Iranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-723712420250301Multiple heteroatom additions effect on the empirical rule for organic corrosion inhibitors with nitrogen, oxygen, and sulfur atoms, a DFT approach.50151870539110.22034/ijnc.2023.1995885.1344ENValentineOsidepartment of chemistry, Ignatius Ajuru University of Education0000-0001-6255-7603Kingsley JohnOrieChemistry, Ignatius Ajuru University of Education, Nigeria0000-0002-5110-7161KeerabanaSorbariDepartment of Chemistry, Ignatius Ajuru University of Education, NigeriaJournal Article20230611The purpose of this study was to investigate using density functional theory (DFT) whether the general trend of inhibition efficiency, which is in the order of O<N<S, and increased inhibition as the number of heteroatoms increases, holds true under all conditions. Sixteen organic compounds which consisted of N, O, and S atoms in different combinatory ratios were used and were studied using B3LYP level of theory and 6-31G(d,p) basic set with iron being the metal of consideration. It was found that the order O<N<S only applies to single heteroatom configurations, increasing the number of heteroatoms does not always result in increased inhibition, and O played a significant role in improving a compound’s inhibition efficiencies. The multiple heteroatom configuration was in the order of O and N < N and S < O and S, resulting in an order trend of inhibition efficiencies of N<O< S. Therefore, a compound with more O or S and less N atoms would thus be a better corrosion inhibitorhttps://www.ijnc.ir/article_705391_271283f5fa190ce1b19522273fcfd9ae.pdfIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-723712420250301Synthesis and characterization of biocompatible and magnetic ESW-Fe3O4-Cit nanocomposite by a green one-pot route51952870511610.22034/ijnc.2023.1999100.1330ENElahehMosaddeghDepartment of New Materials, Institute of Science and High Technology and Environmental Sciences, Graduate University of Advanced TechnologyAsaddollah ,Hassan KhaniGraduate University of Advanced Technology, KermanJournal Article20230327Magnetic nanocomposite, ESW-Fe3O4-Cit, was synthesized via a novel, low cost and green co-precipitation method using eggshell waste nanopowder and FeSO4. In the present procedure, eggshell (ES) nanopowder was prepared from food waste by collecting, washing, and ball milling. Nano eggshell waste (ESW) was modified by FeSO4 and trisodium citrate under natural conditions without additional alkali and a protective atmosphere. Trisodium citrate was used as a modifier and stabilizing reagent to form well dispersed small size and coated magnetic nanoparticles which should be ascribed to a large reduction of the surface electrostatic charge of the nanoparticles. The ESW-Fe3O4-Cit nanocomposite exhibits larger magnetization (14.6 emu/g) as compared to the uncoated composite (7.68 emu/g). Trisodium citrate causes an interesting increase in magnetic properties after coating on the magnetic eggshell waste nanopowder, due to the prevention of agglomeration causing self-Neel and Brownian Relaxation. The magnetic nanocomposite was fully characterized by FTIR spectroscopy, TEM and FESEM images, XRD, Zeta potential, DLS, and VSM analysis.https://www.ijnc.ir/article_705116_5cb79967efff2e1feacb4b7c1644b80a.pdfIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-723712420250301Fusion of Power and Storage: Leveraging Nuclear Energy for Hydrogen Production and Advanced Energy Storage52953970601010.22034/ijnc.2023.2006061.1348ENAkashSinghDepartment of Chemistry, University of Delhi, In0000-0001-8053-3621YashiMishraP.G. Student, Department of Chemistry, School of Advance Sciences, VIT-AP UniversityJournal Article20230702Hydrogen is significant and may be viewed as an alternative for main fossil fuels, coal, crude oil, and natural gas, as well as its derivatives when utilized as fuel. It has the potential to be a clean, efficient, and inexpensive energy source. Being an environmentally friendly energy source, hydrogen is a good alternative to the current fossil fuels. Researchers' interest in the topic of green energy has been sparked by current developments in the hydrogen economy. Hydrogen is stored through a variety of