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European Journal of Chemistry
Number of Followers: 27  Open Access journalISSN (Print) 2153-2249 - ISSN (Online) 2153-2257 Published by European Journal of Chemistry  [1 journal]
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- Graphical Contents
Authors: Hakan Arslan
Pages: iii - vi
PubDate: 2024-06-30
DOI: 10.5155/eurjchem.15.2.iii-vi.2568
Issue No: Vol. 15, No. 2 (2024)
- Excited states of diphenylacetylene (tolan): Near and vacuum UV
polarization spectroscopy
Authors: Duy Duc Nguyen, Nykola C. Jones, Søren Vrønning Hoffmann, Jens Spanget-Larsen
Pages: 87 - 92
Abstract: The UV absorbance spectrum of the important chromophore diphenylacetylene (tolan) is investigated by Synchrotron Radiation Linear Dichroism (SRLD) spectroscopy using stretched polyethylene as an anisotropic solvent. The investigation covers the range of 58,000-28,000 cm–1 (172-360 nm). The observed linear dichroism provides information on the transition moment directions of the four main absorbance bands A, B, C, and D at 33,300, 44,400, 51,000, and 57,000 cm-1 (300, 225, 196, and 175 nm). The experimental wavenumbers, intensities, and polarization directions are compared with the results of quantum chemical calculations using the semiempirical all-valence-electrons method Linear Combination of Orthogonalized Atomic Orbitals (LCOAO) and Time-Dependent Density Functional Theory (TD-DFT) with the functional CAM-B3LYP. Magnetic Circular Dichroism (MCD) B-terms predicted with LCOAO suggest that a number of optically weak transitions may be observed by MCD spectroscopy.
PubDate: 2024-06-30
DOI: 10.5155/eurjchem.15.2.87-92.2546
Issue No: Vol. 15, No. 2 (2024)
- Exploring the influence of ionic liquids on bimetallic gold nanoclusters
and cellobiose through DFT analysis
Authors: Manohar Pillegowda, Susheela Krishnappa Lenkennavar, Ganga Periyasamy
Pages: 93 - 100
Abstract: We conducted density functional theory (DFT) studies to investigate the potential cleavage of cellobiose into smaller fragments in an ecofriendly manner using bimetallic nanoclusters in an ionic liquid (IL) medium. The presence of IL solvent layers notably influences the behavior of gold clusters during the binding. Our study involves the simultaneous consideration of metal clusters and ILs to compute cellobiose structures. Our computational analysis reveals weak interactions between IL and cellobiose, whereas metal clusters exhibit robust binding to cellobiose via glycosidic oxygen. Introducing heterogeneity in metal clusters enhances their binding to cellobiose. Incorporation of hetero-metals induces polarization in the clusters, leading to dipole formation, as indicated by the electrostatic potential maps of halogenated clusters. Among the investigated clusters, those containing [Au3Br(6IL)] exhibit notably strong binding to cellobiose, weakening the glycosidic bond by up to 7%. However, despite the strong interaction with metal clusters in an IL solvent, cleavage of the glycosidic bond remains elusive.
