2024
Malinowska, Magdalena A.; Ferrier, Manon; Sharafan, Marta; Szopa, Agnieszka; Gémin, Marin-Pierre; Miastkowska, Małgorzata; Bialik-Wąs, Katarzyna; Dziki, Anna; Sikora, Elżbieta; Kiszka, Adam; Hano, Christophe; Giglioli-Guivarc’h, Nathalie; Lanoue, Arnaud
The cosmetic potential evaluation of the fungus resistant grapevine extracts using metabolomic approaches Journal Article
In: Sci. Rad., pp. 187–211, 2024, ISSN: 2956-4808.
@article{Malinowska2024,
title = {The cosmetic potential evaluation of the fungus resistant grapevine extracts using metabolomic approaches},
author = {Magdalena A. Malinowska and Manon Ferrier and Marta Sharafan and Agnieszka Szopa and Marin-Pierre Gémin and Małgorzata Miastkowska and Katarzyna Bialik-Wąs and Anna Dziki and Elżbieta Sikora and Adam Kiszka and Christophe Hano and Nathalie Giglioli-Guivarc’h and Arnaud Lanoue},
doi = {10.58332/scirad2024v3i3a03},
issn = {2956-4808},
year = {2024},
date = {2024-09-12},
journal = {Sci. Rad.},
pages = {187--211},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {Natural product effectiveness is an important criterion to develop
new active ingredients for cosmetic industry. Plant metabolites
exhibit wide range of natural activities and in recent years, there has
been a growing interest in the development of plant-based cosmetic
products. The complex composition of plant extracts and their
natural variability makes it difficult to select and produce plant-based
natural ingredients with the most effective and constant biological
capacity. Grapevine (Vitis vinifera L.) is known for its abundance in
bioactive polyphenols, but the quality and the quantity in
polyphenols vary depending on several parameters including the
variety, the geographical origin, the year, and the extraction
methods. In the temperate regions of Central Europe, there is
currently significant growth in the cultivation of grape varieties that
are well-suited to the humid and cool climate. Interestingly, these
fungus-resistant varieties exhibit a specific metabolic composition
associated to climatic adaptation, paving the way for the
development of new active ingredients for skincare. Metabolomics
aims to detect, identify and quantify small molecules in living system
in response to environmental changes. In this literature review, we
present the advantage of metabolomic approaches to evaluate the
cosmetic potential of fungus-resistant varieties cultivated in Central
and Eastern Europe.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Natural product effectiveness is an important criterion to develop
new active ingredients for cosmetic industry. Plant metabolites
exhibit wide range of natural activities and in recent years, there has
been a growing interest in the development of plant-based cosmetic
products. The complex composition of plant extracts and their
natural variability makes it difficult to select and produce plant-based
natural ingredients with the most effective and constant biological
capacity. Grapevine (Vitis vinifera L.) is known for its abundance in
bioactive polyphenols, but the quality and the quantity in
polyphenols vary depending on several parameters including the
variety, the geographical origin, the year, and the extraction
methods. In the temperate regions of Central Europe, there is
currently significant growth in the cultivation of grape varieties that
are well-suited to the humid and cool climate. Interestingly, these
fungus-resistant varieties exhibit a specific metabolic composition
associated to climatic adaptation, paving the way for the
development of new active ingredients for skincare. Metabolomics
aims to detect, identify and quantify small molecules in living system
in response to environmental changes. In this literature review, we
present the advantage of metabolomic approaches to evaluate the
cosmetic potential of fungus-resistant varieties cultivated in Central
and Eastern Europe.
Domingo, Luis R.
1999 – 2024, a Quarter Century of the Parr’s Electrophilicity ω Index Journal Article
In: Sci. Rad., pp. 157–186, 2024, ISSN: 2956-4808.
@article{Domingo2024,
title = {1999 – 2024, a Quarter Century of the Parr’s Electrophilicity ω Index},
author = {Luis R. Domingo},
doi = {10.58332/scirad2024v3i3a02},
issn = {2956-4808},
year = {2024},
date = {2024-09-03},
journal = {Sci. Rad.},
pages = {157--186},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {In 1999, Robert G. Parr introduced the electrophilicity w index as a measure of the electronic stabilization of a molecule when it acquires an additional amount of electron density. Numerous theoretical studies over the last 25 years have demonstrated the usefulness of this index in the study of polar reactions. The present MEDT study reinforces the relevance of Parr’s electrophilicity w index as a quantitative measure of the electrophilic character of species involved in a polar reaction.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In 1999, Robert G. Parr introduced the electrophilicity w index as a measure of the electronic stabilization of a molecule when it acquires an additional amount of electron density. Numerous theoretical studies over the last 25 years have demonstrated the usefulness of this index in the study of polar reactions. The present MEDT study reinforces the relevance of Parr’s electrophilicity w index as a quantitative measure of the electrophilic character of species involved in a polar reaction.
Abdelhafeez, Islam A.; El-Tohamy, Sayed A.; El-Dars, Farida M. S.
Enhanced phytoaccumulation dynamics of chromium and nickel from spent engine oil-contaminated soil amended with biomass-derived bulking agent Journal Article
In: Sci. Rad., vol. 3, no. 3, pp. 142–156, 2024, ISSN: 2956-4808.
@article{Abdelhafeez2024,
title = {Enhanced phytoaccumulation dynamics of chromium and nickel from spent engine oil-contaminated soil amended with biomass-derived bulking agent},
author = {Islam A. Abdelhafeez and Sayed A. El-Tohamy and Farida M.S. El-Dars},
doi = {10.58332/scirad2024v3i3a01},
issn = {2956-4808},
year = {2024},
date = {2024-08-15},
journal = {Sci. Rad.},
volume = {3},
number = {3},
pages = {142--156},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {Phytoremediation is a promising sustainable approach for the remediation of soil contaminated with inorganic and organic pollutants. In the lands affected by petroleum-derived compounds, their massive toxicity towards the plants, however, hinders the efficacy of the phytoremediation process. Hence, adopting a green approach to enhance phytoremediation is highly recommended and desirable. Here, sugarcane bagasse (SCB) was used as a bulking agent enhancing the hyperaccumulation of heavy metals chromium (Cr) and nickel (Ni) by sunflower plants from 0.5%, 2.5%, and 5% oil-contaminated soil. Accumulation of Cr and Ni was observed higher in roots than shoots. The bioconcentration factor (BCF) of Cr and Ni was higher in soil amended with SCB than that without amended. The highest rate of Ni and Cr uptake was also noticed in all treatments amended with the bulking agent except in the case of 0.5% oil-contaminated soil without SCB. Overall, the phytoremediation of oil-contaminated soil is most effective when it is amended with SCB as a bulking agent which provides water and air well to plants, improving plant growth and then increasing phytoaccumulation of heavy metals.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Phytoremediation is a promising sustainable approach for the remediation of soil contaminated with inorganic and organic pollutants. In the lands affected by petroleum-derived compounds, their massive toxicity towards the plants, however, hinders the efficacy of the phytoremediation process. Hence, adopting a green approach to enhance phytoremediation is highly recommended and desirable. Here, sugarcane bagasse (SCB) was used as a bulking agent enhancing the hyperaccumulation of heavy metals chromium (Cr) and nickel (Ni) by sunflower plants from 0.5%, 2.5%, and 5% oil-contaminated soil. Accumulation of Cr and Ni was observed higher in roots than shoots. The bioconcentration factor (BCF) of Cr and Ni was higher in soil amended with SCB than that without amended. The highest rate of Ni and Cr uptake was also noticed in all treatments amended with the bulking agent except in the case of 0.5% oil-contaminated soil without SCB. Overall, the phytoremediation of oil-contaminated soil is most effective when it is amended with SCB as a bulking agent which provides water and air well to plants, improving plant growth and then increasing phytoaccumulation of heavy metals.
Kosylo, Natalia; Hotynchan, Andrii; Skrypska, Olha; Horak, Yuriy; Obushak, Mykola
Synthesis and prediction of toxicological and pharmacological properties of Schiff bases containing arylfuran and pyrazole moiety Journal Article
In: Sci. Rad., vol. 3, no. 2, pp. 63–72, 2024, ISSN: 2956-4808.
@article{Kosylo2024,
title = {Synthesis and prediction of toxicological and pharmacological properties of Schiff bases containing arylfuran and pyrazole moiety},
author = {Natalia Kosylo and Andrii Hotynchan and Olha Skrypska and Yuriy Horak and Mykola Obushak},
doi = {10.58332/scirad2024v3i2a01},
issn = {2956-4808},
year = {2024},
date = {2024-05-01},
journal = {Sci. Rad.},
volume = {3},
number = {2},
pages = {63--72},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {A series of new azomethines with pyrazole and arylfuran fragments – 4-[{(5-Arylfuran-2-yl)methylene}amino]-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one – are synthesized by the condensation of 4-aminoantipyrine and 5-arylfurfural using a Monowave 50 synthesis reactor. The structures of the obtained compounds are confirmed with 1H NMR and IR spectroscopy.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
A series of new azomethines with pyrazole and arylfuran fragments – 4-[{(5-Arylfuran-2-yl)methylene}amino]-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one – are synthesized by the condensation of 4-aminoantipyrine and 5-arylfurfural using a Monowave 50 synthesis reactor. The structures of the obtained compounds are confirmed with 1H NMR and IR spectroscopy.
Gassim, Hani Bushra Mohamed; Hassan, Afaf Mahmoud; Abadi, Ragaa Satti Mohamed; Mustafa, Yasir A. A.
Phytochemical constituents and antioxidant activity of Ricinus communis Linn leaf and seeds extracts Journal Article
In: Sci. Rad., vol. 3, no. 2, pp. 74–88, 2024, ISSN: 2956-4808.