techniques. Our review first focuses on different categories of renewable and non-renewable energy sources, after which we go into great detail regarding the hydrogen economy. One strong contender for a sustainable energy source is hydrogen. The benefits of hydrogen and its uses in various industries are discussed. Before moving on to hydrogen storage techniques, we first explore various hydrogen synthesis techniques. The ideal method for storing hydrogen is electrochemical since it produces hydrogen on-site and stores it at normal pressure and temperature conditions. As a result, energy resources should be combined with energy storage devices in order to offer continuous power. This paper examines the various storage systems and concentrations on energy storage systems based on hydrogen.https://www.ijnc.ir/article_706010_2bf7c1804f4f3ddf9237f5680992cf30.pdfIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-723712420250301Voltammetric sensor for Nifedipine at woolen ball-shaped nanostructure modified glassy carbon electrode54055271197710.22034/ijnc.2024.2022678.1376ENMohammad MehdiForoughiDepartment of Chemistry, Kerman Branch, Islamic Azad University, Kerman, Iran0009-0005-8178-4314ShohrehJahaniBam University of Medical Sciences, Bam, IranSoroushRashidiDepartment of Civil Engineering, Islamic Azad University, Kerman, IranJournal Article20240210This work faces this challenge by the development of a novel electrochemical sensor via modifying a glassy carbon electrode (GCE) with woolen ball-shaped La3+/TiO2 nanostructure (WB-S La3+/TiO2-NS) for the detection of Nifedipine (NFP). Different characterization techniques indicate the successful synthesis of desired composite materials. Modified electrode exhibited higher peak current than the bare GCE, with excellent electrocatalytic ability to oxidize NFP, due to its higher conductivity, catalytic effect and synergistic effects between La3+ and TiO2 nanostructure. Under optimized condition, differential pulse voltammograms (DPV) demonstrate that the oxidation peak current was proportional to its concentration in the range of 0.001–500.0 µM (R2 = 0.9997) and low detection limit (0.43 nM). In addition, the modified electrode affirms good stability and reproducibility, making it simple, cost effective with high sensitivity. The results confirmed that making a composite is a key strategy for improving the physicochemical properties of TiO2 nanostructure and that modifying electrode surfaces with novel composites can enhance the detection of NFP.https://www.ijnc.ir/article_711977_0415a2ad212ed21078c03d23f0064e1b.pdfIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-723712420250301Using an Agriculture Waster for Eliminating BG from Waste Water55356670539010.22034/ijnc.2023.2004510.1343ENAkashSinghDr. Hari Singh Gour University Sagar M.P0000-0001-8053-3621YASHIMISHRADepartment of Chemistry, School of Advance Sciences, VIT-AP UniversityJournal Article20230611The ability of rice husk (RH) to remove four different types of dye pollutants from wastewater—methylene blue, Congo red, brilliant green, and crystal violent—using various design parameters is the subject of this article. The initial concentration of the dye, the absorbance material packing height, which was RH, the pH of the dye solution feed inlet, the treatment time, the feed flow rate, and the feed temperature were the design parameters studied to adsorb the above four dyes using RH as an adsorbent material. These parameters were varied from (1-100) mg/l, (10-100) cm, (1-8), (1-60) min, (5-100) ml/hr, and (20-55°C The results demonstrate that for brilliant green, Congo red, crystal violent, and methylene blue dyes from aquatic solution, the highest removal efficiency was (95.81, 93.44, 96.62, and 96.35)%, respectively. and while the removal efficiencies rose with increasing absorption material bed height and feeding temperature, these efficiencies declined with increasing starting concentration and flow rate. For methylene blue, brilliant green, and crystal violent dyes, the removal efficiency rose with rising pH of solution, however it reduced for Congo red dye with increasing pH of solution. The elimination efficiency of the dyes employed in this study's dyes is integrated