

Background The thiophene nucleus has been recognized as an important entity in the synthesis of heterocyclic compounds with promising pharmacological characteristics. Results A number of new heterocyclic compounds incorporating thiophene species have been prepared from the titled enaminone via the reaction with different nucleophiles and electrophiles. The structure elucidation of ...

Ultra-high resolution X-ray structures of two forms of human recombinant insulin at 100 K

The crystal structure of a commercially available form of human recombinant (HR) insulin, Insugen (I), used in the treatment of diabetes has been determined to 0.92 Å resolution using low temperature, 100 K, synchrotron X-ray data collected at 16,000 keV (λ = 0.77 Å). Refinement carried out with anisotropic displacement parameters, removal of main-chain stereochemical restraints, ...

Structural optimization and evaluation of novel 2-pyrrolidone-fused (2-oxoindolin-3-ylidene)methylpyrrole derivatives as potential VEGFR-2/PDGFRβ inhibitors

Background Tumor angiogenesis, essential for tumor growth and metastasis, is tightly regulated by VEGF/VEGFR and PDGF/PDGFR pathways, and therefore blocking those pathways is a promising therapeutic target. Compared to sunitinib, the C(5)-Br derivative of 2-pyrrolidone-fused (2-oxoindolin-3-ylidene)methylpyrrole has significantly greater in vitro activities against VEGFR-2, PDGFRβ, ...

Structural effects on kinetics and a mechanistic investigation of the reaction between DMAD and N–H heterocyclic compound in the presence of triphenylarsine: spectrophotometry approach

Kinetics and a mechanistic investigation of the reaction between dimethyl acetylenedicarboxcylate (DMAD) and saccharin (N–H heterocyclic compound) has been spectrally studied in methanol environment in the presence of triphenylarsine (TPA) as a catalyst. Previously, in a similar reaction, triphenylphosphine (TTP) (instead of triphenylarsine) has been employed as a third reactant ...

Novel drug targets for Mycobacterium tuberculosis: 2-heterostyrylbenzimidazoles as inhibitors of cell wall protein synthesis

Background Multi drug-resistant and mycobacterial infections are a major public health challenge, leading to high mortality and socioeconomic burdens through worldwide. Novel therapeutics are necessary to treat the drug resistant strains, since no new chemical entities are emerged in the last four decades for the treatment of TB. Findings A series of novel ...

Fingerprint analysis of Resina Draconis by ultra-performance liquid chromatography

Background Resina Draconis, a bright red resin derived from Dracaena cochinchinensis, is a traditional medicine used in China. To improve its quality control approach, an ultra-performance liquid chromatography (UPLC) fingerprint method was developed for rapidly evaluating the quality of Resina Draconis. Methods The precision, repeatability and stability of the proposed UPLC method ...

RD-Metabolizer: an integrated and reaction types extensive approach to predict metabolic sites and metabolites of drug-like molecules

Background Experimental approaches for determining the metabolic properties of the drug candidates are usually expensive, time-consuming and labor intensive. There is a great deal of interest in developing computational methods to accurately and efficiently predict the metabolic decomposition of drug-like molecules, which can provide decisive support and guidance for ...

Comparative study of phenolic compounds, vitamin E, and fatty acids compositional profiles in black seed-coated soybeans (Glycine Max (L.) Merrill) depending on pickling period in brewed vinegar

Background Pickled soybeans or vinegar beans have long been used as a folk remedy and also a supplemental nutritional source in Korea. In general the pickling process in vinegar improves the digestibility of soybeans as well as increases the availability of various (non-)nutrients in soybeans. However, detailed information about the changes in functional substances such as ...

One pot synthesis, antimicrobial and antioxidant activities of fused uracils: pyrimidodiazepines, lumazines, triazolouracil and xanthines

Background Uracil derivatives have a great attraction because they play an important role in pharmacological activities. Pyrimidodiazepines, lumazines, triazolopyrimidines and xanthines have significant wide spectrum activities including anticancer, antiviral as well as antimicrobial activities. Results A newly synthesized compounds pyrimido[4,5-b][1, 4]diazepines 5a–e, 6a–d, ...

Using crystallography, topology and graph set analysis for the description of the hydrogen bond network of triamterene: a rational approach to solid form selection

This study has demonstrated the use of crystallography, topology and graph set analysis in the description and classification of the complex hydrogen bonded network of triamterene. The aim is to give a brief overview of the methodology used to discuss the crystal structure of triamterene with a view to extending the study to include the solvates, cocrystals and salts of this ...

The mechanism for enhanced oxidation degradation of dioxin-like PCBs (PCB-77) in the atmosphere by the solvation effect

The reaction pathways of PCB-77 in the atmosphere with ·OH, O2, NO x , and 1O2 were inferred based on density functional theory calculations with the 6-31G* basis set. The structures the reactants, transition states, intermediates, and products were optimized. The energy barriers and reaction heats were obtained to determine the energetically favorable reaction pathways. To study ...

A review of traditional pharmacological uses, phytochemistry, and pharmacological activities of Tribulus terrestris

Tribulus terrestris L. (TT) is an annual plant of the family Zygophyllaceae that has been used for generations to energize, vitalize, and improve sexual function and physical performance in men. The fruits and roots of TT have been used as a folk medicine for thousands of years in China, India, Sudan, and Pakistan. Numerous bioactive phytochemicals, such as saponins and flavonoids, ...

A validated stability-indicating HPLC method for determination of brimonidine tartrate in BRI/PHEMA drug delivery systems

Background A simple, rapid and accurate stability-indicating reverse phase high performance liquid chromatography (RP-HPLC) was developed and validated for the determination of brimonidine tartrate in brimonidine tartrate/poly(2-hydroxyethyl methacrylate) (BRI/PHEMA) drug delivery contact lenses and pharmaceutical formulations. Results Optimum chromatographic conditions for ...

Selective synthesis of Fe3O4Au x Ag y nanomaterials and their potential applications in catalysis and nanomedicine

In these recent years, magnetite (Fe3O4) has witnessed a growing interest in the scientific community as a potential material in various fields of application namely in catalysis, biosensing, hyperthermia treatments, magnetic resonance imaging (MRI) contrast agents and drug delivery. Their unique properties such as metal–insulator phase transitions, superconductivity, low Curie ...

Comparative studies on phenolic profiles, antioxidant capacities and carotenoid contents of red goji berry (Lycium barbarum) and black goji berry (Lycium ruthenicum)

Background The study on phytochemical difference between red and black goji berry is limited. Methods Antioxidant activities and phenolic profiles in terms of total phenol content, total flavonoid contents, condensed tannin content, monomeric anthocyanin content, and total carotenoid content of red goji berry (Lycium barbarum) and black goji berry (L. ruthenicum) were compared ...

Antiproliferative and apoptotic effects of black turtle bean extracts on human breast cancer cell line through extrinsic and intrinsic pathway

The black turtle bean (BTB) is most widely consumed legume all over the world having anticancer activity. The aim of the study was to analyse the apoptotic effects of BTB extracts on human breast cancer cell lines. Plant extract was prepared by homogenization and centrifugation. The cytotoxic effects of BTB was evaluated by MTT assay and their apoptotic effects were characterized ...