Spectroscopic Methods Research Articles

Elusive supported surface M2Ox dimer active site (M = Re, W, Mo, Cr, V, Nb, and Ta)

Supported transition metal oxide catalysts are extensively used as heterogeneous catalysts for various energy, chemical, and environmental applications. The molecular structures of dehydrated surface metal oxide phases are crucial for understanding structure-activity/selectivity relationships that guide the design of enhanced catalysts. Some early studies suggested that dimeric (aka binuclear) surface metal oxide sites were more active/selective than monomeric (aka mononuclear) sites, prompting interest in synthesizing catalysts with supported dimeric metal oxide structures. This review examines the literature on dehydrated silica-based supported group 7-5 MOx catalysts (ReOx, WOx, MoOx, CrOx, VOx, NbOx, and TaOx on SiO2, MCM-41, AlOx/SiO2, and H-ZSM-5) for their surface metal oxide structures. In situ Raman, extended x-ray absorption fine structure, and ultraviolet-visible spectroscopy indicate that monomeric surface MOx structures predominate in all such catalysts. Therefore, the cursory use of dimeric surface M2Ox sites in catalytic mechanisms and reaction models in heterogeneous catalysis by supported metal oxides is questionable, and moving forward, the invoking of supporting dimeric surface M2Ox sites should be critically examined and backed up with direct spectroscopic methods.

Design of Carboxylic Acid‐Functionalized Poly(Butylene Adipate‐co‐Terephthalate) for Recyclable and Biodegradable Zero‐Waste Paper Packaging

AbstractDemand for water‐ and oil‐repellent‐coated paper as an alternative to plastics is growing, but the challenge is that coated paper lacks concurrent recyclability and biodegradability. Reported herein is a novel carboxylic acid‐functionalized poly(butylene adipate‐co‐terephthalate) (CPBAT) copolymer investigated for recyclable and repulpable water‐borne paper coatings. The CPBAT synthesized here is characterized by spectroscopic methods. Paper coated with waterborne CPBAT exhibited excellent water, oil, moisture, and gas barrier properties suitable for packaging applications. The recyclability and repulpability of the CPBAT‐coated paper are successfully validated via certified TAPPI methods. This work demonstrates the first successful preparation of coated paper that is per‐ and polyfluoroalkyl substances (PFAS)‐free, recyclable, and biodegradable, with significant benefits for the environment and human health.

Decomposition products of oxygen scavengers and their effect on corrosion of steam generator materials – I. Diethyl-hydroxylamine and carbohydrazide

Hydrazine used as oxygen scavenger in the secondary circuit of pressurized water reactors is hazardous to the environment and potentially carcinogenic, thus, suitable replacement chemicals for it are actively sought. In the present paper, decomposition products of two potential replacements – carbohydrazide and diethyl-hydroxylamine – are analyzed, and their effect on secondary water chemistry and corrosion of the main steam generator materials – carbon steel 22 K, stainless steel 0X18H10T and Alloy 690 – is studied by in-situ electrochemical techniques complemented by ex-situ analyses of the formed oxides by spectroscopic and microscopic methods. Quantitative interpretation of the electrochemical impedance data with the Mixed-Conduction Model allowed for the estimation of oxidation and corrosion release rates depending on scavenger formulation, alloy type and temperature. Conclusions on the extent of interaction of decomposition products with construction materials are drawn based on the experimental and calculational results.

Sodium alumino silicate (SAS) neem nanocomposite – A novel seed storage tool against toxigenic Aspergillus flavus causing deterimental effects on seeds health and quality of rice

Infection of rice grains in the field during harvest and storage by Aspergillus flavus, a toxigenic mold causes significant losses to market acceptability of seeds due to its detrimental effects on seed health and quality parameters. Production of aflatoxin by A. flavus interferes with physiological factors affecting the quality of seeds during storage in addition to nutritional losses to the grains. Chemical seed treatments are generally not recommended during storage due to their adverse effects on seed germination and vigor. Leaves of the neem tree (Azadirachta indica) are well known for antifungal properties against phytopathogenic fungi such as A. flavus. The paper presents the effect of neem leaf extract adsorbed onto sodium alumino-silicate (SAS) nanoparticles against A. flavus in rice seeds during storage. SAS-Neem nanocomposite, a novel unexplored seed storage material against toxigenic A. flavus, was synthesized for augmented antitoxin and seed invigorating potential. The nanocomposite was characterized using an array of microscopic and spectroscopic methods to evaluate the adsorption of neem leaf extract components on SAS nanoparticles. The antifungal mechanism of the nanocomposite was evaluated via scanning electron microscope, phase contrast, and fluorescence microscopy. The toxin analysis of pathogen-inoculated seeds was carried out at monthly intervals for 6 months during storage of two rice varieties, i.e. PR114 and Pusa-Basmati 1121. The results indicated that the nSAS-Neem composite used as seed coating material maintained significantly higher seed germination (86.23 and 81.49%) and minimized seed rot (6.70 and 5.30%, respectively) in the two varieties under study than the control after 6 months of storage. There was a notable decrease in toxin concentration from 20.58 to 11.19 μg/kg and 19.16 to 12.58 μg/kg in seeds of the two varieties i.e. PR114 and Pusa Basmati 1121, respectively. The nano-composite proved effective against toxigenic A. flavus during seed storage of rice without compromising the seed quality parameters.

