Article
Biochemistry & Molecular Biology
Limin Shi, Lu Jia, Yiyun Wang, Minxia Xiu, Junxia Xie
Summary: In this study, it was found that 4-AP could inhibit MPTP-induced dopaminergic neuronal loss and attenuate motor deficits in PD. The neuroprotective effect of 4-AP is achieved by reducing oxidative stress and apoptosis.
NEUROCHEMICAL RESEARCH
(2023)
Article
Clinical Neurology
Michael Dietrich, Hans-Peter Hartung, Philipp Albrecht
Summary: 4-aminopyridine is used as a symptomatic therapy in various neurological disorders, with potential neuroprotective features beyond its symptomatic action, particularly in patients with multiple sclerosis.
NEUROLOGY-NEUROIMMUNOLOGY & NEUROINFLAMMATION
(2021)
Article
Chemistry, Organic
Wei Chen, Zheng Li
Summary: This method uses an inexpensive and concise solid alkyne source, cheap and readily available raw materials, wide-scope substrates, and a simple work-up procedure to construct 3-methyl-2-arylimidazo[1,2-a]pyridines.
JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Environmental Sciences
Yangang Ren, El Mehdi El Baramoussi, Veronique Daele, Abdelwahid Mellouki
Summary: This study provides new kinetic and mechanistic information on the atmospheric chemistry of ketones by investigating the reactions of OH radicals with three widely used compounds (2M3P, 3M2P, and 4M2P). The temperature-dependent rate constants were determined and Arrhenius expressions were proposed to describe the reactions. The products studies revealed a series of carbonyl compounds, leading to proposed mechanistic degradation schemes initiated by OH reactions.
SCIENCE OF THE TOTAL ENVIRONMENT
(2021)
Article
Chemistry, Physical
Baihui Feng, Dongyuan Yang, Yanjun Min, Qinghua Gao, Benjie Fang, Guorong Wu, Xueming Yang
Summary: The decay dynamics of 2-aminopyridine and 3-aminopyridine in the S-1 state were studied using femtosecond time-resolved photoelectron imaging. The lifetime of the S-1 state decreases rapidly with increasing vibrational energy. In addition to intersystem crossing, internal conversion through a conical intersection becomes increasingly important and dominant for vibrational states above the S-1 state origin. The presence of intramolecular hydrogen bonding in 2-aminopyridine effectively hinders the ring deformation, slowing down the S-1 to S-0 internal conversion.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Multidisciplinary Sciences
Aliaa Shallan, Ali Abdel-Hakim, Mohamed A. Hammad, Maha M. Abou El-Alamin
Summary: A green spectrofluorimetric method was developed for the determination of genotoxic impurities in pharmaceutical raw materials and dosage forms. The method showed good analytical performance and can be considered as a low-cost alternative in quality control laboratories.
SCIENTIFIC REPORTS
(2022)
Article
Chemistry, Organic
Agnieszka A. Kaczor, Karolina Wojtunik-Kulesza, Tomasz M. Wrobel, Dariusz Matosiuk, Monika Pitucha
Summary: Compound KAD22 was designed as a potential dopamine D2 receptor agonist with antioxidant activity for possible treatment of Parkinson's disease. Experimental and computational studies showed that KAD22 has potent antioxidant activity but no affinity to dopamine D2 receptor.
LETTERS IN ORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Zeki Kartal, Onur Sahin
Summary: In this study, a crystal of a new metal compound based on 4-aminopyridine and cadmium(II) chloride was synthesized and characterized using various experimental and computational methods. The compound has an orthorhombic crystal system with N-H···Cl and N-H···N hydrogen bonds observed in its crystal structure.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Inorganic & Nuclear
Guang Yang, Elena A. Mikhalyova, Alexander S. Filatov, Sergiy Kryatov, Elena Rybak-Akimova
Summary: Several manganese(II) complexes with different anions and the stereoisomers of ligand PYBP were prepared and characterized. Complex [MnII(rac-PYBP)](2+) showed high catalytic activity for alkene epoxidation, while isomeric complex [Mn-II(meso-PYBP)](2+) was catalytically inactive.
