Article
Chemistry, Medicinal
Vera Deneva, Sofia Slavova, Alina Kumanova, Nikolay Vassilev, Daniela Nedeltcheva-Antonova, Luidmil Antonov
Summary: The tautomeric properties of favipiravir were experimentally investigated for the first time using molecular spectroscopy and DFT quantum-chemical calculations. The enol tautomer was found to be more stable in most organic solvents, while the keto form was favored in the presence of water. Addition of alkaline-earth-metal ions resulted in simultaneous deprotonation and complexation, forming 2:1 ligand:metal complexes. Theoretical simulations showed that the metal ion is captured between the carbonyl groups due to the size-fit effect.
Article
Materials Science, Multidisciplinary
V. Saraswathi, S. Agilan, N. Muthukumarasamy, Dhayalan Velauthapillai
Summary: In this study, (E)-4-bromo-N'-(3,4-dimethoxybenzylidene)benzohydrazide (DMBH) single crystals were successfully synthesized using the Schiff base method, and characterized and analyzed using various techniques including X-ray diffraction, NMR spectroscopy, UV-Vis spectroscopy, FTIR analysis, DFT method, Hirshfeld surface analysis, NBO analysis, and MEP analysis. The compound exhibited high hyperpolarizability and nonlinear optical properties.
Article
Spectroscopy
Zakir Ullah, Prasad M. Sonawane, Thien S. Nguyen, Mousumi Garai, David G. Churchill, Cafer T. Yavuz
Summary: A novel dual-pocketed tetra-conjugated bisphenol-based chromophore with high selectivity for naked-eye detection of CN- in drinking water was successfully synthesized, achieving a detection limit within WHO permissible limits. Sen demonstrates specific selectivity for toxic CN- and shows potential applicability and reusability.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Crystallography
Faheem Ahmed, Suliman Yousef AlOmar, Fadwa Albalawi, Nishat Arshi, Sourabh Dwivedi, Shalendra Kumar, Nagih Mohammed Shaalan, Naushad Ahmad
Summary: The silver nanoparticles synthesized using a one-step microwave irradiation technique exhibited a single-phase face-centered cubic structure with an absorption maximum at 420 nm, confirming their formation. Transmission electron microscopy analysis revealed the nanoparticles to be spherical with an average diameter of approximately 6 nm. These nanoparticles showed strong antibacterial properties against various microorganisms, with the highest zone of inhibition observed against Pseudomonas aeruginosa.
Article
Physics, Multidisciplinary
Ibrahim Mohammed, J. Mohammed, Anjori Sharma, Hamnesh Mahajan, Shweta Sharma, Manisha Thakur, Amarjeet Kaur, Neha Aggarwal, A. K. Srivastava
Summary: This experimental study investigated the effects of La3+-Mn2+ substitution on the properties of Ba(1.7-x)Sr(0.3)LaxZn(2)Fe(12-x)Mn(x)O(22), and found that the prepared material exhibited soft magnetic behavior and high shielding effectiveness, indicating its potential as an effective EMI shielding material in the Ku-band.
CHINESE JOURNAL OF PHYSICS
(2022)
Review
Agronomy
Andres Perez-San Martin, Frutos C. Marhuenda-Egea, Maria Angeles Bustamante, Gustavo Curaqueo
Summary: This review critically analyzes and updates the chemical spectroscopy methods for evaluating the transformation of organic matter in composting, and discusses their potential applications in optimizing compost quality for agricultural use.