Towards Nickel-NHC Fluoro Complexes-Synthesis of Imidazolium Fluorides and Their Reactions with Nickelocene.

While hundreds of complexes of the general formula [Ni(η5-C5H5)(NHC)(X)] exist (NHC = a N-heterocyclic carbene, X = Cl, Br, I), none is yet known with X = F. We attempted to prepare such a species by reacting nickelocene with imidazolium fluorides. Three imidazolium fluorides (ImH)+ F- [Im = (N,N'-bis-(R)-imidazolium: 1a, IMe, R = Me; 1b, IMes, R = 2,4,6-trimethylphenyl; 1c, IPr, R = 2,6-diisopropylphenyl)] were prepared and characterized by spectroscopic methods. In addition, the salts 1b [(IMesH)+ F-] and 1c [(IPrH)+ F-] were subjected single-crystal X-ray diffraction experiments. The reactions of these imidazolium fluorides with nickelocene did not lead to [Ni(η5-C5H5)(NHC)(F)] species. Instead, the reaction of 1a [(IMeH)+ F-] and 1b [(IMesH)+ F-] with nickelocene led to the salt 2 [Ni(η5-C5H5)(IMe)2]+ F- and to the square planar complex 3atrans-[NiF2(IMes)2] respectively. Both complexes were characterized spectroscopically and by single crystal X-ray diffraction. All four X-ray diffraction studies reveal hydrogen bonding and hydrogen interactions with the F atom or anion, and in some cases with solvent molecules of crystallization, and these phenomena are all discussed. Complex 2, in particular, exhibited a wide range of interesting H-bonded interactions in the solid state. Complexes 2 and 3a were tested as catalysts for Suzuki-Miyaura coupling but were not promising: complex 2 was inactive, and while 3a did indeed catalyze the reaction, it gave widely diverging results owing to its instability in solution.

Reactions of Ru3(CO)12 with 1,5-bis(diphenylphosphino)pentane: Synthesis, characterization, crystal structure, Hirshfeld surface and QTAIM Analysis of Ru3(CO)10(µ-dpppe)

Reactions of Ru3(CO)12 with 1,5-bis(diphenylphosphino)pentane (dpppe) in THF induced by sodium benzophenone ketyl radical anion, resulted in the expected metal cluster [Ru3(CO)11]2(µ-dpppe) (1) and Ru3(CO)10(µ-dpppe) (2) as the main products. Clusters 1 and 2 were characterized by spectroscopic methods, including Fourier-transform infrared spectroscopy (FTIR) and nuclear magnetic resonance spectroscopy (1H and 31P{1H} NMR).The structural features were determined using single crystal X-ray diffraction analysis. In cluster 1 and 2, the (dpppe) links two trinuclear cluster units via phosphine moieties and bridges to Ru–Ru bond, respectively. Both clusters were stabilized by the presence of C–H⋯O interactions and were further analyzed by Hirshfeld surface analysis. The bonding interactions within cluster 2 were studied using the Quantum Theory of Atoms in Molecules (QTAIM). Various local and integral topological properties of the electron density were calculated, along with the source function (SF) calculations and electron localization function (ELF) analysis.

Coloring Tetrahedral Semiconductors: Synthesis and Photoluminescence Enhancement of Ternary II-III2-VI4 Colloidal Nanocrystals.