@article{Gassim2024,
title = {Phytochemical constituents and antioxidant activity of Ricinus communis Linn leaf and seeds extracts},
author = {Hani Bushra Mohamed Gassim and Afaf Mahmoud Hassan and Ragaa Satti Mohamed Abadi and Yasir A. A. Mustafa},
doi = {10.58332/scirad2024v3i2a02},
issn = {2956-4808},
year = {2024},
date = {2024-05-01},
journal = {Sci. Rad.},
volume = {3},
number = {2},
pages = {74--88},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {The study investigates phytochemicals and antioxidant potential of leaf and seeds extracts of Ricinus communis L. Ricinus communis L. commonly known as castor plant belongs to the family Euphorbiacea. Phytochemical screening showed that both seeds and leaves of Ricinus communis L. have various secondary metabolites such as: tannins, flavonoids, alkaloids, triterpenes and coumarins, while anthraquinones were not detected. Antioxidant potentials were assessed on the basis of radical scavenging effect of the stable 1,1-diphenyl-2-picrylhydrazil (DPPH). Leaf methanol Soxhlet extract showed the maximum antioxidant activity (85±0.01%) with IC50 value of (0.121±0.02mg/ml). Seed methanol maceration extract showed high antioxidant activity (80.7±0.01%) while petroleum ether extracts of both leaf and seeds showed no antioxidant activity. Spectroscopic analysis using GC-MS of the methanol maceration extract of leaf showed the presence of various compounds such as n-hexadecanoic acid with the highest peak area 22.02%, 4-methoxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile with peak area 17.41%, gamonelic acid with peak area 10.40%, 2,3-dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one with peak area 4.84% and 2-pyrrolidinone with peak area 3.98%.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The study investigates phytochemicals and antioxidant potential of leaf and seeds extracts of Ricinus communis L. Ricinus communis L. commonly known as castor plant belongs to the family Euphorbiacea. Phytochemical screening showed that both seeds and leaves of Ricinus communis L. have various secondary metabolites such as: tannins, flavonoids, alkaloids, triterpenes and coumarins, while anthraquinones were not detected. Antioxidant potentials were assessed on the basis of radical scavenging effect of the stable 1,1-diphenyl-2-picrylhydrazil (DPPH). Leaf methanol Soxhlet extract showed the maximum antioxidant activity (85±0.01%) with IC50 value of (0.121±0.02mg/ml). Seed methanol maceration extract showed high antioxidant activity (80.7±0.01%) while petroleum ether extracts of both leaf and seeds showed no antioxidant activity. Spectroscopic analysis using GC-MS of the methanol maceration extract of leaf showed the presence of various compounds such as n-hexadecanoic acid with the highest peak area 22.02%, 4-methoxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile with peak area 17.41%, gamonelic acid with peak area 10.40%, 2,3-dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one with peak area 4.84% and 2-pyrrolidinone with peak area 3.98%.
Siadati, Seyyed Amir; Ebrahimzadeh, Mohammad Ali; Robati, Rezvan Yazdian; Babanezhad, Esmaeil
How to Manufacture a Drug API? A Simple Scheme from synthesis to analysis Journal Article
In: Sci. Rad., vol. 3, no. 2, pp. 89–107, 2024, ISSN: 2956-4808.
@article{Siadati2024,
title = {How to Manufacture a Drug API? A Simple Scheme from synthesis to analysis},
author = {Seyyed Amir Siadati and Mohammad Ali Ebrahimzadeh and Rezvan Yazdian Robati and Esmaeil Babanezhad},
doi = {10.58332/scirad2024v3i2a03},
issn = {2956-4808},
year = {2024},
date = {2024-05-01},
journal = {Sci. Rad.},
volume = {3},
number = {2},
pages = {89--107},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {Simply, production of a drug needs two main steps; the first step is the chemical synthesis, and the second one is the pharmaceutical analysis. At the first step, the desired drug must be synthesized via the lowest possible production cost. The synthesis scheme must be designed to proceed the reaction with the highest yield, cheapest solvents, and mildest possible conditions. It should also be user friendly (for operators of the production unit), as fast as possible, with lower steps leading to a highly pure active pharmaceutical ingredient (API). The pharmaceutical analysis step contains a series of the main analytical tests such as instrumental (HPLC, GC, XRD, and …), as well as physicochemical ones (like solubility, ash, heavy metals, …). These tests determine the quality of an API for being applied in the finish line formulation of a drug.
In the present paper, we have simply described the two main steps for manufacturing a drug API which contains the synthesis step as well as the pharmaceutical analytical part. Also, some key notes for drug synthesis step will be presented.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Simply, production of a drug needs two main steps; the first step is the chemical synthesis, and the second one is the pharmaceutical analysis. At the first step, the desired drug must be synthesized via the lowest possible production cost. The synthesis scheme must be designed to proceed the reaction with the highest yield, cheapest solvents, and mildest possible conditions. It should also be user friendly (for operators of the production unit), as fast as possible, with lower steps leading to a highly pure active pharmaceutical ingredient (API). The pharmaceutical analysis step contains a series of the main analytical tests such as instrumental (HPLC, GC, XRD, and …), as well as physicochemical ones (like solubility, ash, heavy metals, …). These tests determine the quality of an API for being applied in the finish line formulation of a drug.
In the present paper, we have simply described the two main steps for manufacturing a drug API which contains the synthesis step as well as the pharmaceutical analytical part. Also, some key notes for drug synthesis step will be presented.
Dresler, Ewa; Sadowski, Mikołaj; Demchuk, Oleg M.
Reactivity of the ethyl oleate in the [3+2] cycloaddition to arylonitrile N-oxide: a reexamination Journal Article
In: Sci. Rad., vol. 3, no. 2, pp. 108–121, 2024, ISSN: 2956-4808.
@article{Dresler2024,
title = {Reactivity of the ethyl oleate in the [3+2] cycloaddition to arylonitrile N-oxide: a reexamination},
author = {Ewa Dresler and Mikołaj Sadowski and Oleg M. Demchuk},
doi = {10.58332/scirad2024v3i2a04},
issn = {2956-4808},
year = {2024},
date = {2024-05-01},
journal = {Sci. Rad.},
volume = {3},
number = {2},
pages = {108--121},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {The course of the reactions between ethyl oleate and aromatic nitrile N-oxides was reexamined under the laboratory conditions. The reaction course was explained on the basis of the DFT quantumchemical calculations. It was found that independently of the reaction protocol, in any case the expected 2-isoxazolines are not formed. Instead of this, respective diarylfuroxanes were isolated from post-reaction mixtures.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The course of the reactions between ethyl oleate and aromatic nitrile N-oxides was reexamined under the laboratory conditions. The reaction course was explained on the basis of the DFT quantumchemical calculations. It was found that independently of the reaction protocol, in any case the expected 2-isoxazolines are not formed. Instead of this, respective diarylfuroxanes were isolated from post-reaction mixtures.
Elabbar, Fakhri; Alasply, Abdulsalam
Phytochemical analysis and the first report of decyl gallate and 4-ethoxycoumarin from marine seagrass Posidonia oceanica collected from Benghazi beach Libya Journal Article
In: Sci. Rad., vol. 3, no. 2, pp. 122–141, 2024, ISSN: 2956-4808.
@article{Elabbar2024,
title = {Phytochemical analysis and the first report of decyl gallate and 4-ethoxycoumarin from marine seagrass Posidonia oceanica collected from Benghazi beach Libya},
author = {Fakhri Elabbar and Abdulsalam Alasply},
doi = {10.58332/scirad2024v3i2a05},
issn = {2956-4808},
year = {2024},
date = {2024-05-01},
journal = {Sci. Rad.},
volume = {3},
number = {2},
pages = {122--141},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {The goal of this research is to examine the chemical composition of the plant and identify the phytochemical constituents of the endemic seagrass species in the Mediterranean Sea, Posidonia oceanica, which has historically been used for a variety of purposes. After doing chemical screening, the existence of triterpenoid and phenolic proteins was discovered. Using preparative thin-layer chromatography and flash column chromatography techniques, seven phenolic compounds were isolated from the methanolic extracts of several plant parts. Namely decyl gallate, sinapinic acid, alpha-methyl cinnamic acid, acetosyringone, and chlorogenic acid from leaves, 4-ethoxycoumarin from rhizomes, and syringic acid from roots. The structures of these compounds were elucidated using spectroscopic methods such as ‘H and 13C-NMR. The spectra were analyzed and visualized using Mnova software and compared with standard spectra from the Willy spectra database, biological magnetic resonance data bank, and chemical book. This is the first report of decyl gallate and 4-ethoxycoumarin from the plant. This study contributes to the understanding of the phytochemical profile of Posidonia oceanica and provides valuable insights into its potential applications in various fields, including medicine, agriculture, and industry.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The goal of this research is to examine the chemical composition of the plant and identify the phytochemical constituents of the endemic seagrass species in the Mediterranean Sea, Posidonia oceanica, which has historically been used for a variety of purposes. After doing chemical screening, the existence of triterpenoid and phenolic proteins was discovered. Using preparative thin-layer chromatography and flash column chromatography techniques, seven phenolic compounds were isolated from the methanolic extracts of several plant parts. Namely decyl gallate, sinapinic acid, alpha-methyl cinnamic acid, acetosyringone, and chlorogenic acid from leaves, 4-ethoxycoumarin from rhizomes, and syringic acid from roots. The structures of these compounds were elucidated using spectroscopic methods such as ‘H and 13C-NMR. The spectra were analyzed and visualized using Mnova software and compared with standard spectra from the Willy spectra database, biological magnetic resonance data bank, and chemical book. This is the first report of decyl gallate and 4-ethoxycoumarin from the plant. This study contributes to the understanding of the phytochemical profile of Posidonia oceanica and provides valuable insights into its potential applications in various fields, including medicine, agriculture, and industry.
2023
Payab, Meghdad; Maleki, Fatemeh Yousefnezhad; Sheikhloie, Hossein; Baghban, Ali
Use of magnetic nanoparticles in an Ionic liquid (BMIM-PF6) based vortex‐assisted dispersive liquid–liquid microextraction (VSLLME) for measuring the traces amounts of cadmium in environmental, biological and nutritional samples Journal Article
In: Sci. Rad., vol. 2, iss. 4, no. 5, pp. 359–377, 2023, ISSN: 2956-4808.