Article
Chemistry, Physical
Trent R. Graham, Brandy N. Gartman, Anjelica Bautista, Lindsay E. I. Irwin, Eden J. Shelby, Danielle L. Saunders, Timothy J. Johnson, Mark K. Murphy, Nicolas Uhnak, Andrew M. Ritzmann, James M. Bowen
Summary: This study explores the sensitivity and limitations of various spectroscopic techniques in detecting changes in iodine speciation. The results show that commonly used spectroscopies have different sensitivities to various iodine species. Through the analysis of Raman, FTIR, and NMR spectra, high-resolution autocorrelation spectra are generated to track the acidification-induced and gamma irradiation-induced transformations of iodine. This research provides insights for designing optimal combinations of techniques to detect different forms of iodine.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Organic
Jamie S. Sweet, Sundaram Rajkumar, Paul Dingwall, Peter C. Knipe
Summary: This research developed a novel synthetic approach to generate a library of axially chiral N-aryl quinolinium salts inspired by naturally occurring molecules, with enantiopurities up to 93% ee obtained via a four-step route. The axial stereochemistry was controlled through an enantioselective ring-closing Buchwald-Hartwig coupling reaction. The structure and properties of the salts were examined by various methods, revealing high rotational barriers and solvatochromic behavior.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Physical
Tatiana Rodrigues Garcia, Paulo de Tarso Cavalcante Freire, Paulo Nogueira Bandeira, Amanda Pereira de Sousa, Murilo Sergio da Silva Juliao, Tigressa Helena Soares Rodrigues, Marcia Machado Marinho, Emmanuel Silva Marinho, Francisco Wagner Queiroz Almeida-Neto, Maria Kueirislene Amancio Ferreira, Antonio Wlisses da Silva, Jane Eire Silva Alencar de Menezes, Aldeneide Soares de Paiva, Joao Pedro da Hora, Antonio Cesar Honorato Barreto, Helcio Silva dos Santos, Alexandre Magno Rodrigues Teixeira
Summary: In this study, a novel ibuprofen derivative was synthesized and characterized using various spectroscopic techniques, and its structural and spectroscopic properties were investigated through DFT calculations. In vivo experiments demonstrated that the ibuprofen derivative had analgesic properties, was non-toxic, and showed potential as an oral drug based on its pharmacokinetic properties.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Environmental Sciences
Sikandar Khan, Mian Muhammad, Abdul Waheed Kamran, Hamed M. Al-Saidi, Salman S. Alharthi, Jari S. Algethami
Summary: We synthesized a fluorescent and colorimetric chemosensor SB and investigated its structure and sensing properties towards various ions. SB exhibited excellent colorimetric response and fluorescence turn-on sensing towards Cu2+. The sensing mechanism of SB towards Cu2+ was determined, and it showed high selectivity and sensitivity even in solid medium.
ENVIRONMENTAL MONITORING AND ASSESSMENT
(2023)
Article
Chemistry, Medicinal
Linfeng Wu, Brian R. Morrow, Mary M. Jefferson, Feng Li, Liang Hong
Summary: Novel collagen composite membranes with antibacterial function were successfully prepared in this study for guided tissue regeneration or wound dressing applications.
JOURNAL OF PHARMACEUTICAL SCIENCES
(2021)
Article
Chemistry, Physical
J. Al Boukhari, Z. Bitar, A. A. Azab, R. Awad, M. Rekaby
Summary: In this study, low-cost chloride precursors were used to synthesize pure and codoped NiO nanoparticles through a facile coprecipitation method. The thermal, structural, morphological, optical, and magnetic properties of the samples were found to be strongly dependent on the reaction temperature and codoping. The codoped samples with a doping concentration higher than 4% showed linear M-H curves, indicating their ferromagnetic behavior.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Biochemistry & Molecular Biology
Dmitry A. Bunin, Nobuhle Ndebele, Alexander G. Martynov, John Mack, Yulia G. Gorbunova, Tebello Nyokong
Summary: The synthesis and characterization of A(3)B-type phthalocyanines, ZnPc1-4, with bulky substituents on isoindoline units A and carboxylic anchors on isoindoline unit B are reported. The simplified sTD-DFT approximation accurately reproduces the key trends in the spectral properties, providing a valuable tool for guiding the rational design of new phthalocyanines.
Article
Chemistry, Physical
Andres Garcia-Dominguez, Nathan M. West, Robert T. Hembre, Guy C. Lloyd-Jones
Summary: The kinetics of the conversion of thiophenols into sulfenyl chlorides using N-chlorosuccinimide (NCS) has been investigated. The study reveals the important processes and factors involved in this reaction, as well as potential hazardous conditions and mitigation methods.
Article
Chemistry, Applied
Natalia Sh Lebedeva, Elena S. Yurina, Sabir S. Guseinov, Yury A. Gubarev
Summary: In this study, we investigated the influence of the position of the N-methyl group in tetra-(N-methylpyridyl)porphyrin on its interaction with oligonucleotides using experimental physicochemical methods. The combination of spectral and thermochemical analysis proved to be useful for elucidating the binding mechanism and structural consequences of ligand complexes with DNA.