Ternary tetrahedral II-III2-VI4 semiconductors, where II is Zn or Cd, III In or Ga, and VI S, Se, or Te, are of interest in UV radiation detectors in medicine and space physics as well as CO2 photoreduction under visible light. We synthesize colloidal II-III2-VI4 semiconductor nanocrystals from readily available precursors and ascertain their ternary nature by structural and spectroscopic methods, including 77Se solid-state NMR spectroscopy. The pyramidally shaped nanocrystals range between 2 and 12 nm and exhibit optical gaps of 2-3.9 eV. In the presence of excess anions on the particle surface, treatment with Lewis acidic, Z-type ligands results in better passivation and enhanced photoluminescence. Electronic structure calculations reveal the most stable, lowest energy polymorphs and coloring patterns. This work will pave the way toward more environmentally friendly, ternary semiconductors for optoelectronics and electrocatalysis.

Catalytic Ozonation Treatment of Coal Chemical Reverse Osmosis Concentrate: Water Quality Analysis, Parameter Optimization, and Catalyst Deactivation Investigation.

Catalytic ozone oxidation, which is characterized by strong oxidizing properties and environmental friendliness, has been widely used in organic wastewater treatments. However, problems such as a low organic pollutant removal efficiency and unstable operation during the catalytic ozone treatment process for wastewater remain. To address these disadvantages, in this study, the treatment efficacy of catalytic ozone oxidation on a coal chemical reverse osmosis concentrate was investigated. The basic water quality indicators of the chemical reverse osmosis concentrate were analyzed. The effects of initial pollutant concentration, pH, ozone concentration, and catalyst concentration on the COD removal rate from the coal chemical reverse osmosis concentrate were explored. Water quality indicators of the chemical reverse osmosis concentrate before and after the catalytic ozone treatment were studied using spectroscopic analysis methods. The RO concentrate demonstrated large water quality fluctuations, and the catalytic ozonation process removed most of the pollutants from the treated wastewater. A possible deactivation mechanism of the ozone catalyst was also proposed. This study provides a theoretical reference and technical support for the long-term, efficient, and stable removal of organic pollutants from coal chemical reverse osmosis concentrate using a catalytic ozone oxidation process in practical engineering applications.

Green synthesis, characterization, antioxidant, anti-fungal, antibacterial activities of a new 1-isopropyl-3,5-di-2-tolyl-1,3,5-triazacyclohexane

This work presents the green synthesis of a novel of 1- isopropyl- 3, 5- di-2-tolyl- 1, 3, 5-triazacyclohexane in good yield. It is made without a solvent, energy, and a catalyst as a green technique via a one-pot multi component condensation reaction between one equivalent of isopropylamine, two equivalents of o-toluidine, and three equivalents of formaline. The compound's structure has been determined using several spectroscopic methods, including thin-layer chromatography (TLC), ultraviolet-visible spectroscopy (UV-Vis), infrared spectroscopy (IR), and nuclear magnetic resonance spectroscopy (NMR) for both 1H and 13C nuclei. Additionally, the compound 'smelting point was determined. Subsequently, the molecule was evaluated for its antioxidant and biological activities. The antioxidant activity exhibited good performance in both the ABTS and Phenanthrolinetests. The antimicrobial activity of this novel compound was tested against four bacterialstrains, including two Gram-positive bacteria (Staphylococcus aurous ATCC 25923 and Bacillus cereus ATCC 10876) and two Gram-negative bacteria (Escherichia coli ATCC 25922, Pseudomonas aeruginosa ATCC 27853), as well as two fungal strains (Fusarium oxysporum and Alternariaalternata)using the agar diffusion method and the direct contact method, respectively. The obtained results exhibited a high level of antibacterial and antifungal activity.

Cu(II)-tyrosinase enzyme catalyst mediated synthesis of mosquito larvicidal active pyrazolidine-3,5-dione derivatives with molecular docking studies and their ichthyotoxicity analysis

The objective of this study was to develop pyrazolidine-3,5-dione derivatives with potential as environmentally friendly pesticides for pest control, specifically focusing on their efficacy as larvicidal agents. A novel one-pot synthesis of multicomponent pyrazolidine-3,5-dione derivatives (1a-m) was accomplished via the grindstone method using Cu(II)tyrosinase enzyme as a catalyst under mild reaction conditions, yielding 84%–96%. The synthesised derivatives (1a-m) were characterized using various spectroscopic methods (mass spectrometry, elemental analysis, FT-IR, and 1H and 13C NMR). NMR characterisation using DMSO-d6 as a solvent. The larvicidal and antifeedant activities of the synthesised compounds were screened and in silico computational studies were performed. The larvicidal activity against Culex quinquefasciatus and antifeedant activity against Oreochromis mossambicus were evaluated. Among the synthesised compounds, compound 1c demonstrated superior efficacy (LD50: 9.7 μg/mL) against C. quinquefasciatus compared to permethrin (LD50: 17.1 μg/mL). Regarding antifeedant activity, compounds 1a, 1e, 1f, 1j, and 1k exhibited 100% mortality at 100 μg/mL. Molecular docking analysis was performed to assess the binding capacity of a mosquito odorant-binding protein (3OGN) from Culex quinquefasciatus to compound 1c. The results revealed that compound 1c had a docking score of -10.4 kcal/mol, surpassing that of standard permethrin (-9.5 kcal/mol). Furthermore, DFT calculations were conducted to acquire theoretical data aligned with the experimental FT-IR results. According to experimental research, compound 1c demonstrates promising larvicidal activity against mosquito larvae of C. quinquefasciatus.

