@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}

}

@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}

}

@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}

}

@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}

}

@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}

}

@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 = {General Arts and Humanities, General Medicine},

pubstate = {published},

tppubtype = {article}

}

@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}

}

@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}

}

@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}

}

@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 = {Cycloaddition, Imine, Lewis acid catalyst, Povarov, uinoline, vinyl ethers},

pubstate = {published},

tppubtype = {article}

}

@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 = {Automotive Engineering, General Earth and Planetary Sciences, General Environmental Science, General Medicine, Industrial and Manufacturing Engineering, Management of Technology and Innovation, Neuropsychology and Physiological Psychology, Pharmacology (medical), Psychiatry and Mental health},

pubstate = {published},

tppubtype = {article}

}

@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 = {Communication, General Medicine, Information Systems, Plant Science},

pubstate = {published},

tppubtype = {article}

}

@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 = {General Earth and Planetary Sciences, General Engineering, General Environmental Science, General Medicine, Ocean Engineering, Visual Arts and Performing Arts},

pubstate = {published},

tppubtype = {article}

}

@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 = {General Earth and Planetary Sciences, General Engineering, General Environmental Science, General Medicine, Ocean Engineering, Visual Arts and Performing Arts},

pubstate = {published},

tppubtype = {article}

}

@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 = {Business, Cardiology and Cardiovascular Medicine, Critical Care and Intensive Care Medicine, Dermatology, Developmental Biology, Diabetes and Metabolism, Endocrinology, Gastroenterology, General Medicine, Management and Accounting (miscellaneous), Nutrition and Dietetics, Political Science and International Relations, Pulmonary and Respiratory Medicine, Social Psychology, Sociology and Political Science},

pubstate = {published},

tppubtype = {article}

}

@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 = {Atomic and Molecular Physics, Electrical and Electronic Engineering, General Earth and Planetary Sciences, General Environmental Science, General Medicine},

pubstate = {published},

tppubtype = {article}

}

@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 = {General Earth and Planetary Sciences, General Engineering, General Environmental Science, General Medicine},

pubstate = {published},

tppubtype = {article}

}

@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 = {General Chemical Engineering, General Earth and Planetary Sciences, General Environmental Science, General Medicine, Ocean Engineering},

pubstate = {published},

tppubtype = {article}

}

@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 = {Applied Mathematics, Atomic and Molecular Physics, Electrical and Electronic Engineering, General Chemistry, General Earth and Planetary Sciences, General Environmental Science, General Mathematics, General Medicine, Microbiology},

pubstate = {published},

tppubtype = {article}

}

@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 = {Applied Mathematics, Atomic and Molecular Physics, Electrical and Electronic Engineering, General Chemistry, General Earth and Planetary Sciences, General Environmental Science, General Mathematics, General Medicine, Microbiology},

pubstate = {published},

tppubtype = {article}

}

@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 = {Accounting, Applied Mathematics, Colloid and Surface Chemistry, Demography, Economics and Econometrics, Finance, General Chemistry, General Earth and Planetary Sciences, General Environmental Science, General Materials Science, General Mathematics, General Medicine, Geography, Microbiology, Physical and Theoretical Chemistry, Planning and Development},

pubstate = {published},

tppubtype = {article}

}

@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 = {Accounting, Applied Mathematics, Colloid and Surface Chemistry, Demography, Economics and Econometrics, Finance, General Chemistry, General Earth and Planetary Sciences, General Environmental Science, General Materials Science, General Mathematics, General Medicine, Geography, Microbiology, Physical and Theoretical Chemistry, Planning and Development, Urban Studies},

pubstate = {published},

tppubtype = {article}

}

@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 = {Accounting, Applied Mathematics, Colloid and Surface Chemistry, Demography, Economics and Econometrics, Finance, General Chemistry, General Earth and Planetary Sciences, General Environmental Science, General Materials Science, General Mathematics, General Medicine, Geography, Microbiology, Physical and Theoretical Chemistry, Planning and Development, Urban Studies},

pubstate = {published},

tppubtype = {article}

}

@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 = {Accounting, Applied Mathematics, Colloid and Surface Chemistry, Demography, Economics and Econometrics, Finance, General Chemistry, General Earth and Planetary Sciences, General Environmental Science, General Materials Science, General Mathematics, General Medicine, Geography, Microbiology, Physical and Theoretical Chemistry, Planning and Development, Urban Studies},

pubstate = {published},

tppubtype = {article}

}

@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 = {Accounting, Applied Mathematics, Colloid and Surface Chemistry, Demography, Economics and Econometrics, Finance, General Chemistry, General Earth and Planetary Sciences, General Environmental Science, General Materials Science, General Mathematics, General Medicine, Geography, Microbiology, Physical and Theoretical Chemistry, Planning and Development, Urban Studies},

pubstate = {published},

tppubtype = {article}

}