@article{Payab2023,
title = {Use of magnetic nanoparticles in an Ionic liquid (BMIM-PF6) based vortex‐assisted dispersive liquid–liquid microextraction (VSLLME) for measuring the traces amounts of cadmium in environmental, biological and nutritional samples},
author = {Meghdad Payab and Fatemeh Yousefnezhad Maleki and Hossein Sheikhloie and Ali Baghban},
url = {https://sci-rad.com/scirad2023v2i4a05/},
doi = {10.58332/scirad2023v2i4a05},
issn = {2956-4808},
year = {2023},
date = {2023-12-29},
urldate = {2023-12-29},
journal = {Sci. Rad.},
volume = {2},
number = {5},
issue = {4},
pages = {359--377},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {<jats:p>In the present project, the magnetic nanoparticles were used in a type of an ionic liquid based micro-extraction to measure trace amounts of cadmium in different real samples containing environmental water samples, saliva and human hair. In the optimum condition, the recovery percentages for the real sample were about 94.5% to 101.3%, showing the designed method is suitable to be used for analyzing the real environmental and biological samples. The main parameters were evaluated and optimized as follows: pH was 2.5, the volume of ionic liquid was 150 µl, the amount of Fe3O4 magnetic nanoparticles was 50mg, the volume of the complexing agent was 12 µl, and the vortex time was 1 min and 2 min for ionic liquid, and magnetic nanoparticle distribution steps, respectively. Also, the volume of the medium was 10 to 20 ml.</jats:p>},
key = {VSLLME, Cadmium, Vortex-assisted, Heavy metal, real sample},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
<jats:p>In the present project, the magnetic nanoparticles were used in a type of an ionic liquid based micro-extraction to measure trace amounts of cadmium in different real samples containing environmental water samples, saliva and human hair. In the optimum condition, the recovery percentages for the real sample were about 94.5% to 101.3%, showing the designed method is suitable to be used for analyzing the real environmental and biological samples. The main parameters were evaluated and optimized as follows: pH was 2.5, the volume of ionic liquid was 150 µl, the amount of Fe3O4 magnetic nanoparticles was 50mg, the volume of the complexing agent was 12 µl, and the vortex time was 1 min and 2 min for ionic liquid, and magnetic nanoparticle distribution steps, respectively. Also, the volume of the medium was 10 to 20 ml.</jats:p>
Diichuk, Volodymyr; Diichuk, Iryna
Thermal treatment effect on the particle size distribution of alkaline earth metals hydroxyapatite Journal Article
In: Sci. Rad., vol. 2, no. 4, pp. 309–318, 2023, ISSN: 2956-4808.
@article{Diichuk2023,
title = {Thermal treatment effect on the particle size distribution of alkaline earth metals hydroxyapatite},
author = {Volodymyr Diichuk and Iryna Diichuk},
doi = {10.58332/scirad2023v2i4a01},
issn = {2956-4808},
year = {2023},
date = {2023-10-01},
journal = {Sci. Rad.},
volume = {2},
number = {4},
pages = {309--318},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {Hydroxyapatites of certain alkaline earth metals were synthesised, and their phase composition was determined using X-ray phase analysis. Thermal modification of the studied compounds was performed at temperatures not exceeding 800°C. The laser diffraction method determined the size distribution of the samples subjected to thermal treatment. It was found that the mean particle size ranged from 5,48±1,28 to 126,71±3,68 μm. It has been demonstrated that particle aggregation and fragmentation processes are possible depending on the synthesised compounds' qualitative and quantitative phase composition and the modification temperature.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Hydroxyapatites of certain alkaline earth metals were synthesised, and their phase composition was determined using X-ray phase analysis. Thermal modification of the studied compounds was performed at temperatures not exceeding 800°C. The laser diffraction method determined the size distribution of the samples subjected to thermal treatment. It was found that the mean particle size ranged from 5,48±1,28 to 126,71±3,68 μm. It has been demonstrated that particle aggregation and fragmentation processes are possible depending on the synthesised compounds' qualitative and quantitative phase composition and the modification temperature.
Sadowski, Mikołaj; Mudyna, Agnieszka; Knap, Klaudia; Demchuk, Oleg M.; Łapczuk, Agnieszka
Synthesis of (Z)-N-aryl-C-(pyrid-3-yl)-nitrones Journal Article
In: Sci. Rad., vol. 2, iss. 4, no. 2, pp. 319–324, 2023, ISSN: 2956-4808.
@article{Sadowski2023,
title = {Synthesis of (Z)-N-aryl-C-(pyrid-3-yl)-nitrones},
author = {Mikołaj Sadowski and Agnieszka Mudyna and Klaudia Knap and Oleg M. Demchuk and Agnieszka Łapczuk},
doi = {10.58332/scirad2023v2i4a02},
issn = {2956-4808},
year = {2023},
date = {2023-10-01},
urldate = {2023-10-01},
journal = {Sci. Rad.},
volume = {2},
number = {2},
issue = {4},
pages = {319--324},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {In this work, new nitrones, derived from nicotinaldehyde and N-aryl-N-hydroxylamines are described, and methods for their synthesis, and purification are presented. Spectral characterisation of said nitrones is also presented.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In this work, new nitrones, derived from nicotinaldehyde and N-aryl-N-hydroxylamines are described, and methods for their synthesis, and purification are presented. Spectral characterisation of said nitrones is also presented.
Salah, Salsabeel; Sami, Najat; Ali, Sarah; Khalid, Teemah-Alrahman; Alnajjar, Radwan
Natural Products as Potential Inhibitors of FLT3 for Acute Myeloid Leukemia: HTVS, Docking, and Molecular Dynamic Simulation Journal Article
In: Sci. Rad., vol. 2, iss. 4, no. 3, pp. 325–346, 2023, ISSN: 2956-4808.
@article{Salah2023,
title = {Natural Products as Potential Inhibitors of FLT3 for Acute Myeloid Leukemia: HTVS, Docking, and Molecular Dynamic Simulation},
author = {Salsabeel Salah and Najat Sami and Sarah Ali and Teemah-Alrahman Khalid and Radwan Alnajjar},
doi = {10.58332/scirad2023v2i4a03},
issn = {2956-4808},
year = {2023},
date = {2023-10-01},
urldate = {2023-10-01},
journal = {Sci. Rad.},
volume = {2},
number = {3},
issue = {4},
pages = {325--346},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {<jats:p>Cancer is one the most common health issues worldwide, with cancer-related mortality of 9.5 million in 2018, with an expectation to become 29.5 by 2040. Among others, acute myeloid leukemia (AML) is common among older people. FLT3 mutations are one of the most common genetic aberrations found in Acute Myeloid Leukemia and are associated with poor prognosis. Herein, we attempt to identify natural compounds as potential candidates to treat AML by targeting the FLT3 kinase domain using in silico approaches. The COCONUT database, which contains 407,270 natural compounds, was HTVS against the FLT3 kinase domain active site, and promising compounds were subject to molecular docking. Finally, frontier compounds were validated further using molecular dynamic simulation. In total, ten compounds were identified with docking scores higher than Quizartinib (-11.606 kcal/mol), with the best three compounds showing a docking score of -18.052, -15.772, and -16.767 kcal, respectively, and compound 2 showing excellent stability in molecular dynamic simulation.</jats:p>},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
<jats:p>Cancer is one the most common health issues worldwide, with cancer-related mortality of 9.5 million in 2018, with an expectation to become 29.5 by 2040. Among others, acute myeloid leukemia (AML) is common among older people. FLT3 mutations are one of the most common genetic aberrations found in Acute Myeloid Leukemia and are associated with poor prognosis. Herein, we attempt to identify natural compounds as potential candidates to treat AML by targeting the FLT3 kinase domain using in silico approaches. The COCONUT database, which contains 407,270 natural compounds, was HTVS against the FLT3 kinase domain active site, and promising compounds were subject to molecular docking. Finally, frontier compounds were validated further using molecular dynamic simulation. In total, ten compounds were identified with docking scores higher than Quizartinib (-11.606 kcal/mol), with the best three compounds showing a docking score of -18.052, -15.772, and -16.767 kcal, respectively, and compound 2 showing excellent stability in molecular dynamic simulation.</jats:p>
Drabczyk, Anna K.; Podobińska, Patrycja; Mamica, Agnieszka; Jaśkowska, Jolanta
Therapeutic nail polishes based on ciclopirox Journal Article
In: Sci. Rad., vol. 2, iss. 4, no. 4, pp. 347–358, 2023, ISSN: 2956-4808.
@article{Drabczyk2023,
title = {Therapeutic nail polishes based on ciclopirox},
author = {Anna K. Drabczyk and Patrycja Podobińska and Agnieszka Mamica and Jolanta Jaśkowska},
doi = {10.58332/scirad2023v2i4a04},
issn = {2956-4808},
year = {2023},
date = {2023-10-01},
urldate = {2023-10-01},
journal = {Sci. Rad.},
volume = {2},
number = {4},
issue = {4},
pages = {347--358},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {<jats:p>The aim of the research work was to create a nail polish formulation that would carry the therapeutic substance ciclopirox (ciclopiroxolamine), a drug with an exceptionally broad spectrum of activity, exhibiting antifungal, antibacterial, bacteriostatic and anti-inflammatory activity. The experiments conducted proved that ciclopirox can not only be released from the developed formulations when applied directly to the plate, but can also be applied to nails covered with cosmetic varnish. The amount of released active ingredient reaches the minimum inhibitory concentration for cyclopirox in Candida spp. infection. Which suggests that the formulations would be effective for fungal infections. The best results in terms of film formation were obtained for formulations that were based on PVP. The highest released drug concentration occurred with formulation No. 3 and was 4.47 (mg/10ml) after 24 hours.</jats:p>},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
<jats:p>The aim of the research work was to create a nail polish formulation that would carry the therapeutic substance ciclopirox (ciclopiroxolamine), a drug with an exceptionally broad spectrum of activity, exhibiting antifungal, antibacterial, bacteriostatic and anti-inflammatory activity. The experiments conducted proved that ciclopirox can not only be released from the developed formulations when applied directly to the plate, but can also be applied to nails covered with cosmetic varnish. The amount of released active ingredient reaches the minimum inhibitory concentration for cyclopirox in Candida spp. infection. Which suggests that the formulations would be effective for fungal infections. The best results in terms of film formation were obtained for formulations that were based on PVP. The highest released drug concentration occurred with formulation No. 3 and was 4.47 (mg/10ml) after 24 hours.</jats:p>
Diichuk, Volodymyr; Diichuk, Iryna
Thermal treatment effect on the particle size distribution of alkaline earth metals hydroxyapatite Journal Article
In: Sci. Rad., vol. 2, no. 4, pp. 309–318, 2023, ISSN: 2956-4808.
@article{Diichuk2023b,
title = {Thermal treatment effect on the particle size distribution of alkaline earth metals hydroxyapatite},
author = {Volodymyr Diichuk and Iryna Diichuk},
doi = {10.58332/scirad2023v2i4a01},
issn = {2956-4808},
year = {2023},
date = {2023-10-01},
journal = {Sci. Rad.},
volume = {2},
number = {4},
pages = {309--318},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {Hydroxyapatites of certain alkaline earth metals were synthesised, and their phase composition was determined using X-ray phase analysis. Thermal modification of the studied compounds was performed at temperatures not exceeding 800°C. The laser diffraction method determined the size distribution of the samples subjected to thermal treatment. It was found that the mean particle size ranged from 5,48±1,28 to 126,71±3,68 μm. It has been demonstrated that particle aggregation and fragmentation processes are possible depending on the synthesised compounds' qualitative and quantitative phase composition and the modification temperature.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Hydroxyapatites of certain alkaline earth metals were synthesised, and their phase composition was determined using X-ray phase analysis. Thermal modification of the studied compounds was performed at temperatures not exceeding 800°C. The laser diffraction method determined the size distribution of the samples subjected to thermal treatment. It was found that the mean particle size ranged from 5,48±1,28 to 126,71±3,68 μm. It has been demonstrated that particle aggregation and fragmentation processes are possible depending on the synthesised compounds' qualitative and quantitative phase composition and the modification temperature.