Silver(I) complexes with antifungal drug econazole: Structural characterization and antimicrobial activity study

Two new silver(I) complexes with the antifungal agent econazole (ecz) of the general formula [Ag(еcz)2]X, X = CF3SO3− (Ag1) and PF6− (Ag2), were synthesized and structurally characterized by spectroscopic (1H NMR, IR and UV–Vis) and electrochemical methods. The crystal structure of Ag2 was determined by single crystal X-ray diffraction analysis, confirming an ideal linear geometry of the silver(I) ion in this complex. In addition, by utilising Hirshfeld surface analysis (HSA), it was verified that the crystal structure of Ag2 is stabilized by H⋯H, H⋯Cl, C⋯H, and H⋯F interactions. Density functional theory (DFT) calculations provided additional evidence for formation of the complexes in the solid state and their stability in solution. The coordination of ecz to the silver(I) ion endowed this agent with antibacterial activity against Gram-positive (Pseudomonas aeruginosa and Escherichia coli) and Gram-negative (Staphylococcus aureus and Listeria monocytogenes) bacteria. The most significant antibacterial activity of Ag1 and Ag2 was observed against S. aureus with 56- and 73-fold improvement, respectively, compared to the parent drug. Moreover, a study of the bacterial antibiofilm activity revealed that these complexes were able to prevent approximately 90 % of biofilm formation at their low concentrations. Also, both complexes have shown more pronounced anti-Candida activity than econazole itself, being less toxic on the human normal fibroblast cell line MRC-5. The total amount of ergosterol was reduced in the presence of the subinhibitory concentrations of Ag1 and Ag2 complexes, which was also confirmed by a molecular docking study with two isomers of cytochrome P450 sterol 14α-demethylase, CYP51B and CYP130, as target receptors.

First Investigation of Secondary Metabolites from Aspergillus xerophilus Reveals Compounds with Inhibitive Effects against Three Phytopathogenic Fungi of Agrarian Crops.

Fungal secondary metabolites play a highly significant role in crop protection, which is related to their antifungal activity against agriculturally important phytopathogens. In fact, plant diseases caused by fungi including species belonging to the genera of Alternaria, Botrytis, and Fusarium have become increasingly serious affecting crop yield and quality. Hence, there is increasing awareness by the scientific community of the importance of exploiting fungal products for finding new compounds able to inhibit phytopathogens. In this study several drimane-type sesquiterpenes have been detected for the first time as products of Aspergillus xerophilus by GC-MS analysis of the organic extracts obtained from the mycelia and culture filtrates of the fungus grown on two different substrates. Seven pure drimane-type sesquiterpenes were also isolated and identified by spectroscopic methods. The inhibitory effects of the pure compounds have been investigated against three phytopathogenic fungi of agrarian crops (i.e., Botrytis cinerea, Alternaria alternata, and Fusarium oxysporum f. sp. pisi). Among the drimane-type sesquiterpenes isolated in this study, 9,11-dihydroxy-6-oxodrim-7-ene is the most active against the three phytopathogens. Our findings also reveal the high sensitivity of A. alternata to the isolated compounds. These results pave the way for future applications in agriculture of both A. xerophilus and its metabolites.

The Antiphytopathogenic Metabolites and the Synergy of Endophytes Paraphaeosphaeria sp., Nigrospora oryzae from the Same Ginkgo biloba Host.

