Relevant bibliographies by topics / Heterocyclic compounds – Synthesis – Mathematical models

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Academic literature on the topic 'Heterocyclic compounds – Synthesis – Mathematical models'

Author: Grafiati
Published: 4 June 2021
Last updated: 15 February 2022

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Journal articles on the topic "Heterocyclic compounds – Synthesis – Mathematical models"

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Mohammed, Salim Jasim, Moayed Salim Al-Gwady, and Attalla Mohammed Sheat. "Synthesis, Characterisation and Antimicrobial Evaluation of Some New Heterocyclic Compounds Using Citric Acid as a Synthon." Pakistan Journal of Scientific & Industrial Research Series A: Physical Sciences 61, no. 2 (2018): 66–73. http://dx.doi.org/10.52763/pjsir.phys.sci.61.2.2018.66.73.

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Kornyushko, V. F., O. M. Nikolaeva, A. V. Panov, R. R. Biglov, and A. S. Kuznetsov. "Quality management of the chemical-technological process for continuous synthesis of pharmaceutical substances of medicinal compounds in flow microreactors." Fine Chemical Technologies 16, no. 3 (2021): 252–66. http://dx.doi.org/10.32362/2410-6593-2021-16-3-252-266.

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Objectives. The introduction of digital tools for the development of medicines, intelligent management systems, and quality control is stipulated not only by modern requirements for the chemical and pharmaceutical industry but also by strict regulatory requirements for manufactured products. This principle ensures the release of a quality product on the first attempt. The aim of this study is to develop information support for the intelligent quality management system for the production of active pharmaceutical substances (APSs) for medicines using a fundamentally new technology: continuous sy
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Farghaly, Thoraya A., Sami A. Al-Hussain, Zeinab A. Muhammad, Magda A. Abdallah, and Magdi E. A. Zaki. "Synthesis and Reactions of Perimidines and Their Fused Systems." Current Organic Chemistry 24, no. 15 (2020): 1669–716. http://dx.doi.org/10.2174/1385272824999200622113807.

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Perimidines are peri-naphtho-fused derivatives of pyrimidine. They are of particular interest as they are a rare example of an azine in which the lone pair of electrons of pyrrole-like nitrogen participates in the π-system of the molecule. Perimidine is an interesting class of heterocyclic compounds. Various synthetic analogs of perimidines have been prepared and evaluated for many pharmacological activities in different models with desired findings. They exhibit biological activities as antitumor, antiulcer, antimicrobial, and antifungal agents. This review is an attempt to organize the synth
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Ohmiya, Hirohisa, Masaya Sawamura, and Yuto Yasuda. "Copper-Catalyzed Enantioselective Coupling between Allyl­boronates and Phosphates Using a Phenol–Carbene Chiral Ligand: Asymmetric Synthesis of Chiral Branched 1,5-Dienes." Synthesis 50, no. 11 (2018): 2235–46. http://dx.doi.org/10.1055/s-0036-1591548.

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Details of the Cu-catalyzed enantioselective allyl–allyl coupling reaction between allylboronates and (Z)-allylic phosphates using a new chiral N-heterocyclic carbene (NHC) ligand containing a phenolic hydroxy group are presented. The copper catalysis delivers enantio­enriched chiral 1,5-dienes with a tertiary stereogenic center. Compatibility with various functional groups and the use of earth-abundant and relatively low-toxicity copper as a metal are attractive features of this protocol. The utility of the chiral phenol–NHC ligand for enantioselective copper catalysis with organoboron compou
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Leites, Helena B., Flávia S. Damasceno, Ariel M. Silber, Ronaldo Z. Mendonça, and Cristina Northfleet de Albuquerque. "Synthesis and evaluation trypanosomicidal activity of new derivatives of megazol." Pharmaceutical and Biological Evaluations 5, no. 2 (2018): 40. http://dx.doi.org/10.26510/2394-0859.pbe.2018.05.