PubDate: 2024-06-30
DOI: 10.5155/eurjchem.15.2.93-100.2486
Issue No: Vol. 15, No. 2 (2024)
- The pollution status of the ship breaking area and its impact on tree
growth and human health in Sitakunda, Bangladesh
Authors: Mohammed Khorshed Ali, Ahmed Jubaer, Mohammed Anisuzzaman Talukder, Mohammad Zahirul Islam Talukder, Muhammad Tasneem Zafar, Sajia Islam, Ayesha Meherun Nahar, Rubayat Tahrim Sourav
Pages: 101 - 109
Abstract: Chittagong Shipyard has been a source of pollution for the local ecosystem. From the shipyard, a substantial amount of pollutants is released into the environment during operations. Due to the release of heavy metals, chemicals, and oil into nearby water bodies, which subsequently contaminate the soil, pollution of both water and soil occurs. The pollution of air and water due to the burning of fuels and materials such as oil and paint has also slowed the growth of the plant. To evaluate the status of environmental pollution near the ship breaking industries in Sitakunda, several samples were collected and tested. The growth and yield performance of the Swietenia mahagoni Linn seedlings (Mahogani) was carried out in three different types of soil composition, such as nursery soil + shipyard soil, nursery soil + soil adjacent to the shipyard, and nursery soil + soil from a place away from the shipyard as a control in a ratio of 1:2. The seawater and soil samples collected from the three shipyards were found to be more polluted compared to those of the seawater and soil samples collected from an area away from the shipyards. The magnitude of pollution in different physical and chemical parameters of the seawater of the shipyard differs significantly (at p < 0.01) from the seawater away from the shipyard. The magnitude of pollution in different physical and chemical parameters of the shipyard soil differs significantly (at p < 0.05) from the soil adjacent to the shipyard and the soil away from the shipyard. The growth and yield of the Swietenia mahagoni Linn species were affected by growing on the shipyard soil with nursery soil. Total biomass production was minimum in seedlings grown in three different soils of shipyards, followed by seedlings grown in soil adjacent to the shipyards and seedlings grown in soil away from the shipyard.
PubDate: 2024-06-30
DOI: 10.5155/eurjchem.15.2.101-109.2509
Issue No: Vol. 15, No. 2 (2024)
- Phytochemical analysis and therapeutic applications of some wild edible
fruits growing in Uttarakhand Himalayas
Authors: Bhawana Verma, Stuti Arya, Tanuja Kabdal, Vandana Arya, Om Prakash, Ravendra Kumar, Shiv Kumar Dubey, Dharmendra Singh Rawat, Sonal Tripathi
Pages: 110 - 119
Abstract: The purpose of the investigation was to evaluate the phytochemical composition and biological properties of indigenous wild edible fruits that grow in the Uttarakhand Himalayas in India. Plant extracts were prepared employing the cold percolation method in both nonpolar and polar solvents, i.e., hexane and methanol. Subsequent GC-MS analysis of the hexane extracts, namely Pyracantha crenulata hexane extract 01 (PCHE01), Berberis asiatica hexane extract 02 (BAHE02), Rubus ellipticus hexane extract 03 (REHE03), Ficus palmata Forssk hexane extract 04 (FPHE04), and Myrica esculenta hexane extract 05 (MEHE05), revealed the identification of more than 32, 40, 44, 53, and 48 constituents, which accounted for 74.4, 83.4, 78.9, 70.0, and 73.2% of the overall composition, respectively. The nutritional elements of Pyracantha crenulata (PC), Rubus ellipticus (RE), Myrica esculenta (ME), Ficus palmata Forsk (FP) and Berberis asiatica (BA) were also studied. The results indicated that the boron content was highest in all samples. Hexane and methanol fruit extracts were studied for their total phenolic and flavonoid content, which revealed variations. Both extracts were examined for different biological activities. The antioxidant activity was evaluated using three different methods. In vitro evaluation of anti-inflammatory activity was performed by measuring the denaturation of egg albumin protein. In the methanolic extract, the lowest IC50 value was recorded for REME3 at 7.50±0.03 µg/mL. Likewise, in the hexane extract, BAHE02 exhibited a minimum IC50 value of 4.47±0.87 µg/mL. The evaluation of antidiabetic activity of hexane and methanol extracts was carried out through an α-amylase inhibition assay. The comprehensive biological activity assays and elemental analyzes underscored the significant nutraceutical value of these plants. It was evident that these plants have the potential to serve as effective nutrient supplements and could be of considerable industrial importance in the field of the nutraceutical sector. This research is important not only from an academic perspective, but also for establishing a valuable database that can guide the sustainable use of wild edible plants.