INORGANICA CHIMICA ACTA
(2023)
Article
Engineering, Biomedical
Saba Nemati Mahand, Reza Jahanmardi, Benjamin Kruppke, Hossein Ali Khonakdar
Summary: The peripheral nervous system is crucial and injuries in this system can have severe consequences. Hydrogels have been proposed as alternatives for nerve recovery, but more improvement is needed. In this study, GelMA/PEtOx hydrogel was used to deliver 4-AP, which enhanced nerve regeneration compared to the control group.
JOURNAL OF BIOMEDICAL MATERIALS RESEARCH PART A
(2023)
Article
Engineering, Environmental
Ganesh Sunil More, Dipika Rajendra Kanchan, Arghya Banerjee, Rajendra Srivastava
Summary: The development of sustainable catalytic process for converting lignin model compounds to renewable fuels and chemicals is crucial for a fossil-fuel-free modern society. In this study, Pd/CuFe2O4 and bimetallic PdNi/CuFe2O4 catalysts were developed for the hydrodeoxygenation of vanillin to MMP and 4-MC, respectively. The Pd/CuFe2O4 catalyst achieved selective conversion of vanillin to MMP using IPA as the hydrogen transfer agent. The Pd NPs and CuFe2O4 in the 1Pd/CuFe2O4 catalyst exhibited synergistic effects, resulting in high conversion (99.4%) and selectivity (99.2%) towards MMP at 150 degrees C. Incorporation of Ni into Pd/CuFe2O4 (1Pd7Ni/CuFe2O4) enabled the production of 4-MC from vanillin with 95.8% yield under H2 (20 bar) at 180 degrees C.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Basak Kosar Kirca, Cigdem Albayrak Kastas, Cem Cuneyt Ersanli
Summary: Two new Schiff base compounds were synthesized and characterized using various techniques, with density functional theory calculations confirming the most stable configuration as the OH tautomeric form. The crystal structures exhibit significant interactions that play a crucial role in building a three-dimensional network.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Crystallography
Laura Marincas, Graziella Liana Turdean, Monica Tosa, Zsolt Kovacs, Bela Kovacs, Reka Barabas, Noemi-Izabella Farkas, Liliana Bizo
Summary: The study demonstrated the suitability of Si-HAP for drug delivery of 4AP, with a release rate five times slower than HAP, attributed to the chemical bonding between silicon and the drug.
Article
Biochemistry & Molecular Biology
Mostafa F. Al-Hakkani, Nourhan Ahmed, Alaa A. Abbas, Mohammad H. A. Hassan, Hossameldin A. Aziz, Ali M. Elshamsy, Hazim O. Khalifa, Mohamed A. Abdelshakour, Mohammed S. Saddik, Mahmoud M. A. Elsayed, Marwa A. Sabet, Mohamed A. El-Mokhtar, Mosa Alsehli, M. S. Amin, Ahmed M. Abu-Dief, Hamada H. H. Mohammed
Summary: A novel derivative of ciprofloxacin (Cpx) was synthesized and showed enhanced antibacterial properties compared to Cpx itself. The derivative demonstrated increased activity against S. aureus and B. subtilis. Docking studies supported these findings by showing stronger binding interactions with the gyrase enzyme.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Multidisciplinary
Eva Vrbkova, Lada Sekerova, Eliska Vyskocilova, Martin Zapletal, Libor Cerveny
Summary: Several types of modified zeolite BETA38 with different iron loading were prepared and characterized. The introduction of iron significantly enhanced the catalytic activity of the materials, regardless of the amount of iron loading. The material with 1wt% Fe loading exhibited high conversion rates in various reactions. Particularly, the Fe loaded Beta 38 showed a significant catalytic effect in the Prins reaction of benzaldehyde with isoprenol.
RESEARCH ON CHEMICAL INTERMEDIATES
(2022)
Article
Chemistry, Analytical
Nadia Nunes, Iva Popovic, Elder Abreu, Dina Maciel, Joao Rodrigues, Juan Soto, Manuel Algarra, Marijana Petkovic
Summary: The detection of RuCp complex in human urine using MALDI-TOF MS without prior purification or removal of inorganic salts was successfully achieved. Different acquisition conditions showed varying levels of sensitivity and precision, with the matrix-free approach and DHB matrix demonstrating the highest sensitivity and precision in urine samples. Higher sensitivity of matrix-free MALDI detection of RuCp can be achieved by adding carbon dots to the urine solution.