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Objective: This work aims at the synthesis of megazol analogs with antitrypanosomicidal activity. Chagas’disease is caused by Trypanosoma cruzi and is a debilitating disease that has both acute and chronic forms. Many South Americans suffer from the chronic form of Chagas’disease, and there is no treatment currently available.Methods: In the chemical part, classical techniques of heterocyclic synthesis as well as usual methods of identification were used. In the biological part the cell proliferation test was used in vitro and the IC 50.Results: We synthesized a series of derivatives of 2-(1-m
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Simonetti, Giorgia, Carla Boga, Joseph Durante, et al. "Synthesis of Novel Tryptamine Derivatives and Their Biological Activity as Antitumor Agents." Molecules 26, no. 3 (2021): 683. http://dx.doi.org/10.3390/molecules26030683.

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We synthesized five novel tryptamine derivatives characterized by the presence of an azelayl chain or of a 1,1,1-trichloroethyl group, in turn connected to another heterocyclic scaffold. The combination of tryptamin-, 1,1,1-trichloroethyl- and 2-aminopyrimidinyl- moieties produced compound 9 identified as the most active compound in hematological cancer cell lines (IC50 = 0.57–65.32 μM). Moreover, keeping constant the presence of the tryptaminic scaffold and binding it to the azelayl moiety, the compounds maintain biological activity. Compound 13 is still active against hematological cancer ce
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Buszewski, Bogusaw, and Monika Michel. "Quantitative Structure-Retention Relationship Studies as an Analytical Tool in the Determination and Modeling of Pesticide Residues in Plant Organisms." Journal of AOAC INTERNATIONAL 93, no. 6 (2010): 1703–14. http://dx.doi.org/10.1093/jaoac/93.6.1703.

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Abstract Crop models use mathematical equations to simulate the physical and chemical processes that generally control the uptake, translocation, and sorption of pesticides in all parts of plants. Our interest is focused on method optimization to determine the new compounds using stationary and mobile phases with different physicochemical properties. The work deals with five fungicides composed of nitrogen-containing heterocycles, 1,2,4-triazoles. The sample preparation liquid extraction and solid-phase-based methods are used to determine and model the pesticide residues in plants organisms. A
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Bárány, Péter, Rita Szabó Oláh, Imre Kovács, et al. "Ferrocene-Containing Impiridone (ONC201) Hybrids: Synthesis, DFT Modelling, In Vitro Evaluation, and Structure–Activity Relationships." Molecules 23, no. 9 (2018): 2248. http://dx.doi.org/10.3390/molecules23092248.

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Inspired by the well-established clinical evidence about the interplay between apoptotic TRAIL (tumour necrosis factor-related apoptosis-inducing ligand) mechanism and reactive oxygen species (ROS)-mediated oxidative stress, a set of novel ONC201 hybrids containing the impiridone core and one or two differently positioned ferrocenylalkyl groups were synthesised in our present work. These two types of residues have been implicated in the aforementioned mechanisms associated with cytotoxic activity. A straightforward, primary amine-based synthetic approach was used allowing the introduction of a
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Dmochowska, Barbara, Rafał Ślusarz, Jarosław Chojnacki, Justyna Samaszko-Fiertek та Janusz Madaj. "The Quaternization Reaction of 5-O-Sulfonates of Methyl 2,3-o-Isopropylidene-β-D-Ribofuranoside with Selected Heterocyclic and Aliphatic Amines". Molecules 25, № 9 (2020): 2161. http://dx.doi.org/10.3390/molecules25092161.