Sadowski, Mikołaj; Mudyna, Agnieszka; Knap, Klaudia; Demchuk, Oleg M.; Łapczuk, Agnieszka
Synthesis of (Z)-N-aryl-C-(pyrid-3-yl)-nitrones Journal Article
In: Sci. Rad., vol. 2, no. 4, pp. 319–324, 2023, ISSN: 2956-4808.
@article{Sadowski2023b,
title = {Synthesis of (Z)-N-aryl-C-(pyrid-3-yl)-nitrones},
author = {Mikołaj Sadowski and Agnieszka Mudyna and Klaudia Knap and Oleg M. Demchuk and Agnieszka Łapczuk},
doi = {10.58332/scirad2023v2i4a02},
issn = {2956-4808},
year = {2023},
date = {2023-10-01},
journal = {Sci. Rad.},
volume = {2},
number = {4},
pages = {319--324},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {In this work, new nitrones, derived from nicotinaldehyde and N-aryl-N-hydroxylamines are described, and methods for their synthesis, and purification are presented. Spectral characterisation of said nitrones is also presented.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In this work, new nitrones, derived from nicotinaldehyde and N-aryl-N-hydroxylamines are described, and methods for their synthesis, and purification are presented. Spectral characterisation of said nitrones is also presented.
Salah, Salsabeel; Sami, Najat; Ali, Sarah; Khalid, Teemah-Alrahman; Alnajjar, Radwan
Natural Products as Potential Inhibitors of FLT3 for Acute Myeloid Leukemia: HTVS, Docking, and Molecular Dynamic Simulation Journal Article
In: Sci. Rad., vol. 2, no. 4, pp. 325–346, 2023, ISSN: 2956-4808.
@article{Salah2023b,
title = {Natural Products as Potential Inhibitors of FLT3 for Acute Myeloid Leukemia: HTVS, Docking, and Molecular Dynamic Simulation},
author = {Salsabeel Salah and Najat Sami and Sarah Ali and Teemah-Alrahman Khalid and Radwan Alnajjar},
doi = {10.58332/scirad2023v2i4a03},
issn = {2956-4808},
year = {2023},
date = {2023-10-01},
journal = {Sci. Rad.},
volume = {2},
number = {4},
pages = {325--346},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {Cancer is one the most common health issues worldwide, with cancer-related mortality of 9.5 million in 2018, with an expectation to become 29.5 by 2040. Among others, acute myeloid leukemia (AML) is common among older people. FLT3 mutations are one of the most common genetic aberrations found in Acute Myeloid Leukemia and are associated with poor prognosis. Herein, we attempt to identify natural compounds as potential candidates to treat AML by targeting the FLT3 kinase domain using in silico approaches. The COCONUT database, which contains 407,270 natural compounds, was HTVS against the FLT3 kinase domain active site, and promising compounds were subject to molecular docking. Finally, frontier compounds were validated further using molecular dynamic simulation. In total, ten compounds were identified with docking scores higher than Quizartinib (-11.606 kcal/mol), with the best three compounds showing a docking score of -18.052, -15.772, and -16.767 kcal, respectively, and compound 2 showing excellent stability in molecular dynamic simulation.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Cancer is one the most common health issues worldwide, with cancer-related mortality of 9.5 million in 2018, with an expectation to become 29.5 by 2040. Among others, acute myeloid leukemia (AML) is common among older people. FLT3 mutations are one of the most common genetic aberrations found in Acute Myeloid Leukemia and are associated with poor prognosis. Herein, we attempt to identify natural compounds as potential candidates to treat AML by targeting the FLT3 kinase domain using in silico approaches. The COCONUT database, which contains 407,270 natural compounds, was HTVS against the FLT3 kinase domain active site, and promising compounds were subject to molecular docking. Finally, frontier compounds were validated further using molecular dynamic simulation. In total, ten compounds were identified with docking scores higher than Quizartinib (-11.606 kcal/mol), with the best three compounds showing a docking score of -18.052, -15.772, and -16.767 kcal, respectively, and compound 2 showing excellent stability in molecular dynamic simulation.
Drabczyk, Anna K.; Podobińska, Patrycja; Mamica, Agnieszka; Jaśkowska, Jolanta
Therapeutic nail polishes based on ciclopirox Journal Article
In: Sci. Rad., vol. 2, no. 4, pp. 347–358, 2023, ISSN: 2956-4808.
@article{Drabczyk2023b,
title = {Therapeutic nail polishes based on ciclopirox},
author = {Anna K. Drabczyk and Patrycja Podobińska and Agnieszka Mamica and Jolanta Jaśkowska},
doi = {10.58332/scirad2023v2i4a04},
issn = {2956-4808},
year = {2023},
date = {2023-10-01},
journal = {Sci. Rad.},
volume = {2},
number = {4},
pages = {347--358},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {The aim of the research work was to create a nail polish formulation that would carry the therapeutic substance ciclopirox (ciclopiroxolamine), a drug with an exceptionally broad spectrum of activity, exhibiting antifungal, antibacterial, bacteriostatic and anti-inflammatory activity. The experiments conducted proved that ciclopirox can not only be released from the developed formulations when applied directly to the plate, but can also be applied to nails covered with cosmetic varnish. The amount of released active ingredient reaches the minimum inhibitory concentration for cyclopirox in Candida spp. infection. Which suggests that the formulations would be effective for fungal infections. The best results in terms of film formation were obtained for formulations that were based on PVP. The highest released drug concentration occurred with formulation No. 3 and was 4.47 (mg/10ml) after 24 hours.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The aim of the research work was to create a nail polish formulation that would carry the therapeutic substance ciclopirox (ciclopiroxolamine), a drug with an exceptionally broad spectrum of activity, exhibiting antifungal, antibacterial, bacteriostatic and anti-inflammatory activity. The experiments conducted proved that ciclopirox can not only be released from the developed formulations when applied directly to the plate, but can also be applied to nails covered with cosmetic varnish. The amount of released active ingredient reaches the minimum inhibitory concentration for cyclopirox in Candida spp. infection. Which suggests that the formulations would be effective for fungal infections. The best results in terms of film formation were obtained for formulations that were based on PVP. The highest released drug concentration occurred with formulation No. 3 and was 4.47 (mg/10ml) after 24 hours.
Payab, Meghdad; Maleki, Fatemeh Yousefnezhad; Sheikhloie, Hossein; Baghban, Ali
Use of magnetic nanoparticles in an Ionic liquid (BMIM-PF6) based vortex‐assisted dispersive liquid–liquid microextraction (VSLLME) for measuring the traces amounts of cadmium in environmental, biological and nutritional samples Journal Article
In: Sci. Rad., vol. 2, no. 4, pp. 359–377, 2023, ISSN: 2956-4808.
@article{Payab2023b,
title = {Use of magnetic nanoparticles in an Ionic liquid (BMIM-PF6) based vortex‐assisted dispersive liquid–liquid microextraction (VSLLME) for measuring the traces amounts of cadmium in environmental, biological and nutritional samples},
author = {Meghdad Payab and Fatemeh Yousefnezhad Maleki and Hossein Sheikhloie and Ali Baghban},
doi = {10.58332/scirad2023v2i4a05},
issn = {2956-4808},
year = {2023},
date = {2023-10-01},
journal = {Sci. Rad.},
volume = {2},
number = {4},
pages = {359--377},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {In the present project, the magnetic nanoparticles were used in a type of an ionic liquid based micro-extraction to measure trace amounts of cadmium in different real samples containing environmental water samples, saliva and human hair. In the optimum condition, the recovery percentages for the real sample were about 94.5% to 101.3%, showing the designed method is suitable to be used for analyzing the real environmental and biological samples. The main parameters were evaluated and optimized as follows: pH was 2.5, the volume of ionic liquid was 150 µl, the amount of Fe3O4 magnetic nanoparticles was 50mg, the volume of the complexing agent was 12 µl, and the vortex time was 1 min and 2 min for ionic liquid, and magnetic nanoparticle distribution steps, respectively. Also, the volume of the medium was 10 to 20 ml.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In the present project, the magnetic nanoparticles were used in a type of an ionic liquid based micro-extraction to measure trace amounts of cadmium in different real samples containing environmental water samples, saliva and human hair. In the optimum condition, the recovery percentages for the real sample were about 94.5% to 101.3%, showing the designed method is suitable to be used for analyzing the real environmental and biological samples. The main parameters were evaluated and optimized as follows: pH was 2.5, the volume of ionic liquid was 150 µl, the amount of Fe3O4 magnetic nanoparticles was 50mg, the volume of the complexing agent was 12 µl, and the vortex time was 1 min and 2 min for ionic liquid, and magnetic nanoparticle distribution steps, respectively. Also, the volume of the medium was 10 to 20 ml.
Aitouna, Abdelhak Ouled; Barhoumi, Ali; Zeroual, Abdellah
A Mechanism Study and an Investigation of the Reason for the Stereoselectivity in the [4+2] Cycloaddition Reaction between Cyclopentadiene and Gem-substituted Ethylene Electrophiles Journal Article
In: Sci. Rad, vol. 2, no. 3, pp. 217–228, 2023.
@article{Aitouna2023,
title = {A Mechanism Study and an Investigation of the Reason for the Stereoselectivity in the [4+2] Cycloaddition Reaction between Cyclopentadiene and Gem-substituted Ethylene Electrophiles},
author = {Abdelhak Ouled Aitouna and Ali Barhoumi and Abdellah Zeroual},
doi = {10.58332/scirad2023v2i3a01},
year = {2023},
date = {2023-07-27},
urldate = {2023-07-27},
journal = {Sci. Rad},
volume = {2},
number = {3},
pages = {217--228},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {The Molecular Electron Density Theory is applied to the [4+2] cycloaddition reaction between cyclopentadiene and gem-substituted ethylene electrophiles. Calculations are made for reactions, activation energies, and reactivity indices. The results of the experiment are perfectly consistent with activation energies, which unequivocally show that this cyclization’s are is highly stereoselective, in addition, based on ELF examination, the mechanism of these [4+2] cycloadditions occurs in two phases, The mechanisms of these reactions demonstrate that the term "pericyclic reaction" is no more relevant in the 21st century and has been replaced by the term "pseudocyclic".},
key = {Pericyclic reaction, Pseudocyclic, MEDT, Cyclopentadiene, Gem-substituted ethylene electrophiles},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The Molecular Electron Density Theory is applied to the [4+2] cycloaddition reaction between cyclopentadiene and gem-substituted ethylene electrophiles. Calculations are made for reactions, activation energies, and reactivity indices. The results of the experiment are perfectly consistent with activation energies, which unequivocally show that this cyclization’s are is highly stereoselective, in addition, based on ELF examination, the mechanism of these [4+2] cycloadditions occurs in two phases, The mechanisms of these reactions demonstrate that the term "pericyclic reaction" is no more relevant in the 21st century and has been replaced by the term "pseudocyclic".