Article
Chemistry, Multidisciplinary
Rosa Perestrelo, Catarina L. Silva, Manuel Algarra, Jose S. Camara
Summary: This study successfully monitored the presence of four common phthalates in food packaging using headspace solid-phase microextraction combined with gas chromatography-mass spectrometry, demonstrating good linearity, precision, and recoveries in the analysis.
APPLIED SCIENCES-BASEL
(2021)
Article
Chemistry, Physical
Juan Soto, Manuel Algarra, Daniel Pelaez
Summary: In this study, the decomposition of isopropyl azide in both ground and excited states was investigated using multiconfigurational CASSCF and MS-CASPT2 electronic structure approaches. The results revealed a stepwise mechanism for the thermal decomposition of azide, with the formation of isopropyl nitrene being the rate-determining step. Two routes were identified for the decomposition, and the associated intermediates were characterized. Kinetic modeling showed that the singlet channel had significantly higher rate coefficients than the spin-forbidden channel. Furthermore, the concerted mechanism for the formation of the imine derivative was ruled out after comparing different calculation methods.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Environmental Sciences
Nordine Nouayti, El Khalil Cherif, Manuel Algarra, Ma Luisa Pola, Sara Fernandez, Abderrahim Nouayti, Joaquim C. G. Esteves da Silva, Khattach Driss, Nouha Samlani, Hilali Mohamed, El Mustapha Azzirgue, Dorota Anna Krawczyk, Antonio Rodero
Summary: The chemical characterization of Ghis-Nekor groundwater is of great importance for the environment and socioeconomic development in Morocco. Researchers have examined various parameters and isotopic elements of the water samples, and used GIS for spatial data analysis. The study revealed pollution factors and raised concerns about the potential risks to human and animal health.
Article
Chemistry, Multidisciplinary
Manuel Algarra, Ana L. Cuevas, Ma Valle Martinez de Yuso, Rocio Romero, Beatriz Alonso, Carmen M. Casado, Juana Benavente
Summary: In this study, CdSe quantum dots nanoparticles were coated with a fifth generation thiolated DAB dendrimer and embedded in a highly hydrophilic regenerated cellulose film to create a flexible nano-engineered film with high transparency and photoluminescence properties. The optical characteristics of the film were analyzed using spectroscopic ellipsometry, light transmittance/reflectance curves, and photoluminescence spectra, along with other physicochemical techniques.
Article
Chemistry, Analytical
Manuel Algarra, Shehdeh Jodeh, Israa Aqel, Ghadir Hanbali, Smaail Radi, Said Tighadouini, Raed Alkowni, Juan Soto, Subhi Samhan, Savas Kaya, Konstantin P. Katin
Summary: This study developed and investigated the use of functional silica phenylamine for the removal of carbamazepine from aqueous solutions, and achieved good removal efficiency. Theoretical calculations demonstrated a strong interaction between amine-modified silica and carbamazepine.
Article
Biochemistry & Molecular Biology
Maja D. Nesic, Tanja Ducic, Mara Goncalves, Milutin Stepic, Manuel Algarra, Juan Soto, Branislava Gemovic, Teresa J. Bandosz, Marijana Petkovic
Summary: This study investigated the effects of carbon dots and N-carbon dots loaded with Ru-complex on ovarian cancer and osteosarcoma cells induced by UV illumination. The results demonstrated the selective action of the loaded nanomaterials in photodynamic therapy and evaluated their surface and optical properties.
CHEMICO-BIOLOGICAL INTERACTIONS
(2022)
Article
Oncology
Maja D. Nesic, Tanja Ducic, Manuel Algarra, Iva Popovic, Milutin Stepic, Mara Goncalves, Marijana Petkovic
Summary: Developing new anticancer medicaments that can eliminate tumor tissue without severe side effects is crucial. The interaction between a potential metallodrug and cancer cell lipids was studied using spectroscopic techniques, and it was found that drug carriers can mitigate the damage caused by the drug and enhance the anticancer activity.