PubDate: 2024-06-30
DOI: 10.5155/eurjchem.15.2.110-119.2520
Issue No: Vol. 15, No. 2 (2024)
- pH and time effectiveness on azithromycin drug: A spectrophotometric
approach
Authors: Adel Ahmed Saeed, Mokhtar Salim Al-Salimi, Amani Khalid Muthanna, Maysa Thabet Saleh, Ahmed Hassan Ahmed, Fadhel Mahmoud Qasam, Hadeel Adnan Alwan, Ibrahim Mukhtar Alturky, Musab Muhammed Hamood
Pages: 120 - 127
Abstract: The present study describes a straightforward method to assess the quality control and diagnostic characteristics of three different brands of film-coated azithromycin tablets. The method is based on the reduction of potassium permanganate in a slightly alkaline solution using azithromycin. The effects of acidity and time were investigated to evaluate the reliability of the method. A spectroscopic technique was used to determine the concentration of azithromycin in a sample by measuring the decrease in potassium permanganate absorbance at a specific wavelength of 547 nm. Azithromycin causes decolorization of potassium permanganate with reduction. The method allowed the determination of azithromycin concentrations ranging from 3-15 μg/mL in the final solution. The usual components present in the azithromycin tablets were observed not to interfere with the method. The results obtained for the determination of azithromycin in tablets were in good agreement with the allowed limit.
PubDate: 2024-06-30
DOI: 10.5155/eurjchem.15.2.120-127.2522
Issue No: Vol. 15, No. 2 (2024)
- Synthesis, characterization, DFT, biological activities and molecular
Authors: Minakshee Abhijit Todarwal, Samina Karimkha Tadavi, Rakesh Suresh Sancheti, Ratnamala Subhash Bendre
Pages: 128 - 142
Abstract: In this study, we synthesized a tetradentate Salen type Schiff base ligand (H2L = 6,6'-(((4-chloro-1,2-phenylene)bis(azanylylidene))bis(methanylylidene)) bis(2-isopropyl-5-methyl-phenol)) containing N2O2 donor atoms and its analogous transition metal complexes, namely CoL, NiL, CuL, and ZnL. The ligand was prepared through the condensation reaction of 3-isopropyl-6-methylsalicyaldehyde and 4-chloro-1,2-phenylene diamine. Various spectroscopic methods viz. FT-IR, UV-Vis, 1H- and 13C-NMR, ESI-MS, and elemental analysis were utilized to elucidate the synthesized compounds. The free ligand coordinates with the metal ions in 1:1 molar ratio. The bactericidal investigations of the compounds were performed against S. aureus, S. pyogenes, E. coli, and P. aeruginosa. Antimalarial, anti-inflammatory and antioxidant activities were also studied. The DFT study was performed to optimize the geometry and evaluate the chemical reactivity parameters. The molecular docking investigation was performed to evaluate the binding interactions and binding energy of the synthesized compounds against cysteine protease SpeB and lactate dehydrogenase receptor proteins. This investigation established a good correlation between theoretical and practical outcomes.
PubDate: 2024-06-30
DOI: 10.5155/eurjchem.15.2.128-142.2543
Issue No: Vol. 15, No. 2 (2024)
- Crystal structure of
Authors: Naresh Sharma, Indrajit Karmakar, Goutam Brahmachari, Vivek Kumar Gupta
Pages: 143 - 148
Abstract: The crystal structure of the title compound, 6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, were determined by single crystal X-ray structure analysis. The compound C14H12N4O crystallizes in the triclinic crystal system with the P-1 space group (no. 2), having unit cell parameters a = 6.4788(7) Å, b = 8.8433(7) Å, c = 10.7377(9) Å, α = 103.456(7)°, β = 99.207(8)°, γ = 92.451(8)°, V = 588.55(9) Å3, Z = 2. The crystal structure was solved by direct methods using single-crystal X-ray diffraction data collected at room temperature and refined by full-matrix least-squares procedure with a final R-value of 0.0464 for 1432 observed reflections. The dihedral angle between the pyran ring and the pyrazole ring is 178.08(6)°, between the pyrazole ring and the benzene ring is 98.92(6)° and between the pyran ring and the benzene ring is 97.10(5)°. The molecules in the crystal are linked to an infinite two-dimensional network by N−H···N and C−H···π types of hydrogen bonds. Molecules are also reinforced by the π···π interaction between the pyrazole ring and the pyran ring, respectively.