Ozimkiewicz, Wojciech; Iskra, Ewelina; Żelazowska, Renata; Lasota, Justyna; Boguszewska-Czubara, Anna
Verification of the analgesic properties of natural compounds of cannabinoid origin in Danio rerio model of nociception Journal Article
In: Sci. Rad., vol. 2, no. 3, pp. 229–246, 2023, ISSN: 2956-4808.
@article{Ozimkiewicz2023,
title = {Verification of the analgesic properties of natural compounds of cannabinoid origin in Danio rerio model of nociception},
author = {Wojciech Ozimkiewicz and Ewelina Iskra and Renata Żelazowska and Justyna Lasota and Anna Boguszewska-Czubara},
doi = {10.58332/scirad2023v2i3a02},
issn = {2956-4808},
year = {2023},
date = {2023-07-27},
journal = {Sci. Rad.},
volume = {2},
number = {3},
pages = {229--246},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {The use of Cannabis sativa in human history dates back thousands of years, with various historical and cultural applications. However, at the beginning of the 20th century, many countries enacted regulations to criminalize and restrict the use of cannabis, leading to a significant reduction in research on its medical applications. A novel approach to pain studies involves Danio rerio-based nociception models. These models use different methods to induce pain, with fish larvae often subjected to incubation in acetic acid solution, resulting in epidermal tissue damage. Nociceptive responses are then observed by tracking fish movement.Our research aimed to develop a simple and accessible Danio rerio (zebrafish) model of nociception to study the potential analgesic properties of CBD (cannabidiol) and CBG (cannabigerol) in comparison to the commonly known painkiller ibuprofen. This research seeks to contribute to our understanding of the potential therapeutic applications of cannabinoids in pain management.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The use of Cannabis sativa in human history dates back thousands of years, with various historical and cultural applications. However, at the beginning of the 20th century, many countries enacted regulations to criminalize and restrict the use of cannabis, leading to a significant reduction in research on its medical applications. A novel approach to pain studies involves Danio rerio-based nociception models. These models use different methods to induce pain, with fish larvae often subjected to incubation in acetic acid solution, resulting in epidermal tissue damage. Nociceptive responses are then observed by tracking fish movement.Our research aimed to develop a simple and accessible Danio rerio (zebrafish) model of nociception to study the potential analgesic properties of CBD (cannabidiol) and CBG (cannabigerol) in comparison to the commonly known painkiller ibuprofen. This research seeks to contribute to our understanding of the potential therapeutic applications of cannabinoids in pain management.
Kras, Jowita; Sadowski, Mikołaj; Zawadzińska, Karolina; Nagatsky, Roman; Woliński, Przemysław; Kula, Karolina; Łapczuk, Agnieszka
Thermal [3+2] cycloaddition reactions as most universal way for the effective preparation of five-membered nitrogen containing heterocycles Journal Article
In: Sci. Rad., vol. 2, no. 3, pp. 247–267, 2023, ISSN: 2956-4808.
@article{Kras2023,
title = {Thermal [3+2] cycloaddition reactions as most universal way for the effective preparation of five-membered nitrogen containing heterocycles},
author = {Jowita Kras and Mikołaj Sadowski and Karolina Zawadzińska and Roman Nagatsky and Przemysław Woliński and Karolina Kula and Agnieszka Łapczuk},
doi = {10.58332/scirad2023v2i3a03},
issn = {2956-4808},
year = {2023},
date = {2023-07-27},
journal = {Sci. Rad.},
volume = {2},
number = {3},
pages = {247--267},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {The possibility of the construction of five-membered heterocycles, including single heteroatom or systems with two, three and four heteroatoms were critically reviewed based on the recent reports regarding to the [3+2] cycloaddition reactions. Almost all of analysed reaction are realized with high regio- and stereoselectivity.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The possibility of the construction of five-membered heterocycles, including single heteroatom or systems with two, three and four heteroatoms were critically reviewed based on the recent reports regarding to the [3+2] cycloaddition reactions. Almost all of analysed reaction are realized with high regio- and stereoselectivity.
Malinowska, Magdalena Anna; Sharafan, Marta; Lanoue, Arnaud; Ferrier, Manon; Hano, Christophe; Giglioli-Guivarc’h, Nathalie; Dziki, Anna; Sikora, Elżbieta; Szopa, Agnieszka
Trans-Resveratrol as a Health Beneficial Molecule: Activity, Sources, and Methods of Analysis Journal Article
In: Sci. Rad., vol. 2, no. 3, pp. 268–294, 2023, ISSN: 2956-4808.
@article{Malinowska2023,
title = {Trans-Resveratrol as a Health Beneficial Molecule: Activity, Sources, and Methods of Analysis},
author = {Magdalena Anna Malinowska and Marta Sharafan and Arnaud Lanoue and Manon Ferrier and Christophe Hano and Nathalie Giglioli-Guivarc’h and Anna Dziki and Elżbieta Sikora and Agnieszka Szopa},
doi = {10.58332/scirad2023v2i3a04},
issn = {2956-4808},
year = {2023},
date = {2023-07-27},
journal = {Sci. Rad.},
volume = {2},
number = {3},
pages = {268--294},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {Trans-Resveratrol, a natural polyphenol found in various plant species, has gained significant attention due to its potential health-promoting properties. This article reviews the biological activities attributed to trans-Resveratrol, its dietary sources, and the analytical methods employed for its quantification. The compound antioxidant, anti-inflammatory, anticancer, cardioprotective, and neuroprotective activities are discussed in detail. Furthermore, the sources of trans-Resveratrol, including grapes, berries, and certain nuts, are examined in terms of their content variability and factors influencing production. Various chromatographic, spectroscopic, and immunoassay methods for the analysis of trans-Resveratrol in different matrices are also explored. This comprehensive overview underscores the significance of trans-Resveratrol as a potential molecule for enhancing human health and longevity.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Trans-Resveratrol, a natural polyphenol found in various plant species, has gained significant attention due to its potential health-promoting properties. This article reviews the biological activities attributed to trans-Resveratrol, its dietary sources, and the analytical methods employed for its quantification. The compound antioxidant, anti-inflammatory, anticancer, cardioprotective, and neuroprotective activities are discussed in detail. Furthermore, the sources of trans-Resveratrol, including grapes, berries, and certain nuts, are examined in terms of their content variability and factors influencing production. Various chromatographic, spectroscopic, and immunoassay methods for the analysis of trans-Resveratrol in different matrices are also explored. This comprehensive overview underscores the significance of trans-Resveratrol as a potential molecule for enhancing human health and longevity.
Hellel, Djamila; Chafaa, Fouad; Nacereddine, Abdelmalek Khorief
Synthesis of tetrahydroquinolines and quinoline derivatives through the Lewis acid catalysed Povarov reaction: A comparative study between multi step and multi-component methods Journal Article
In: Sci. Rad., vol. 2, no. 3, pp. 295–308, 2023, ISSN: 2956-4808.
@article{Hellel2023,
title = {Synthesis of tetrahydroquinolines and quinoline derivatives through the Lewis acid catalysed Povarov reaction: A comparative study between multi step and multi-component methods},
author = {Djamila Hellel and Fouad Chafaa and Abdelmalek Khorief Nacereddine},
url = {https://sci-rad.com/scirad2023v2i3a05/},
doi = {10.58332/scirad2023v2i3a05},
issn = {2956-4808},
year = {2023},
date = {2023-07-27},
urldate = {2023-07-27},
journal = {Sci. Rad.},
volume = {2},
number = {3},
pages = {295--308},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {<jats:p>In this work, we have synthesised a new disubstituted tetrahydroquinolines by the Povarov [4+2] cycloaddition reaction between imines derivatives and an electron-rich olefin such as vinyl ethers. These reactions were carried out in the presence of different acid catalysts in its two versions, multi-step reaction starting with imine synthesis and multi-component reaction in which the imine is formed in situ. The reactivity of the cycloaddition reaction is directly attributed to the nature of the reagents, the used synthetic strategy, in which the obtained yield is found in the case of multi-step reactions lower than that in the multi-component reaction one. Additionally, the multi-step reactions are faster kinetically in comparison with that of the multi-component one. The nature of the catalyst directly increases the rate and enhances the yield of the reactions.</jats:p>},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
<jats:p>In this work, we have synthesised a new disubstituted tetrahydroquinolines by the Povarov [4+2] cycloaddition reaction between imines derivatives and an electron-rich olefin such as vinyl ethers. These reactions were carried out in the presence of different acid catalysts in its two versions, multi-step reaction starting with imine synthesis and multi-component reaction in which the imine is formed in situ. The reactivity of the cycloaddition reaction is directly attributed to the nature of the reagents, the used synthetic strategy, in which the obtained yield is found in the case of multi-step reactions lower than that in the multi-component reaction one. Additionally, the multi-step reactions are faster kinetically in comparison with that of the multi-component one. The nature of the catalyst directly increases the rate and enhances the yield of the reactions.</jats:p>
Kras, Jowita; Wróblewska, Aneta; Kącka-Zych, Agnieszka
Unusual regioselectivity in [3+2] cycloaddition reactions between (E)-3-nitroacrylic acid derivatives and (Z)-C,N-diphenylimine N-oxide Journal Article
In: Sci. Rad, vol. 2, no. 2, pp. 112–117, 2023.