Article
Materials Science, Biomaterials
Diana Crista, Manuel Algarra, Maria Valle Martinez de Yuso, Joaquim C. G. Esteves da Silva, Luis Pinto da Silva
Summary: This study reports the synthesis of N-doped carbon dots obtained from the dry heating of solid mixtures of glucose and urea. The optical properties and composition of the carbon dots were investigated, and two types of carbon dots were found, one soluble in water and the other only soluble at basic pH.
JOURNAL OF MATERIALS CHEMISTRY B
(2023)
Review
Chemistry, Physical
Marcos Diaz-Fernandez, Saturnino Calvo-Losada, J. -Joaquin Quirante, Francisco Sarabia, Manuel Algarra, M. -Soledad Pino-Gonzalez
Summary: This review summarizes synthetic advances in the formation of pyrimidine and related heterocyclic compounds from 2010 to mid-2022. It focuses on different types of cycloadditions that lead to the formation of the pyrimidine ring, considering the number of components involved. A separate review on the Biginelli reaction and related reactions will be conducted in the future.
Article
Chemistry, Multidisciplinary
Manuel Algarra, Ma Cruz Lopez Escalante, Ma Valle Martinez de Yuso, Juan Soto, Ana L. Cuevas, Juana Benavente
Summary: This study analyzes the chemical surface and optical characteristics of a commercial nanoporous alumina structure (NPAS) when covered with different imidazolium-based ionic liquids (ILs). The results show that the ILs have significant effects on the optical properties of the NPAS samples, and the ILs almost completely cover the surface of the NPAS support. Through optical and electrical measurements, the IL/NPAS samples exhibit different photoluminescence behavior and high transparency, indicating potential applications in solar cells.
Article
Chemistry, Physical
Juan Soto, Daniel Pelaez, Manuel Algarra
Summary: In this study, the photodissociation of protonated derivatives of N-nitrosodimethylamine was investigated using the CASPT2 method. It was found that only one of the possible protonated species, N-nitrosoammonium ion, absorbed in the visible region and dissociated to produce aminium radical cation and nitric oxide. The intramolecular proton migration reaction was found to be inaccessible in both the ground and excited state. In acidic solutions of aprotic solvents, only the formation of [(CH3)(2)NH-NO](+) was observed.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Green & Sustainable Science & Technology
Gabriela Rodriguez-Carballo, Ramon Moreno-Tost, Sonia Fernandes, Joaquim C. G. Esteves da Silva, Luis Pinto da Silva, Eulogio Castro Galiano, Manuel Algarra
Summary: The effectiveness of different transition metal phosphate-based acid catalysts in the hydrothermal synthesis of carbon dots was evaluated. The existence of nanoparticles was confirmed regardless of the carbohydrate source. N-doped CDs with increased fluorescence were also synthesized and their photocatalytic activity was investigated. A Life Cycle Assessment revealed that the nature of the carbon precursor plays a decisive role in the environmental impact of the synthesis process.
JOURNAL OF CLEANER PRODUCTION
(2023)
Article
Spectroscopy
Tanja Ducic, Alicia Sanchez-Mata, Jesus Castillo-Sanchez, Manuel Algarra, Elena Gonzalez-Munoz
Summary: This study investigates the molecular changes occurring in somatic cells during reprogramming with different combinations of reprogramming factors using synchrotron-radiation Fourier transform infrared spectroscopy. The results show that the different reprogramming combinations and stages affect the conformation and representation of biological macromolecules. The study reveals the acquisition trajectories of pluripotency during reprogramming, providing valuable information for advanced biomedical applications.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Chemistry, Physical
Gabriela Rodriguez-Carballo, Cristina Garcia-Sancho, Manuel Algarra, Eulogio Castro, Ramon Moreno-Tost
Summary: Carbon dots (CDs) are carbon nanomaterials with great photoluminescent features, low cytotoxicity, and excellent water stability and solubility. In this study, the catalytic performance of VOPO4 in the synthesis of nitrogen-doped carbon dots (N-CDs) was evaluated. The N-CDs obtained showed high photoluminescence due to the presence of oxidized groups on their surfaces, making them potentially useful in photocatalytic degradation.