Article
Anthropology
Joeri Kaal, Maria Martin Seijo, Cesar Oliveira, Ewa Wagner-Wysiecka, Victoria E. McCoy, Monica M. Solorzano Kraemer, Alexander Kerner, Philip Wenig, Carlos Mayo, Julia Mayo
JOURNAL OF ARCHAEOLOGICAL SCIENCE
(2020)
Article
Chemistry, Physical
Natalia Lukasik, Jaroslaw Chojnacki, Elzbieta Luboch, Andrzej Okuniewski, Ewa Wagner-Wysiecka
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2020)
Article
Zoology
Marta Zakrzewska, Hukam Singh, Ewa Wagner-Wysieckas, Wojciech Gilka
ZOOLOGICAL JOURNAL OF THE LINNEAN SOCIETY
(2020)
Article
Chemistry, Multidisciplinary
Ewa Wagner-Wysiecka, Natalia Lukasik, Andrzej Okuniewski, Blazej Galinski
MONATSHEFTE FUR CHEMIE
(2020)
Article
Chemistry, Multidisciplinary
Ewa Wagner-Wysiecka, Paulina Szulc, Elzbieta Luboch, Jaroslaw Chojnacki, Katarzyna Szwarc-Karabyka, Natalia Lukasik, Milosz Murawski, Michal Kosno
Article
Chemistry, Physical
Natalia Lukasik, Koleta Hemine, Iwona Anusiewicz, Piotr Skurski, Ewa Paluszkiewicz
Summary: Azobenzene derivatives are important molecular switches for biological and material science applications. This study synthesized and characterized two novel amides containing photoresponsive azobenzene units, investigating their photochemical properties through experimental and theoretical methods. The compounds underwent trans to cis isomerization under UV light, with quantum yields and reaction kinetics also analyzed. The presence of selected ions was found to influence the thermal relaxation and half-life time of the cis form.
Article
Chemistry, Physical
Blazej Galinski, Elzbieta Luboch, Jaroslaw Chojnacki, Ewa Wagner-Wysiecka
Summary: Novel 18- and 23-membered diazomacrocycles were synthesized by diazocoupling of aromatic diamines with pyrrole under high dilution conditions, showing characteristics as chromogenic heavy metal ions receptors. These macrocycles exhibited selective and sensitive color and spectral response for lead(II) in acetonitrile mixtures with water. The introduction of a hydrocarbon residue as part of the macrocycle influenced the lead(II) binding, leading to the proposal of a selective and sensitive colorimetric probe for lead(II) in aqueous acetonitrile with a detection limit of 56.1 μg/L.
Article
Chemistry, Applied
Arthur Felipe de Farias Monteiro, Stephany Larissa da Silva Ribeiro, Thiago Izidoro Silva Santos, Jose Daniel da Silva Fonesca, Natalia Lukasik, Joanna Kulesza, Braulio Silva Barros
Summary: A 2D Cu-based Metal-Organic Framework (MOF) was synthesized by electrochemical method and used for effective MB sorption from aqueous solutions. The effect of electrochemical parameters on the product composition and the MB sorption kinetics and equilibrium were studied.
MICROPOROUS AND MESOPOROUS MATERIALS
(2022)
Article
Biochemistry & Molecular Biology
Ewa Wagner-Wysiecka, Paulina Szulc, Elzbieta Luboch, Jaroslaw Chojnacki, Pawel Sowinski, Katarzyna Szwarc-Karabyka
Summary: This study presents the preparation and characterization of products resulting from the photochemical and thermochemical rearrangements of certain azoxybenzocrown compounds. The structures of these compounds were determined using various spectroscopic methods, and their ability to bind and recognize metal cations was also investigated.
Review
Energy & Fuels
Ewelina Pawelczyk, Natalia Lukasik, Izabela Wysocka, Andrzej Rogala, Jacek Gebicki
Summary: This review discusses and compares the three most technologically advanced hydrogen carriers - dimethyl ether, methanol, and dibenzyltoluene. Their potential for industrial application in energy storage, transport, and mobility sectors is analyzed, taking into account technological and environmental aspects.
Review
Energy & Fuels
Aleksandra Malachowska, Natalia Lukasik, Joanna Mioduska, Jacek Gebicki
Summary: Hydrogen-based technologies are considered promising solutions for achieving zero-emission goals and energy independence. Large-scale hydrogen storage remains challenging, and underground storage, particularly using salt caverns, is seen as an economical and safe option. This paper reviews recent advances and the commercial potential of underground hydrogen storage, with a focus on salt cavern utilization in Europe.
Article
Chemistry, Analytical
Natalia Lukasik, Ewa Wagner-Wysiecka, Aleksandra Malachowska
Article
Chemistry, Organic
Geeta Devi Yadav, Pooja Chaudhary, Balaram Pani, Surendra Singh
Summary: Chiral transition metal complexes with privileged ligands are efficient catalysts for various asymmetric organic transformations. Transition metal complexes of C1-symmetric pyrrolidine-based ligands have been widely used in asymmetric organic reactions. However, a comprehensive review article on the transition metal complexes of chiral C1-symmetric pyrrolidine-based ligands derived from (L)-proline has not been published.
TETRAHEDRON LETTERS
(2024)