with all operating parameters to create a general equation using a statistical model. By doing this, we can get rid of agricultural waste RH as well as hazardous dyes that have tainted the water.https://www.ijnc.ir/article_705390_713edc75688c50fb5e36f0ec8841877c.pdfIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-723712420250301Spatial And Temporal Variations In The Concentrations Of Polycyclic Aromatic Hydrocarbon, In Ambient Air From Three Different Locations In River State, Nigeria.56758070912610.22034/ijnc.2023.2009756.1356ENEkpo EkokoduRoseDept. of Chemistry, Ignatus Ajuru University of Education, River StateObruche KennedyErienuDelta State college of education, Mosogar0000-0002-6559-4482Abiye Clement.MarcusDept. of Chemistry, Ignatus Ajuru University of Education, River State.Journal Article20230822This research study was conducted due to growing industrial activities and the associated consequences around the study areas to evaluate the temporal and spatial variations in the concentrations of polycyclic aromatic hydrocarbon (PAHs) content in ambient air from Eleme,Aluu and Ikoku in Rivers state, Nigeria. The duration of this study lasted from April, 2021 through January, 2022 which covered both dry and wet seasons. PAHs in ambient air were collected from these three different locations using air sampler (Mini volair sampler) and analysed in the laboratory using Gc-Ms. During the dry season, some of the PAHs were below detection limit, while some were detected. The mean concentrations of the PAHs detected range from 0.122 ± 0.065 to 0.600 ± 0.132 mg/kg,0.113 ± 0.037 to 0.407 ± 0.282 mg/kg and 0.360 ± 0.267 to 2.220 ± 2.183 mg/kg for Eleme,Ikoku and Aluu respectively. During the wet season, the mean concentrations of the PAHs detected range from 0.118 ± 0.081 to 0.737 ± 0.108 mg/kg and 0.398 ± 0.284 to 0.992 ±0.702 mg/kg for Eleme and Ikoku respectively. The mean concentrations of the polycyclic aromatic hydrocarbons reported are all above the WHO standard which is 0.0002 mg/kg. The results of this research are clear indication that the ambient air within the study areas is quite pollutedhttps://www.ijnc.ir/article_709126_e2b04966d14053e8684312fa0bb3e05c.pdfIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-723712420250301Design, Synthesis and Biological Evaluation of Chromone Fused 1,3,4-Thiadiazoles as Highly Potent Nontoxic Inhibitors of Enoyl-Acyl Carrier Proteins in M. tuberculosis58160671034710.22034/ijnc.2024.2020026.1369ENBabasaheb VKendreAmbajogai road, parli-Vaijnath
Dist. Beed0000-0003-4804-8241Pawan SHardasVaidyanath College, Parli-Vaijnath0009-0005-8725-500xRajashri CPatVaidyanath College, Parli-VaijnathRushikesh BKendreMIMSR Ambajogai road, Latur
Dist. BeedMahadev GLandgeVaidyanath College, Ambajogai road, parli-Vaijnath
Dist. BeedSudhakar RBhusareDSM, College, ParbhaniJournal Article20240110A series of 12 novel chromone fused 1,3,4-thiadiazoles were designed and synthesized via an efficient and convenient synthetic route starting from a 3-formyl chromone. In vitro evaluation of all the derivatives was carried out to demonstrate their inhibitory potential against Mtb. Anti-tubercular evaluation via the MABA assay revealed that compounds 5b, 5d, 5f, 5 g and 5 h significantly inhibited the Mycobacterium tuberculosis H37Rv strain, with MICs in the range of 3.0-8.0 µg ml-1. Moreover, the experimental results demonstrated the excellent anti-tubercular potential of compounds 5d and 5f against Mtb with MICs of 3.0 and 4.0µg ml-1. In addition, molecular docking was performed to determine more favorable molecular interactions with the four target enzymes. Molecular docking and binding energy studies revealed the potential of four selected compounds to bind to the enoyl-acyl carrier protein reductase of Mtb which is involved in the biosynthesis of mycolic acid. Interestingly, the binding energies (-8.50 to -10.08 kcal/mol) of all the selected compounds were found to be greater than that of standard drugs. The chemoinformatics study revealed excellent ADME profiles for all the selected compounds, confirming their importance in the treatment of Mtb.https://www.ijnc.ir/article_710347_e35500b6faa4521d1d2a885ada83f83c.pdfIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-723712420250301Removal