@article{Kras2023b,
title = {Unusual regioselectivity in [3+2] cycloaddition reactions between (E)-3-nitroacrylic acid derivatives and (Z)-C,N-diphenylimine N-oxide},
author = {Jowita Kras and Aneta Wróblewska and Agnieszka Kącka-Zych},
doi = {10.58332/scirad2023v2i2a02},
year = {2023},
date = {2023-04-19},
journal = {Sci. Rad},
volume = {2},
number = {2},
pages = {112--117},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {[3+2] cycloaddition reactions of -COOMe and -CN trans-substituted nitroethenes with (Z)-C,N-diphenylimine N-oxide were tested. For the contrast to most known nitroalkene/nitrone cycloaditions, the reactions studied realized with the formation of 5-nitroisoxazolidines},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
[3+2] cycloaddition reactions of -COOMe and -CN trans-substituted nitroethenes with (Z)-C,N-diphenylimine N-oxide were tested. For the contrast to most known nitroalkene/nitrone cycloaditions, the reactions studied realized with the formation of 5-nitroisoxazolidines
Hyjek, Kornelia; Jodłowski, Przemysław
Metal-organic frameworks for efficient drug adsorption and delivery Journal Article
In: Sci. Rad, vol. 2, no. 2, pp. 117–189, 2023.
@article{Hyjek2023,
title = {Metal-organic frameworks for efficient drug adsorption and delivery},
author = {Kornelia Hyjek and Przemysław Jodłowski},
doi = {10.58332/scirad2023v2i2a03},
year = {2023},
date = {2023-04-19},
journal = {Sci. Rad},
volume = {2},
number = {2},
pages = {117--189},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {In recent years, the number of materials used as drug delivery systems (DDS) has increased dramatically. The widespread use of DDSs has improved both the safety and efficacy of therapy. The systems currently in use pose numerous drawbacks and require proper improvements. Although many modern materials are being developed, metal-organic frameworks (MOFs) deserve special attention. Thermal and chemical stability, high specific surface area, low toxicity, high biocompatibility, and great potential for modification are the main features enabling MOFs to be used as DDS. In this review, we describe MOFs, their structure, synthesis, and characterization, as well as drug loading, drug release kinetics, and bioassays. A critical approach is to outline the disadvantages as well as the limitations of MOFs and to identify areas that need to be studied more thoroughly. Nonetheless, the prospective nature of MOFs as DDS and potential adsorbents in overdose or poisoning is presented and highlighted.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In recent years, the number of materials used as drug delivery systems (DDS) has increased dramatically. The widespread use of DDSs has improved both the safety and efficacy of therapy. The systems currently in use pose numerous drawbacks and require proper improvements. Although many modern materials are being developed, metal-organic frameworks (MOFs) deserve special attention. Thermal and chemical stability, high specific surface area, low toxicity, high biocompatibility, and great potential for modification are the main features enabling MOFs to be used as DDS. In this review, we describe MOFs, their structure, synthesis, and characterization, as well as drug loading, drug release kinetics, and bioassays. A critical approach is to outline the disadvantages as well as the limitations of MOFs and to identify areas that need to be studied more thoroughly. Nonetheless, the prospective nature of MOFs as DDS and potential adsorbents in overdose or poisoning is presented and highlighted.
Synkiewicz-Musialska, Beata
LTCC glass-ceramics based on diopside/cordierite/Al2O3 for ultra-high frequency applications Journal Article
In: Sci. Rad, vol. 2, no. 2, pp. 190–201, 2023.
@article{Synkiewicz-Musialska2023,
title = {LTCC glass-ceramics based on diopside/cordierite/Al2O3 for ultra-high frequency applications},
author = {Beata Synkiewicz-Musialska},
doi = {10.58332/scirad2023v2i2a04},
year = {2023},
date = {2023-04-19},
journal = {Sci. Rad},
volume = {2},
number = {2},
pages = {190--201},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {In this work, three glass-ceramic composites based on a commercial SiO2-B2O3-Al2O3-CaO-MgO glass and cordierite, diopside or Al2O3 were used for preparation of green tapes and low temperature cofired ceramics (LTCC) substrates. The thermal behavior, phase composition, microstructure and dielectric properties of the fabricated glass-ceramics were characterized using a heating microscope, thermal analysis, X-ray diffraction, scanning electron microscopy and time domain spectroscopy. The applicability of the developed materials for LTCC technology was demonstrated by the preparation of test multilayer substrates. The glass-ceramic substrates exhibit advantageous properties for ultra-high frequency LTCC applications, including low sintering temperatures of 900-980°C, good compatibility with commercial Ag and AgPd conductive pastes and a low dielectric permittivity of 3.5-7 at 1 THz.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
In this work, three glass-ceramic composites based on a commercial SiO2-B2O3-Al2O3-CaO-MgO glass and cordierite, diopside or Al2O3 were used for preparation of green tapes and low temperature cofired ceramics (LTCC) substrates. The thermal behavior, phase composition, microstructure and dielectric properties of the fabricated glass-ceramics were characterized using a heating microscope, thermal analysis, X-ray diffraction, scanning electron microscopy and time domain spectroscopy. The applicability of the developed materials for LTCC technology was demonstrated by the preparation of test multilayer substrates. The glass-ceramic substrates exhibit advantageous properties for ultra-high frequency LTCC applications, including low sintering temperatures of 900-980°C, good compatibility with commercial Ag and AgPd conductive pastes and a low dielectric permittivity of 3.5-7 at 1 THz.
Siadati, Seyyed Amir; Samadi, Marjan; Soheilizad, Mehdi; Firoozpour, Loghman; Payab, Meghdad; Bagherpour, Saeid; Dindari, Bahareh
A clean industrial scheme for de-ketalization of EIDD-2801 intermediate in water to give molnupiravir (MK-4482) anti-COVID-19 agent (containing its pharmaceutical analytical analysis) Journal Article
In: Sci. Rad, vol. 2, no. 2, pp. 202–216, 2023.
@article{Siadati2023,
title = {A clean industrial scheme for de-ketalization of EIDD-2801 intermediate in water to give molnupiravir (MK-4482) anti-COVID-19 agent (containing its pharmaceutical analytical analysis)},
author = {Seyyed Amir Siadati and Marjan Samadi and Mehdi Soheilizad and Loghman Firoozpour and Meghdad Payab and Saeid Bagherpour and Bahareh Dindari},
doi = {10.58332/scirad2023v2i2a05},
year = {2023},
date = {2023-04-19},
journal = {Sci. Rad},
volume = {2},
number = {2},
pages = {202--216},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {Due to the need for molnupiravir (EIDD-2801, MK-4482) anti-COVID-19 agent, in the present report, we have systematically investigated the effect of different solvents, acids (as catalyst), temperature, and other parameters which play rolls in De-ketalization process of its key intermediate. At the first glance, it might seem to be easy, but the complex nature of MK-4482 agent, and also the ultra-high purity of the crude (which is required for an active pharmaceutical ingredient (API)), make this process more complicated. As would be shown below, even a little change in the type of solvent, solvent ratio, the type or the amount of catalyst, and the temperature could directly change the reaction fate (it may lead to emergence of un-controlled impurity profile, or even it could block the reaction). However, in this work, we have been able to run this de-ketalization process only in water as the whole of the system. Here, it was observed that the high energy water molecules have been able to hydrolyze the ketal intermediate of MK-4482.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Due to the need for molnupiravir (EIDD-2801, MK-4482) anti-COVID-19 agent, in the present report, we have systematically investigated the effect of different solvents, acids (as catalyst), temperature, and other parameters which play rolls in De-ketalization process of its key intermediate. At the first glance, it might seem to be easy, but the complex nature of MK-4482 agent, and also the ultra-high purity of the crude (which is required for an active pharmaceutical ingredient (API)), make this process more complicated. As would be shown below, even a little change in the type of solvent, solvent ratio, the type or the amount of catalyst, and the temperature could directly change the reaction fate (it may lead to emergence of un-controlled impurity profile, or even it could block the reaction). However, in this work, we have been able to run this de-ketalization process only in water as the whole of the system. Here, it was observed that the high energy water molecules have been able to hydrolyze the ketal intermediate of MK-4482.
Doskaliuk, Natalia; Lukan, Yuliana; Khalavka, Yuriy
Quantum dots for temperature sensing. Journal Article
In: Sci. Rad, vol. 2, no. 2, pp. 93–111, 2023.
@article{Doskaliuk2023d,
title = {Quantum dots for temperature sensing.},
author = {Natalia Doskaliuk and Yuliana Lukan and Yuriy Khalavka},
doi = {10.58332/scirad2023v2i2a01},
year = {2023},
date = {2023-04-19},
journal = {Sci. Rad},
volume = {2},
number = {2},
pages = {93--111},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {Quantum dots are three-dimensional nanoparticles of semiconductors with typical sizes ranging from 2 to 10 nm. Due to the quantum confinement effect the energy gap increase with the size decreasing resulting in size-depended and fine-tunable optical characteristics. Besides this, the energy structure of a quantum dot with a certain size is highly sensitive to environmental conditions. These specific properties open a wide range of applications starting from optical and optoelectronic devices and ending with biosensing and life science. Temperature is one of those parameters influencing strongly on the optical properties of semiconductor nanocrystals, which make them promising materials for temperature sensing, more often using a fluorescent response. Compared to the conventional organic dyes already applied in this field, quantum dots exhibit a set of advantages, such as high quantum yield and photostability, long fluorescence lifetime, higher Stokes shift, and ability to surface functionalization with targeted organic molecules aimed to provide them biocompatibility. In this review, we briefly discuss the properties of II-VI and assumingly less toxic I-III-VI quantum dots, mechanisms of temperature-induced fluorescence response, and the feasibility of their practical application in the field of thermal sensing.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Quantum dots are three-dimensional nanoparticles of semiconductors with typical sizes ranging from 2 to 10 nm. Due to the quantum confinement effect the energy gap increase with the size decreasing resulting in size-depended and fine-tunable optical characteristics. Besides this, the energy structure of a quantum dot with a certain size is highly sensitive to environmental conditions. These specific properties open a wide range of applications starting from optical and optoelectronic devices and ending with biosensing and life science. Temperature is one of those parameters influencing strongly on the optical properties of semiconductor nanocrystals, which make them promising materials for temperature sensing, more often using a fluorescent response. Compared to the conventional organic dyes already applied in this field, quantum dots exhibit a set of advantages, such as high quantum yield and photostability, long fluorescence lifetime, higher Stokes shift, and ability to surface functionalization with targeted organic molecules aimed to provide them biocompatibility. In this review, we briefly discuss the properties of II-VI and assumingly less toxic I-III-VI quantum dots, mechanisms of temperature-induced fluorescence response, and the feasibility of their practical application in the field of thermal sensing.
Doming, Luis R.; Ríos-Gutiérrez, Mar
A Useful Classification of Organic Reactions Based on the Flux of the Electron Density Journal Article
In: Sci. Rad, vol. 2, no. 1, pp. 1–24, 2023.