PubDate: 2024-06-30
DOI: 10.5155/eurjchem.15.2.143-148.2525
Issue No: Vol. 15, No. 2 (2024)
- Exploring the thermoluminescent characteristics of nano α-Al2O3:
Influence of heating rate on glow peaks and activation energy
Authors: Sahib Mammadov, Muslim Gurbanov, Ahmad Ahadov
Pages: 149 - 154
Abstract: The thermoluminescence (TL) characteristics of nano α-Al2O3 (40 nm) under varying heating rates have been investigated. The presented data reveal a significant displacement of glow peaks to higher temperatures as the heating rate increases, accompanied by variations in the height of the TL peaks. When the glow curve plot represents the TL intensity in counts/K against temperature (K), there is a noticeable shift towards higher temperatures with increasing heating rate. The activation energy (E) calculated using the two different heating rate methods is 1.08±0.7 eV. The ln(T2M/β) graph versus 1/kTM yields an activation energy value of E = 1.15±0.1 eV. This result agrees with data from the existing literature supporting the observed thermoluminescent behaviour of nano α-Al2O3 (40 nm) at different heating rates. The TL response and luminescence efficiency are examined in relation to changes in heating rate, revealing insights into thermal quenching phenomena. Additionally, activation energy calculations based on different heating rates are explored to understand the underlying mechanisms influencing TL behavior.
PubDate: 2024-06-30
DOI: 10.5155/eurjchem.15.2.149-154.2552
Issue No: Vol. 15, No. 2 (2024)
- Synthesis, spectroscopic characterization, crystal structure and
computational studies of two new
N-aroyl-N′-(2,4,6-tribromophenyl)thioureas
Authors: Nadide Burcu Arslan, Fatma Aydin
Pages: 155 - 165
Abstract: Two new compounds, N-benzoyl-N'-tribromophenylthiourea (I) and 4-nitrobenzoyl-N'-tribromophenylthiourea (II), were synthesized and characterized by 1H NMR, 13C NMR, IR, and X-ray single crystal diffraction techniques. The molecular geometry of compounds I and II in the ground state has been calculated by using the density functional theory (DFT) method with the B3LYP/6-311G(d,p) basis set and compared with the experimental data. The calculated results show that the optimized geometry can reproduce well the crystal structural parameters. A detailed vibrational spectral analysis has been carried out, and assignments of the observed fundamental bands have been proposed on the basis of peak positions. The scaled theoretical frequencies show very good agreement with the experimental values. Frontier molecular orbitals energies (HOMO and LUMO), energy gap, and global chemical reactivity parameters such as ionization potential, electron affinity, chemical hardness, and chemical softness have been calculated, and the sites of electrophilic and nucleophilic regions where the molecular interactions likely to happen are identified. The molecular electrostatic potential and thermodynamic properties of the title compounds were investigated by theoretical calculations.