of Fe(II) from Aqueous Solution Using Characterized Cellulose of Pentaclethra macrophylla Benth Pod: Adsorption, Thermodynamic, and Kinetic Studies60763470798310.22034/ijnc.2023.2006462.1349ENKINGSLEY JOHNORIEDepartment of Chemistry, Ignatius Ajuru University of Education, Rivers State, Nigeria0000-0002-5110-7161Okechukwu PaulNsudeDepartment of Industrial Chemistry, Enugu State University of Science and Technology,Enugu State, Nigeria.Journal Article20230708The study describes the removal of iron(II) ions from aqueous solutions using characterized cellulose derived from Pentaclethra macrophylla Benth pod, as well as the adsorption isotherm, thermodynamic, and kinetic analyses of Fe(II) ion on raw and isolated cellulose. Cellulose was isolated from the pod of Pentaclethra macrophylla Benth via delignification and bleaching. X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier Transform Infrared Spectrometry (FTIR), Brunauer–Emmett–Teller (BET) analysis were used to characterize the raw and isolated cellulose. The adsorbents were further characterized using adsorption isotherms, kinetics, and thermodynamic models. The isolated cellulose has better thermal stability, crystallinity, and porosity than the raw. The crystallinity index of isolated cellulose was estimated at 32.4%. From the findings, Fe(II) removal was around 95.33% at 30°C, 93% at 150 minutes contact time, 87.34% at the initial concentration of metal ions of 50 mg/g, and 78.20% at a pH of 8. The isotherms data were consistent with all models, but the Feundlich and Temkin models fit better than the Langmuir isotherm. This is the basis that the R2 in both the Feundlich and Temkin models were at the range of 0.9109–0.9992. The ΔG° values for Fe(II) in cellulose increased with increasing temperature and were all less than -5 kJ/mol. Thus, it implies physical adsorption and exothermic processes. The adsorption of Fe(II) with cellulose followed a pseudo-second-order adsorption. The results suggest that Pentaclethra macrophylla Benth pod has a high possibility of being used as an effective and economical adsorbent for the removal Fe(II) ionhttps://www.ijnc.ir/article_707983_57787633a185b701f1e135be880cef20.pdfIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-723712420250301Role of Carbon Nanotubes as Energy Storage Materials63564571912910.22034/ijnc.2021.534324.1170ENKeshav K.SinghDepartment of Chemistry, Dr. Hari Singh Gour Central University, Sagar-470003, IN0000-0003-4812-4478BharatKachhiDr. Hari Singh Gour University, Sagar, M.P. IndiaAkashSinghDr. Hari Singh Gour University Sagar M.P0000-0001-8053-3621Dhanip K.SharmaDr. Hari Singh Gour Central University, Sagar-470003, INJournal Article20210718Graphene and carbon nanotubes (CNTs) have gotten a lot of attention because of their varied nanostructures, making it a very intriguing and comprehensive topic in nanotechnology. Graphene and carbon nanotubes (CNTs) both have unique electrical, mechanical, thermal, catalytic, and electrochemical features because they are made up of sp2 hybridized carbon atoms. Carbon nanotube hybrid nanostructured materials (CNT hybrid nanocomposites), Carbon nanotubes (CNTs), and nanotechnology have the potential to improve energy conversion and storage device applications. Carbon nanotubes are being evaluated for application in renewable energy sources, including solar cells and hydrogen storage. Carbon nanotubes (CNTs) are utilized in storage technologies such as Li-ion batteries, supercapacitors, and thermal energy harvesting. We describe the functions of carbon nanotubes (CNTs) in new energy storage technologies, particularly electrochemical supercapacitors and Lithium-ion batteries, in this study. The use of carbon nanotubes in binder-free electrodes, microscaled current collectors, and adaptable and stretchy energy storage systems is also explored.https://www.ijnc.ir/article_719129_d26bfb8336043cf7b913c0a1990082b2.pdfIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-723712420250301CONTROLLED SYNTHESIS OF SILICA PARTICLES USING EXTRACTION-PRECIPITATION METHOD64665570900210.22034/ijnc.2023.2015271.1364ENMustaphaSulaimanBaurawa QuartersNaseerInuwa Durumin IyaDepartment of