@article{Doming2023,
title = {A Useful Classification of Organic Reactions Based on the Flux of the Electron Density},
author = {Luis R. Doming and Mar Ríos-Gutiérrez},
doi = {10.58332/scirad2023v2i1a01},
year = {2023},
date = {2023-02-14},
urldate = {2023-02-14},
journal = {Sci. Rad},
volume = {2},
number = {1},
pages = {1--24},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {<jats:p>A useful classification of polar organic reactions in Forward Electron Density Flux (FEDF) and Reverse Electron Density Flux (REDF), based on the unambiguously analysis of the direction of the flux of the global electron density transfer (GEDT) at the transition state structures (TSs), has been recently proposed (RSC Adv. 2020, 10, 15394) within the Molecular Electron Density Theory. Further, non-polar reactions have been classified as Null Electron Density Flux (NEDF) (Eur. J. Org. Chem. 2020, 5938). This classification allows characterizing the nucleophilic/electrophilic species participating in polar reactions. Analysis of the electronic chemical potential m, and the electrophilicity w and nucleophilicity N indices, defined within Conceptual DFT, at the ground state (GS) of the reagents also permits to establish this classification of polar reactions.</jats:p>},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
<jats:p>A useful classification of polar organic reactions in Forward Electron Density Flux (FEDF) and Reverse Electron Density Flux (REDF), based on the unambiguously analysis of the direction of the flux of the global electron density transfer (GEDT) at the transition state structures (TSs), has been recently proposed (RSC Adv. 2020, 10, 15394) within the Molecular Electron Density Theory. Further, non-polar reactions have been classified as Null Electron Density Flux (NEDF) (Eur. J. Org. Chem. 2020, 5938). This classification allows characterizing the nucleophilic/electrophilic species participating in polar reactions. Analysis of the electronic chemical potential m, and the electrophilicity w and nucleophilicity N indices, defined within Conceptual DFT, at the ground state (GS) of the reagents also permits to establish this classification of polar reactions.</jats:p>
Zawadzińska, Karolina; Gostyński, Bartłomiej
Nitrosubstituted analogs of isoxazolines and isoxazolidines: a surprising estimation of their biological activity via molecular docking. Journal Article
In: Sci. Rad, vol. 2, no. 1, pp. 25–46, 2023.
@article{Zawadzińska2023,
title = {Nitrosubstituted analogs of isoxazolines and isoxazolidines: a surprising estimation of their biological activity via molecular docking.},
author = {Karolina Zawadzińska and Bartłomiej Gostyński},
doi = {10.58332/scirad2023v2i1a02},
year = {2023},
date = {2023-02-14},
journal = {Sci. Rad},
volume = {2},
number = {1},
pages = {25--46},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {The biological activities in the field of antimicrobial application of trihalomethylated isoxazolines and isoxazolidines were investigated by means of molecular docking. In our work, we compared these two groups of heterocyclic compounds due to their strength of non-covalent binding affinity with several exemplary proteins that are known to partake in various biological processes. The obtained results show that the investigated compounds possess higher binding affinities to selected proteins than many hitherto known and applied compounds.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The biological activities in the field of antimicrobial application of trihalomethylated isoxazolines and isoxazolidines were investigated by means of molecular docking. In our work, we compared these two groups of heterocyclic compounds due to their strength of non-covalent binding affinity with several exemplary proteins that are known to partake in various biological processes. The obtained results show that the investigated compounds possess higher binding affinities to selected proteins than many hitherto known and applied compounds.
Kozak-Jagieła, Ewa; Cisek, Piotr; Ocłoń, Paweł
Cooling techniques for PV panels: A review Journal Article
In: Sci. Rad, vol. 2, no. 1, pp. 47–68, 2023.
@article{Kozak-Jagieła2023,
title = {Cooling techniques for PV panels: A review},
author = {Ewa Kozak-Jagieła and Piotr Cisek and Paweł Ocłoń},
doi = {10.58332/scirad2023v2i1a03},
year = {2023},
date = {2023-02-14},
journal = {Sci. Rad},
volume = {2},
number = {1},
pages = {47--68},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {Solar energy is considered one of the most dominant renewable energy sources. It can be used to produce electricity through PV panels. Unfortunatly, this technology is subject to limitations. High operating temperature exceeding 25°C, causes the PV panels to overheat, reducing their lifetime and efficiency. Various approaches to PV cooling are used to overcome these challenges.This paper presents a comprehensive overview of different cooling techniques to increase the performance of PV panels. Passive and active PV cooling systems are analysed using air, water, phase change materials (PCMs) and nanofluids as working agents. A review analysis showed that water cooling is better than air cooling. PCMs, which have recently been gaining in popularity, also deserve attention.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Solar energy is considered one of the most dominant renewable energy sources. It can be used to produce electricity through PV panels. Unfortunatly, this technology is subject to limitations. High operating temperature exceeding 25°C, causes the PV panels to overheat, reducing their lifetime and efficiency. Various approaches to PV cooling are used to overcome these challenges.This paper presents a comprehensive overview of different cooling techniques to increase the performance of PV panels. Passive and active PV cooling systems are analysed using air, water, phase change materials (PCMs) and nanofluids as working agents. A review analysis showed that water cooling is better than air cooling. PCMs, which have recently been gaining in popularity, also deserve attention.
Mondal, Asmita; Mohammad-Salim, Haydar A.; Acharjee, Nivedita
Unveiling substituent effects in [3+2] cycloaddition reactions of benzonitrile N-oxide and benzylideneanilines from the molecular electron density theory perspective Journal Article
In: Sci. Rad, vol. 2, no. 1, pp. 75–92, 2023.
@article{Mondal2023,
title = {Unveiling substituent effects in [3+2] cycloaddition reactions of benzonitrile N-oxide and benzylideneanilines from the molecular electron density theory perspective},
author = {Asmita Mondal and Haydar A. Mohammad-Salim and Nivedita Acharjee},
doi = {10.58332/scirad2023v2i1a05},
year = {2023},
date = {2023-02-14},
journal = {Sci. Rad},
volume = {2},
number = {1},
pages = {75--92},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {The zw- type [3+2] cycloaddition (32CA) reactions of benzonitrile N-oxide with a series of substituted benzylideneanilines have been studied within the Molecular Electron Density Theory (MEDT) at the B3LYP/6-31G(d) computational level. The presence of dimethylamino and methoxy substituents in the aromatic rings of benzylideneaniline makes the reaction more facile relative to the unsubstituted one, while the electron withdrawing nitro substituents relatively induce minimal changes in the energy profile complying with the experimentally observed reaction rates. The presence of non-bonding electron density at the nitrogen atom and the formation of pseudoradical centre at the carbon atom of benzonitrile N-oxide characterise the difference in electronic structure of the TSs relative to the reagents, while the topological analysis of the electron localization function (ELF) and the atoms-in-molecules (AIM) reveal no covalent bond formation at the early TSs. The present MEDT study analyses the experimentally observed substituent effects and complete regioselectivity in the studied 32CA reactions.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The zw- type [3+2] cycloaddition (32CA) reactions of benzonitrile N-oxide with a series of substituted benzylideneanilines have been studied within the Molecular Electron Density Theory (MEDT) at the B3LYP/6-31G(d) computational level. The presence of dimethylamino and methoxy substituents in the aromatic rings of benzylideneaniline makes the reaction more facile relative to the unsubstituted one, while the electron withdrawing nitro substituents relatively induce minimal changes in the energy profile complying with the experimentally observed reaction rates. The presence of non-bonding electron density at the nitrogen atom and the formation of pseudoradical centre at the carbon atom of benzonitrile N-oxide characterise the difference in electronic structure of the TSs relative to the reagents, while the topological analysis of the electron localization function (ELF) and the atoms-in-molecules (AIM) reveal no covalent bond formation at the early TSs. The present MEDT study analyses the experimentally observed substituent effects and complete regioselectivity in the studied 32CA reactions.
Desler, Ewa; Allnajar, Radwan; Jasiński, Radomir
Sterical index: a novel, simple tool for the interpretation of organic reaction mechanisms Journal Article
In: Sci. Rad, vol. 2, no. 1, pp. 69–74, 2023.
@article{Desler2023,
title = {Sterical index: a novel, simple tool for the interpretation of organic reaction mechanisms},
author = {Ewa Desler and Radwan Allnajar and Radomir Jasiński},
doi = {10.58332/scirad2023v2i1a06},
year = {2023},
date = {2023-02-14},
journal = {Sci. Rad},
volume = {2},
number = {1},
pages = {69--74},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {A new, simple index for the quantitative description of steric effects was proposed based on the results of DFT calculations. This effect was connected with the disturbance of synchronicity within transition states of the model Diels-Alder reaction. The obtained results offer the possibility of predicting steric effects determined by alkyl groups for a wide range of bimolecular processes.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
A new, simple index for the quantitative description of steric effects was proposed based on the results of DFT calculations. This effect was connected with the disturbance of synchronicity within transition states of the model Diels-Alder reaction. The obtained results offer the possibility of predicting steric effects determined by alkyl groups for a wide range of bimolecular processes.
2022
Baranowski, Michał; Dyksik, Mateusz; Płochocka, Paulina
2D Metal Halide Perovskites: A New Fascinating Playground for Exciton Fine Structure Investigations Journal Article
In: Sci. Rad, vol. 1, iss. 1, no. 1, pp. 3–25, 2022.
@article{Baranowski2022,
title = {2D Metal Halide Perovskites: A New Fascinating Playground for Exciton Fine Structure Investigations},
author = {Michał Baranowski and Mateusz Dyksik and Paulina Płochocka},
doi = {10.58332/v22i1a01},
year = {2022},
date = {2022-00-00},
urldate = {2022-00-00},
journal = {Sci. Rad},
volume = {1},
number = {1},
issue = {1},
pages = {3--25},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {Two-dimensional (2D) metal halide perovskites are natural quantum wells which consist of low bandgap metal-halide slabs, surrounded by organic spacers barriers. The quantum and dielectric confinements provided by the organic part lead to the extreme exciton binding energy which results in a huge enhancement of exciton fine structure in this material system. This makes 2D perovskites a fascinating playground for fundamental excitonic physics studies. In this review, we summarize the current understanding and quantification of the exciton fine structure in 2D perovskites. We discuss what is the role of exciton fine structure in the optical response of 2D perovskites and how it challenges our understanding of this fundamental excitation. Finally, we highlight some controversy related to particularly large bright-dark exciton states splitting and high efficiency of light emission from these materials. This can result from the unique synergy of excitonic and mechanical properties of 2D perovskites crystals.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Two-dimensional (2D) metal halide perovskites are natural quantum wells which consist of low bandgap metal-halide slabs, surrounded by organic spacers barriers. The quantum and dielectric confinements provided by the organic part lead to the extreme exciton binding energy which results in a huge enhancement of exciton fine structure in this material system. This makes 2D perovskites a fascinating playground for fundamental excitonic physics studies. In this review, we summarize the current understanding and quantification of the exciton fine structure in 2D perovskites. We discuss what is the role of exciton fine structure in the optical response of 2D perovskites and how it challenges our understanding of this fundamental excitation. Finally, we highlight some controversy related to particularly large bright-dark exciton states splitting and high efficiency of light emission from these materials. This can result from the unique synergy of excitonic and mechanical properties of 2D perovskites crystals.