PubDate: 2024-06-30
DOI: 10.5155/eurjchem.15.2.155-165.2551
Issue No: Vol. 15, No. 2 (2024)
- Synthesis, spectral investigation, biological efficacy, and computational
evaluation of the hydroxamic acid chelator and its Zn(II) metal complex
with potent anticancer activity
Authors: Shubham Sharma, Maridula Thakur, Sohini Sharma, Shamsher Singh Kanwar, Meena Kumari
Pages: 166 - 177
Abstract: The biologically active Zn(II) complex [Zn(HL)2] (HL = 3-OCH3C6H4-(CO)NHO) has been synthesized by the reaction of ZnSO4 with potassium 3-methoxybenzohydroxamate (KHL, 3-OCH3C6H4CONHOK) in a 1:2 molar ratio in MeOH solvent medium simply stirring, avoiding drastic conditions and hazardous chemicals. Physicochemical (elemental analysis, molar conductivity) and spectroscopic studies (FTIR, UV-visible, 1H NMR, and 13C NMR) were conducted to characterize the complex. The coordination involving the oxygen atoms of carbonyl and hydroxamic groups (O,O coordination) and the presence of a distorted tetrahedral geometry around the complex have been inferred on the basis of computational studies. Computational investigations indicate that the complex exhibits greater stability in comparison to that of the ligand, and additional calculations were conducted to assess various chemical reactivity parameters. The biological efficacy of the complex has been evaluated through investigations of its antimicrobial, cytotoxic, and anticancer properties, complemented by DNA binding and docking analyzes. The antimicrobial activity of the ligand and the complex against selected bacteria (S. aureus, S. typhi, E. coli, S. flexneri) and fungi (R. solani, A. alternata, and F. sambucinum) was also evaluated. The complex was found to be more toxic against the bacterial species S. typhi and E. coli and showed efficient inhibitory activity against the fungi F. sambucinum and A. alternata. The results were compared with the standard antibacterial drug tetracycline and the antifungal drug amphotericin B. In vitro cytotoxicity assessments were performed using L20B cell lines, which are malignant mouse cells expressing the human poliovirus receptor (CD155), and Rhabdomyosarcoma RD cancer cell lines derived from muscle tissue. The findings revealed decreased cell viability, which is correlated with the increase in the concentrations of the test compounds, demonstrating potent anticancer activity specifically against rhabdomyosarcoma cancer cell lines. Additionally, molecular docking investigations were performed to explore the molecular interactions between the ligand, the complex, and the crystal structure of the A. alternata allergen (3V0R), further supporting the efficacy of both the ligand and the complex.
PubDate: 2024-06-30
DOI: 10.5155/eurjchem.15.2.166-177.2527
Issue No: Vol. 15, No. 2 (2024)
- Exploring solvatochromism in Nile Blue 690 dye: Evaluating dipole moments
across the ground and excited states
Authors: Darukaswamy Tulahalli Hirematada, Mallikarjun Kalagouda Patil, Sanjeev Ramchandra Inamdar, Kotresh Mare Goudar
Pages: 178 - 185
Abstract: This study investigates the photophysical properties of Nile Blue 690 (NB-690) dye using spectroscopic techniques. Absorption and fluorescence spectroscopy were used to analyze NB-690, revealing pronounced bathochromic shifts in both absorption and fluorescence spectra, indicative of the π → π* transition. The study focuses on estimating ground- and excited-state dipole moments of NB-690 through solvatochromic shifts in absorption and fluorescence spectra. Various computational methods, including the Bilot-Kawski approach for ground state dipole moment computation, and the Reichardt correlation, the Bakhshiev, the Lippert-Mataga, and the Kawski-Chamma-Viallet methods for calculating the excited state dipole moment, were utilized. The results demonstrate excited-state dipole moment values of 6.922, 5.529, 5.529, 5.529, and 4.615 D, respectively, using the Lippert-Mataga, Bakhshiev, Kawski-Chamma-Viallet and solvent polarity correlation approaches. Significantly, the excited state dipole moment surpasses the ground state dipole moment, attributed to the significant π-electron density redistribution upon excitation. Intriguingly, both excited- and ground-state dipole moments align parallel to each other at a 0° angle. In general, these findings underscore the potential utility of NB-690 in optoelectronic applications, highlighting its responsiveness to environmental signals and providing valuable information for further exploration in the field.