Chemistry, Federal University Dutse, Jigawa, NigeriaMamuduAliyuDepartment of Chemistry, Federal University Dutse, Jigawa, NigeriaSa AdatuMuhammed EriDepartment of Chemistry, Federal University Dutse, Jigawa, NigeriaHamzaBadamasiDepartment of Chemistry, Federal University Dutse, Jigawa, NigeriaJournal Article20231110The extraction-precipitation method has been a desired method of synthesizing silica particles. In this work, silica particles were synthesized from sugarcane bagasse using this method. The identity of the particles was determined with Fourier Transform Infra-Red (FT-IR), and the particle size was measured with a Scanning Electron Microscope (SEM). Smaller-sized silica particles were obtained by extracting silica with sodium hydroxide from the sugarcane bagasse and obtaining the precipitate by bringing the pH down. In order to increase the size, sodium hydroxide was again added to the silicate solution before the pH was brought down, and the obtained precipitate was heated to a higher degree Celsius. Its hydroxyl content was also reduced. Previous studies have revealed the potential of sodium hydroxide addition for silica particle increment using the Stober method. We reported here an increase in silica particle size with the aid of sodium hydroxide as a catalyst through a greener technique, the extraction-precipitation method.https://www.ijnc.ir/article_709002_abd48a70c499f2f5636d4c975837eb70.pdfIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-723712420250301Metal complexes of Co(II), Ni(II) and Zn(II) complexes of Schiff base derived from 2-aminothiophenol and 2-methoxyphenylacaetaldehyde, synthesized, characterized and their microbial activity65667170912710.22034/ijnc.2023.2007951.1350ENIshaq YahayaLawan114
Gwangwazo0000-0002-9873-2298Abubakar MansurIbrahimDepartment of chemistry Aliko dangote university of science and technology wudilUmar LawanMusaDepartment of chemistry Aliko dangote university of science and technology wudilAminuAhmedDepartment of chemistry Aliko dangote university of science and technology wudilSunusiYahayaDepartment of chemistry Aliko dangote university of science and technology wudilJournal Article20230727Metal complexes of Co(II), Ni(II) and Zn(II) complexes of Schiff base derived from 2-aminothiophenol and 2-methoxyphenylacaetaldehyde have been synthesized and characterized by conductivity measurement, magnetic measurement and spectroscopic analysis. Infrared spectra of the Schiff base revealed azomethine peak at 1640 cm-1 . This band was shifted to higher or lower wave numbers in the complexes, indicating the participation of the azomethine nitrogen in coordination (M-N), also a new peak in the range of 717 – 786 cm-, the participation of the SH group in chelation is ascertained from the shift of the and υ(C-S) from 730 cm-1 and 758 cm−1 to lower or higher wave numbers in the spectra of the complexes. New bands at 780-750 cm-1, 660-700 cm-1 been assigned to υ(M-N) and υ(M-O) respectively. Conductance measurement (1.64 – 30.50 Ohm-1 cm2 mol-1) suggested the non-electrolytic nature of all the complexes. Magnetic susceptibility analysis of the complexes gave results in the range of 1.94 – 5.32 B.M. suggesting octahedral geometry for all the complexes. The metal ligand reacting ratio was confirmed by Jobs method of continuous variation. From the Job’s plot the number of coordinated ligand was determined which indicate a 1:2 metal ligand ratio for the metal complexes. The Schiff base and its metal chelates were screened for antimicrobial activity against six pathogenic microbes (Staphyloccus aureus, Escherichia coli Candida albican, and Mucor indicus), the Schiff base shows moderate activity, while the complexes show higher antimicrobial activity against the tested microbes.https://www.ijnc.ir/article_709127_4453dc0e086135fc4afdb5126e3d9fba.pdfIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-723712420250301Synthesis, Characterization, and Antibacterial Studies of Metal Complexes with Tyrosine Ligand67268070478910.22034/ijnc.2023.1999307.1331ENMabrouk MohamedSalamaDepartment of chemistry, faculty of science, university of Benghazi, Libya0000-0003-1616-9516Hamad M.HasanDepartment of chemistry, faculty of science, university of