Two endophytes from the same Ginkgo biloba host were isolated and cultured separately. Three new eremophilane sesquiterpenoids (1-3), three new furan derivates (6, 8-9), one new polyketide (10), and four known compounds (4, 5, 7, 11) from Paraphaeosphaeria sp. and two new 10-membered macrolides (12-13), a new liner polyketide (14), a new benzofuran (15), and six known compounds (16-21) from Nigrospora oryzae were isolated. The structures of the isolated compounds were determined by spectroscopic methods, NMR calculations, and ECD calculations. The compounds 3-7, 9-10, 12, and 14-17 showed significant antiphytopathogenic effects against mycotoxigenic Alternaria sp. comparable to the activity of nystatin (positive control). Compounds 2, 6, 8, 9, and 18 indicated inhibitions against phytopathogen Fusarium asiaticum with MICs < 10 μg/mL. In addition, the compounds with weak antifungal activities from two endophytes were mixed to test their antifungal activity. The results showed that the metabolites from two endophytes had synergistic antifungal effects, and the beneficial interactions between natural products can induce more antifungal effects against plant pathogens than that of single compounds.

Synthesis and evaluation of in vitro antioxidant, anticancer, and antibacterial properties of new benzylideneiminophenylthiazole analogues

A series of new benzylideneiminophenylthiazole analogues were designed and synthesized. Common spectroscopic methods, such as FT-IR, 1H-, 13C-NMR, and MASS spectra, and elemental analysis, were used to confirm the molecular structures. Then, the antioxidant, cytotoxicity, and anti-bacterial effects of synthesized analogues were assessed against 2,2-diphenyl-1-picrylhydrazyl (DPPH), three cancer cell lines, and two bacterial strains, respectively. Among the analogues, 7f was detected as the most potent compound for antioxidant activity. Moreover, the compounds 7b, 7f, and 7 g exhibited the maximum cytotoxicity activity against MCF-7, HepG-2, and A549 cell lines, respectively. Finally, 7e showed the highest anti-bacterial activity against both S. aureus and E. coli strains. It was concluded from the antioxidant, cytotoxicity, and anti-bacterial effects that the benzylideneiminophenylthiazoles might serve as candidate molecules for the development of small molecules with medicinal potential.

Multispectral investigation of natural resins.

Resins have been used as remedies since ancient times and various embalming resins have been identified in recent years. In Europe, Mumia vera aegyptiaca, a resinous substance from ancient Egyptian mummies, was even sold in pharmacies as a tonic until the early 20th century. It is difficult to examine the composition of these archeological samples in detail as the well-established analytical techniques, that is, gas chromatography-mass spectrometry or liquid chromatography coupled with tandem mass spectrometry, are destructive and therefore do not allow the analysis of valuable archeological samples. Hence, there is an urgent need for alternative, nondestructive methods for the identification of resin residues. This study aims to explore and compare the use of five spectroscopic methods as an alternative to established analytical procedures. For that, 15 resin samples of known origin and three samples from an Egyptian market were studied. While laser induced-breakdown spectroscopy and terahertz time-domain spectroscopy provide only limited information for resin classification, nuclear magnetic resonance spectroscopy and Fourier-transform infrared spectroscopy can be used to classify the resin samples more accurately. Furthermore, photoluminescence/photoluminescence excitation spectroscopy shows a promising potential in combination with its general advantages, such as cost-efficiency, nondestructive nature, and fast data acquisition.

Investigation of the interaction mechanism and enzyme activity of trypsin with cerium oxide nanoparticles

In this study, the interaction mechanism and native conformational variation of trypsin (Try) affected by CeO2 nanoparticles (NPs) were systematically studied via various spectroscopic methods. The results of fluorescence spectroscopy revealed that CeO2 NPs markedly quenched the endogenous fluorescence of Try via the mechanism of static quenching. The main forces that contributed to the binding of Try and CeO2 NPs were van der Waals forces, hydrogen bonds, and electrostatic forces, as observed by the binding constants and significant thermodynamic characteristics of the two substances. The incorporation of CeO2 NPs lead to a slight change in the structure of Try, as shown by synchronized fluorescence spectroscopy, three-dimensional fluorescence spectroscopy and circular dichroism (CD) spectroscopy. Moreover, the enzyme activity of Try decreased with the addition of CeO2 NPs. This study is highly important for fully evaluating the use of CeO2 NPs in biomedical sciences and is helpful for clarifying the mechanism between Try and CeO2 NPs at the molecular level.