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The synthesis of N-((methyl 5-deoxy-2,3-O-isopropylidene-β-D-ribofuranoside)-5-yl)ammonium salts are presented. To determine the effect of the nucleophile type and outgoing group on the quaternization reaction, selected aliphatic and heterocyclic aromatic amines reacted with: methyl 2,3-O-isopropylidene-5-O-tosyl-β-D-ribofuranoside or methyl 2,3-O-isopropylidene-5-O-mesyl-β-D-ribofuranoside or methyl 2,3-O-isopropylidene-5-O-triflyl-β-D-ribofuranoside were performed on a micro scale. High-resolution 1H- and 13C-NMR spectral data for all new compounds were recorded. Additionally, the single-cry
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Hdoufane, Ismail, Imane Bjij, Mahmoud Soliman, et al. "In Silico SAR Studies of HIV-1 Inhibitors." Pharmaceuticals 11, no. 3 (2018): 69. http://dx.doi.org/10.3390/ph11030069.

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Quantitative Structure Activity Relationships (QSAR or SAR) have helped scientists to establish mathematical relationships between molecular structures and their biological activities. In the present article, SAR studies have been carried out on 89 tetrahydroimidazo[4,5,1-jk][1,4]benzodiazepine (TIBO) derivatives using different classifiers, such as support vector machines, artificial neural networks, random forests, and decision trees. The goal is to propose classification models that will be able to classify TIBO compounds into two groups: high and low inhibitors of HIV-1 reverse transcripta
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Dissertations / Theses on the topic "Heterocyclic compounds – Synthesis – Mathematical models"

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Hwang, Dae Kun 1972. "Mathematical modeling of heterocyclic amines formation in meat patties during pan frying." Thesis, McGill University, 2002. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=33778.

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The formation of heterocyclic amines (HAs) have been proven to be carcinogenic and mutagenic and these compounds have been found in cooked food such as meat, poultry, and fish. There are strong relationships between potential cancer development and HAs through intake of the cooked food.<br>The yield of HAs along with the influence of fat content and soy protein on the formation of HAs were determined during heating (as in cooking) at different temperatures using the kinetic modeling approach. The formation of HAs is dependent on temperature, time, fat content, and soy protein. The increase of
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Lizano, Gispert Enric. "Design and synthesis of heterocyclic compounds potentially antitumor by enzymatic inhibition." Doctoral thesis, Universitat de Barcelona, 2020. http://hdl.handle.net/10803/671158.

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This doctoral thesis is focused on the investigation and development of new compounds directed to different cancer and tropical diseases targets. Drug resistance, as well in cancer as in tropical diseases, is a hurdle which in the latest years it is driving the scientific community to investigate in new diagnostic techniques, to improve in genomic sequencing, as well as to develop new treatments through the synthesis of new small molecules, for example. The physiologic framework, that drives to resistance, is complex and for this reason, personalized treatments is an increasing concept and ne
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Saxena, Siddharth Shanker. "Magnetic and superconducting phases of heavy fermion compounds." Thesis, University of Cambridge, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.323011.

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Books on the topic "Heterocyclic compounds – Synthesis – Mathematical models"

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N, Dʹi͡a︡chkov P., ed. Heteroligand molecular systems: Bonding, shapes and isomer stabilities. Taylor & Francis, 2002.

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The algebra of organic synthesis: Green metrics, design strategy, route selection, and optimization. CRC Press, 2012.

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B, Christoph, ed. Organic synthesis, reactions, and mechanisms. Springer-Verlag, 1987.

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Jaroslav, Koča, ed. Synthon model of organic chemistry and synthesis design. Springer-Verlag, 1989.

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Levin, A. A., and P. N. D'yachkov. Heteroligand Molecular Systems: Bonding, Shapes and Isomer Stabilities. CRC, 2001.

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6

Problemnye regiony resursnogo tipa: Azi︠a︡tskai︠a︡ chastʹ Rossiĭ. SO RAN, 2005.

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V, Bazarov B., ред. Problemnye regiony resursnogo tipa: Aziatskai︠a︡ chastʹ Rossii. Izd-vo Sibirskogo otd-nii︠a︡ Rossiĭskoĭ akademii nauk, 2005.

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