Omer al Mukhtar, LibyaSana F.Moussadepartment of chemistry, faculty of science, university of Tobruk, LibyaJournal Article20230401In this study, Zinc(II) , Mn(II), Hg(II), and Tin(II) complexes of were synthesized and characterized via Infrared spectroscopy (IR), thermal analysis (TGA), measurement of melting point and molar conductivity. The results provide evidence of coordination of the metal ions to Tyrosine ligands through NH2, and COOH a groups with proposed octahedral geometry, low spin, paramagnetic. The TGA curves were gave one of the main decomposition of complexes, and stable at M- oxides. The molar ratio which carried out by U.V calculations gave the ratio of 1:1 (Metal : Ligand) linkage.<br /><br />Their antibacterial activities were investigated using ultraviolet light for molar ratios calculations with items by using the different series of concentrations and Ligand. Study of the effect of complexes prepared on some bacteria ( Escherichia coli and Bacillus Subtitles) has enriched the two types of bacteria with the complexes prepared on each species of microbial laboratory. The prepared complexes gave anti-bacterial activities on the species of bacteria which used in this study.https://www.ijnc.ir/article_704789_1b95b25a2406c2902f41ddeba0c2d448.pdfIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-723712420250301Investigation of Sulfur Problems in Hydrocarbon Sections68170071913010.22034/ijnc.2022.552167.1269ENOmidMarviDepartment of Chemistry,Faculty of Sciences,Payam Noor University (PNU) , PO Box 19395_3697,Tehran,IranMarzieHaghgouDepartment of Chemistry,Faculty of Sciences,Payam Noor University (PNU) , PO Box 19395_3697,Tehran,IranNaserHaghgoDepartment of Medical Education, Medical Education Research Centre, Guilan University of Medical Sciences (GUMS), Rasht, IranJournal Article20220417Elimination of sulfur compounds in hydrocarbon fuels is environmentally important, because in the process of combustion of fuels in engines, sulfur compounds in the fuel are converted to sulfur oxides (soX), which can lead to acid rain. In addition, (soX) resulting from the combustion of sulfur-containing fuels in internal combustion engines, while causing corrosion in the internal parts of the engine, poisoning the catalytic converters installed in the car exhaust and ultimately causing the deactivation of these catalytic converters over time It is shortened. An important plan of these catalytic converters is to reduce the release of nitrogen oxides into the environment. Sulfur oxides also lead to the rapid deactivation of exhaust filters to prevent particulate matter from escaping into the atmosphere. Therefore, the presence of sulfur compounds in hydrocarbon sections, in addition to creating problems related to the release of sulfur oxides into the atmosphere, leads to an exacerbation of the release of pollutants such as nitrogen oxides and particulate matter into the environment.https://www.ijnc.ir/article_719130_39247963d7ddbd39897e102330340f35.pdfIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-723712420250301An Update Comprehensive Review on the Antiviral Activities of Chalcone Analogs70172571538210.22034/ijnc.2024.715382ENRozinMoghimiDepartment of Medicinal Chemistry, Faculty of Pharmacy, Tehran Medical Sciences, Islamic Azad University, Tehran, IranHomayonJafari MoghadamDepartment of Medicinal Chemistry, Faculty of Pharmacy, Tehran Medical Sciences, Islamic Azad University, Tehran, IranFereshtehTalebiStudent Research Committee, Hormozgan University of Medical Science, Bandar Abbas, IranSepidehAbrishamiDepartment of Pharmaceutical Chemistry, Faculty of Pharmacy, Shahid Beheshti University of Medical Sciences, Tehran, IranMohammadMahboubi-RabbaniDepartment of Medicinal Chemistry, Faculty of Pharmacy, Tehran Medical Sciences, Islamic Azad University, Tehran, IranJournal Article20240828Since ancient times, the world has experienced several viral epidemics, the most recent one was the COVID-19 pandemic. The emergence of new viral infections has led to a need for newer therapeutic approaches that can overcome the limitations of conventional antiviral drugs. Natural open-chain flavonoids called chalcones can be synthesized in laboratories and are present in a