PubDate: 2024-06-30
DOI: 10.5155/eurjchem.15.2.178-185.2533
Issue No: Vol. 15, No. 2 (2024)
- Entropy of the surface catalytic reaction: Expansion of the advanced H2S
paradigm to novel catalytic systems
Authors: Anatolii Startsev
Pages: 186 - 193
Abstract: The main provisions of the recently developed concept of the crucial role of catalysts in the process of low-temperature decomposition of H2S to produce hydrogen and elemental sulfur are considered. The concept is based on the non-equilibrium thermodynamics of an irreversible process in an open system. It is shown that irreversible chemical reactions prohibited in the gas phase take place on the catalyst surface under conditions of non-equilibrium thermodynamics at ambient temperature and pressure. This became possible due to the Gibbs free energy accumulated on the catalyst surface as a result of exothermic processes of chemisorption and dissociation of H2S molecules and the dissipation of entropy in the form of bound energy into the environment. The innovative proposed method of H2S utilization will replace the long-outdated Claus method of H2S disposal with the production of water and sulfur (up to 100 million tons per year, more than 1,000 units in the world) with advanced technology to produce hydrogen and diatomic gaseous sulfur. Various types of solid catalysts have been developed to implement advanced technology. The advanced H2S paradigm of catalytic processing allows unexpected chemical reactions to be realized that cannot be carried out by traditional methods under normal conditions. Atomically adsorbed hydrogen and sulfur species formed as a result of H2S dissociation can react with chemically inert molecules of methane, CO2, nitrogen, and argon. It is concluded that at the moment all prerequisites have been created for initiating full-scale scientific, technological, and commercial projects to implement the innovative idea of using the toxic substance H2S to serve humanity.
PubDate: 2024-06-30
DOI: 10.5155/eurjchem.15.2.186-193.2518
Issue No: Vol. 15, No. 2 (2024)
- Exploring medicinal potential and drug delivery solutions of Celastrol
from the Chinese "Thunder of God Vine"
Authors: Zimo Ren, Paolo Coghi
Pages: 194 - 204
Abstract: Tripterygium wilfordii (TRWI), known as 'Thunder of God Vine' or 'Lei Gong Teng' in traditional Chinese medicine (TCM), is a perennial vine that has been used for centuries for its potent therapeutic properties. This plant, which belongs to the Celastraceae family, has been documented in various TCM texts, where it has been attributed with a wide range of benefits, including anti-inflammatory, antirheumatic, and anti-autoimmune activities. Central to the medicinal potential of TRWI is celastrol, a triterpenoid with extensive pharmacological activities. Research on celastrol has revealed its effects on combating inflammation, oxidative stress, cancer proliferation, and neurological disorders. However, celastrol’s high toxicity, low water solubility, and limited stability pose challenges for its clinical application. In this review, we explore the chemical structure of celastrol, emphasizing its key pharmacological activities and the structure-activity relationships (SARs) that influence its efficacy and toxicity. Various studies have demonstrated that modifications at specific sites, such as the C-29 carboxylic group, C-6, and C-3, can enhance celastrol’s therapeutic potential while reducing adverse effects. Moreover, recent advances in drug delivery systems offer promising avenues to overcome the inherent limitations of celastrol. These include direct modifications such as PEGylation and indirect modifications through encapsulation in dendritic polymers, phytosomes, liposomes, and exosomes. Each method seeks to improve celastrol bioavailability, water solubility, and target capabilities, thus enhancing its clinical viability. The objective of this review is to synthesize current knowledge about celastrol’s therapeutic potential and discuss the future of its development in drug delivery and pharmaceutical applications. These findings could open the door to new treatment methods that combine traditional remedies with modern pharmacology, helping us unlock the complete potential of celastrol in clinical use.
PubDate: 2024-06-30
DOI: 10.5155/eurjchem.15.2.194-204.2534
Issue No: Vol. 15, No. 2 (2024)