Żmigrodzka, Magdalena; Sadowski, Mikołaj; Kras, Jowita; Desler, Ewa; Demchuk, Oleg M.; Kula, Karolina
Polar [3+2] cycloaddition between N-methyl azomethine ylide and trans-3,3,3-trichloro-1-nitroprop-1-ene Journal Article
In: Sci. Rad, vol. 1, no. 1, pp. 26–35, 2022.
@article{Żmigrodzka2022,
title = {Polar [3+2] cycloaddition between N-methyl azomethine ylide and trans-3,3,3-trichloro-1-nitroprop-1-ene},
author = {Magdalena Żmigrodzka and Mikołaj Sadowski and Jowita Kras and Ewa Desler and Oleg M. Demchuk and Karolina Kula},
doi = {10.58332/v22i1a02},
year = {2022},
date = {2022-00-00},
journal = {Sci. Rad},
volume = {1},
number = {1},
pages = {26--35},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {Pyrrolidines are important heterocyclic organic compounds which show biological effects. Many of them are successfully used in medicine. These compounds can also be applied in industry, for example as dyes or agrochemical substances. Therefore, the study of pyrrolidines chemistry is important for modern science. In this paper the pyrrolidines synthesis in [3+2] cycloaddition between N-methyl azomethine ylide and trans-3,3,3-trichloro-1-nitroprop-1-ene was studied. The reaction was carried out experimentally and based on computational research. The obtained results show the reaction may be of a polar nature, and proceed under mild conditions leading to (3SR,4RS)-1-methyl-3-nitro-4-(trichloromethyl)pyrrolidine as a single reaction product. Probably, a similar protocol can be applied for analogous reactions involving other 2-substituted nitroethene analogues.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Pyrrolidines are important heterocyclic organic compounds which show biological effects. Many of them are successfully used in medicine. These compounds can also be applied in industry, for example as dyes or agrochemical substances. Therefore, the study of pyrrolidines chemistry is important for modern science. In this paper the pyrrolidines synthesis in [3+2] cycloaddition between N-methyl azomethine ylide and trans-3,3,3-trichloro-1-nitroprop-1-ene was studied. The reaction was carried out experimentally and based on computational research. The obtained results show the reaction may be of a polar nature, and proceed under mild conditions leading to (3SR,4RS)-1-methyl-3-nitro-4-(trichloromethyl)pyrrolidine as a single reaction product. Probably, a similar protocol can be applied for analogous reactions involving other 2-substituted nitroethene analogues.
Szymańska, Urszula; Kurzyna, Marcin; Segiet-Święcicka, Agnieszka; Kułak, Piotr; Kosiaor, Dariusz A.
Real-life trends of anticoagulant prescribing practices for pulmonary embolism – results of a single-center study based on the experience of a multi-profile clinical hospital Journal Article
In: Sci. Rad, vol. 1, no. 1, pp. 36–45, 2022.
@article{Szymańska2022,
title = {Real-life trends of anticoagulant prescribing practices for pulmonary embolism – results of a single-center study based on the experience of a multi-profile clinical hospital},
author = {Urszula Szymańska and Marcin Kurzyna and Agnieszka Segiet-Święcicka and Piotr Kułak and Dariusz A. Kosiaor},
doi = {10.58332/v22i1a03},
year = {2022},
date = {2022-00-00},
journal = {Sci. Rad},
volume = {1},
number = {1},
pages = {36--45},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {Acute pulmonary embolism (APE) is one of the main causes of cardiovascular deaths and anticoagulant treatment plays a key role in preventing recurrent episodes, chronic thromboembolic pulmonary hypertension (CTEPH), and deaths. The aim of this study is to assess the real-life trends and to determine factors associated with the choice of anticoagulation therapy in patients with APE. This is a single center prospective open study. We followed 178 consecutive patients admitted to the tertiary clinical center with APE proven with computed tomography (CT) scan within period of 24 months. A total number of 178 patients with APE were enrolled in the study. 48.9% of subjects were hospitalized in cardiology department. As a prolonged anticoagulant therapy 35.7% of study cohort received direct oral anticoagulants (DOACs), 35.1% LMWH, and 29.2% vitamin K antagonists (VKA), respectively. No statistically significant differences were found between the departments regarding frequency of prescribing anticoagulants (p=0.15). The multivariable analysis showed that oral anti-coagulants (OACs) were less likely to be prescribed than LMWH in patients with malignancy, history of major bleeding, serious medical condition and altered mental status. OACs were preferred over LMWH in symptoms of deep vein thrombosis (DVT). VKA were significantly less likely to be chosen than DOACs in patients with history of orthopaedics procedure. After six months anticoagulation therapy was discontinued in 24.3% of patients. Concluding, the form of anticoagulant therapy was associated with the presence of chronic diseases. LMWH was prescribed in high bleeding risk patients more frequently.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Acute pulmonary embolism (APE) is one of the main causes of cardiovascular deaths and anticoagulant treatment plays a key role in preventing recurrent episodes, chronic thromboembolic pulmonary hypertension (CTEPH), and deaths. The aim of this study is to assess the real-life trends and to determine factors associated with the choice of anticoagulation therapy in patients with APE. This is a single center prospective open study. We followed 178 consecutive patients admitted to the tertiary clinical center with APE proven with computed tomography (CT) scan within period of 24 months. A total number of 178 patients with APE were enrolled in the study. 48.9% of subjects were hospitalized in cardiology department. As a prolonged anticoagulant therapy 35.7% of study cohort received direct oral anticoagulants (DOACs), 35.1% LMWH, and 29.2% vitamin K antagonists (VKA), respectively. No statistically significant differences were found between the departments regarding frequency of prescribing anticoagulants (p=0.15). The multivariable analysis showed that oral anti-coagulants (OACs) were less likely to be prescribed than LMWH in patients with malignancy, history of major bleeding, serious medical condition and altered mental status. OACs were preferred over LMWH in symptoms of deep vein thrombosis (DVT). VKA were significantly less likely to be chosen than DOACs in patients with history of orthopaedics procedure. After six months anticoagulation therapy was discontinued in 24.3% of patients. Concluding, the form of anticoagulant therapy was associated with the presence of chronic diseases. LMWH was prescribed in high bleeding risk patients more frequently.
Siadati, Seyyed Amir; Rezazadeh, Solmaz
The extraordinary gravity of three atom 4π-components and 1,3-dienes to C20-nXn fullerenes; a new gate to the future of Nano technology Journal Article
In: Sci. Rad, vol. 1, no. 1, pp. 46–68, 2022.
@article{Siadati2022,
title = {The extraordinary gravity of three atom 4π-components and 1,3-dienes to C20-nXn fullerenes; a new gate to the future of Nano technology},
author = {Seyyed Amir Siadati and Solmaz Rezazadeh},
doi = {10.58332/v22i1a04},
year = {2022},
date = {2022-00-00},
journal = {Sci. Rad},
volume = {1},
number = {1},
pages = {46--68},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {A quick glance to the adsorption, sensing, and energy storage abilities of C20 fullerene and its derivatives indicate that this small carbon cluster may have extraordinary properties which would make it a key part of the future of Nano actuators and Nano machines. For example, in the case of the gravity of three atom 4π-components (TACs) to these carbon cages, it should be noted that; the rate constants (K)s of the reaction of C20 fullerene with 1,3-butadiene (Diels-Alder (DA) process), and with 2-furan nitrile oxide ([3+2] cycloaddition (32CA process)) are 2.51(1011) M-1 s-1, and 1.4(107)M-1 s-1, respectively. However, the rate constant of the 32CAreaction between norbornadiene and 3,4-dihydro isoquinoline-N-oxide is about 2.56(10-5) M-1 s-1 (both by DFT and by experimental results). This simple comparison could show the extraordinary gravity of some TACs and dienes to C20 fullerenes.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
A quick glance to the adsorption, sensing, and energy storage abilities of C20 fullerene and its derivatives indicate that this small carbon cluster may have extraordinary properties which would make it a key part of the future of Nano actuators and Nano machines. For example, in the case of the gravity of three atom 4π-components (TACs) to these carbon cages, it should be noted that; the rate constants (K)s of the reaction of C20 fullerene with 1,3-butadiene (Diels-Alder (DA) process), and with 2-furan nitrile oxide ([3+2] cycloaddition (32CA process)) are 2.51(1011) M-1 s-1, and 1.4(107)M-1 s-1, respectively. However, the rate constant of the 32CAreaction between norbornadiene and 3,4-dihydro isoquinoline-N-oxide is about 2.56(10-5) M-1 s-1 (both by DFT and by experimental results). This simple comparison could show the extraordinary gravity of some TACs and dienes to C20 fullerenes.
Zawadzińska, Karolina; Gaurav, Gajendra Kumar; Jasiński, Radomir
Preparation of conjugated nitroalkenes: short review Journal Article
In: Sci. Rad, vol. 1, no. 1, pp. 69–83, 2022.
@article{Zawadzińska2022,
title = {Preparation of conjugated nitroalkenes: short review},
author = {Karolina Zawadzińska and Gajendra Kumar Gaurav and Radomir Jasiński},
doi = {10.58332/v22i1a05},
year = {2022},
date = {2022-00-00},
journal = {Sci. Rad},
volume = {1},
number = {1},
pages = {69--83},
publisher = {Radomskie Towarzystwo Naukowe},
abstract = {Key protocols of the preparation of conjugated nitroalkenes were reviewed and critically discussed. It was established, that optimal strategy for the obtaining of target compounds are small molecules extrusion processes from saturated nitro-compounds. Among them, the most universal methodologies based on carboxylic acids elimination have been discussed, which provide for smooth applications.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Key protocols of the preparation of conjugated nitroalkenes were reviewed and critically discussed. It was established, that optimal strategy for the obtaining of target compounds are small molecules extrusion processes from saturated nitro-compounds. Among them, the most universal methodologies based on carboxylic acids elimination have been discussed, which provide for smooth applications.