Isolation, characterization and antimicrobial activity study of Thymus vulgaris

Herbal medicines are important for ensuring sustainable development goals (SDGs) in healthcare, particularly in developing countries with high rates of antimicrobial resistance (AMR) and little access to medical facilities. Thymus vulgaris is a widely used herbal medicinal plant known for its secondary metabolites and antimicrobial properties. The present study involved a comprehensive examination of the isolation, characterization, and antibacterial activity of Thymus vulgaris obtained from Ethiopia. The aerial part of the plant Thymus vulgaris was successively extracted with hexane, chloroform, and methanol based on differences in polarity. Phytochemical screening tests conducted against hexane, chloroform and MeOH crude extracts indicated the presence of some secondary metabolites. Based on the thin-layer chromatography tests, the chloroform extract was subjected to column chromatography, yielding Tv-2 compounds, namely 5-isopropyl-2-methylphenol. The structures of the compounds were elucidated via spectroscopic methods (UV–Vis, FT-IR and NMR). We investigated the antibacterial properties of hexane crude extract, chloroform crude extract, MeOH crude extract, and isolated fractions derived from T. vulgaris against various bacterial strains. This study contributes to a better understanding of the bioactive components present in Thymus vulgaris crude extracts and their potential role in tackling microbial infections.

A multifunctional DNA tetrahedron for imaging, gene therapy, and chemotherapy-phototherapy combination: Binding affinity and anticancer activity

Imaging, silencing cancer-related microRNA, and chemotherapy-phototherapy (CTPT) combination therapy are crucial for cancer diagnosis and drug resistance overcoming. In this study, we designed a multifunctional DNA tetrahedron (MB-MUC1-TD) for the targeted delivery of combined daunorubicin (DAU) + toluidine blue O (TBO). The detection limit of miRNA-21 was determined to be 0.91 nM. The intercalation of DAU and TBO into MB-MUC1-TD was proved by spectroscopic and calorimetric methods. The thermodynamic parameters for the interactions of DAU and/or TBO with MB-MUC1-TD confirmed high drug loading. The first addition of TBO in the ternary system achieved a higher loading of both drugs and a more stable complex structure. Deoxyribonuclease I (DNase I) accelerated the release of DAU and/or TBO loaded in MB-MUC1-TD. Confocal laser scanning microscope demonstrated that MB-MUC1-TD exhibited good imaging ability for miRNA-21 to accurately identify cancer cells, and DAU/TBO was predominantly distributed within the nucleus of cancer cells. In vitro cytotoxicity showed better gene therapy efficacy of MB on MCF-7 cells, better biocompatibility of loaded DAU and TBO on LO2 cells, and stronger synergistic cytotoxicity of DAU + TBO on MCF-7/ADR cells. This study may establish a theoretical foundation for co-loading CTPT combination drugs based on multifunctional DNA nanostructures.

Radiobiological Applications of Vibrational Spectroscopy: A Review of Analyses of Ionising Radiation Effects in Biology and Medicine

Vibrational spectroscopic techniques, such as Fourier transform infrared (FTIR) absorption and Raman spectroscopy (RS), offer unique and detailed biochemical fingerprints by detecting specific molecular vibrations within samples. These techniques provide profound insights into the molecular alterations induced by ionising radiation, which are both complex and multifaceted. This paper reviews the application of rapid and label-free vibrational spectroscopic methods for assessing biological radiation responses. These assessments span from early compartmentalised models such as DNA, lipid membranes, and vesicles to comprehensive evaluations in various living biological models, including tissues, cells, and organisms of diverse origins. The review also discusses future perspectives, highlighting how the field is overcoming methodological limitations. RS and FTIR have demonstrated significant potential in detecting radiation-induced biomolecular alternations, which may facilitate the identification of radiation exposure spectral biomarkers/profiles.

Some New Bis-(1,2,4-Triazole) Compounds: Synthesis, Characterization and Urease Enzyme Inhibition

In this study, thiosemicarbazide derivatives (2a-c) were obtained from the reaction of acetohydrazide derivative 1,2,4-triazole compound (1) with methyl isothiocyanate, phenyl isothiocyanate, and 4-methylphenyl isothiocyanate compounds, respectively. Then, by intramolecular cyclization of 2a-c compounds, bis-(1,2,4-triazole) compounds (3a-c) were synthesized. The synthesized compounds' chemical structures were verified using FT-IR, 1H-NMR, and 13C-NMR spectroscopic methods. In addition, the urease enzyme inhibition of the synthesized compounds was evaluated using the Weatherburn method in vitro. All newly synthesized compounds showed urease enzyme inhibition in the range of 15.00 ± 0.10 to 16.00 ± 0.25 IC50 (µg/mL) compared to standard thiourea (IC50 = 15.75 ± 0.15 µg/mL).