variety of plants. Numerous investigations have demonstrated the pharmacological actions of these tiny chemical compounds, which include antiviral, anti-inflammatory, antibacterial, and anticancer properties. This article provides an overview of the antiviral characteristics of chalcones and their derivatives against several human viral infections, with potential use in the COVID-19 pandemic. This article reviews chalcones' work on human viruses such as Hepatitis B and C, Rift Valley fever, Human Immunodeficiency, Influenza, Human Rhinovirus, Herpes Simplex, Dengue, Human CMV, and Venezuelan Equine Encephalitis. This review could lead to the development of chalcone-based antiviral medicines that are both efficacious and versatile.https://www.ijnc.ir/article_715382_aac3f09705756f3f780eac44b30ef3d2.pdfIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-723712420250301Advances in Green Chemistry: Sustainable Approaches in Organic Synthesis72673771917410.22034/ijnc.2025.719174ENMohammadKohansal* Department of Chemistry, Yadegar-e-Imam Khomeini (RAH) Shahre-rey Branch, Islamic Azad University, Tehran, Iran.Journal Article20241222<span style="font-size: 11.0pt; line-height: 150%; font-weight: normal;">Green chemistry has emerged as a transformative approach to addressing the pressing environmental challenges posed by traditional chemical processes. This review paper, titled "Advances in Green Chemistry: Sustainable Approaches in Organic Synthesis," explores the latest innovations and methodologies that align with the principles of sustainability and environmental stewardship. The field of organic synthesis, a cornerstone of chemical science, has historically relied on resource-intensive and hazardous processes. However, recent advancements have introduced eco-friendly alternatives that minimize waste, reduce energy consumption, and eliminate the use of toxic reagents. This paper highlights key developments such as catalysis-driven transformations, the use of renewable feedstocks, solvent-free and aqueous-phase reactions, and the integration of green technologies like flow chemistry and biocatalysis. Additionally, it examines the role of computational tools and machine learning in optimizing reaction conditions to enhance efficiency and sustainability. By providing a comprehensive overview of these advancements, this review underscores the critical importance of green chemistry in fostering a more sustainable future for organic synthesis while addressing global environmental and economic concerns. The paper also identifies current challenges and potential avenues for future research, emphasizing the need for interdisciplinary collaboration to further revolutionize the field.</span>https://www.ijnc.ir/article_719174_7e6d704eae55f560a85046d7e0724c66.pdfIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-723712420250301Interaction of Amantadine with Doped Boron Nitride Conical Nanostructures: Impact of Doping on Adsorption Properties and Sensing Potential73875371963410.22034/ijnc.2025.719634ENOzraGholipourDepartment of applied Chemistry, Chemistry faculty, Urmia university, Urmia, Iran.AliHassanzadehDepartment of chemistry, Tabriz branch, Islamic Azad university, Tabriz, Iran.ShimaMohammad-AlizadehDepartment of analytical chemistry, chemistry faculty, Urmia university, Urmia, Iran.Mohammad HosseinRazeghiDepartment of Chemistry, Azarbaijan Shahid Madani University, Tabriz, Iran.Journal Article20250105This comprehensive study investigates the interaction between amantadine and boron nitride (BN) conical nanostructures using Density Functional Theory (DFT) at the B3LYP/6-31G(d) level. Both pure and doped BN cones, incorporating elements such as Al, Si, P, Ga, and N, were studied to assess their adsorption energy and electronic structure. The results reveal that doping significantly influences the adsorption energies and energy gaps of BN cones. Silicon- and aluminum-doped BN cones exhibit the highest adsorption energies and the most favorable electronic properties for amantadine detection. These findings suggest that doped BN cones are promising candidates for the development of advanced sensors for pharmaceutical compounds like amantadine.https://www.ijnc.ir/article_719634_c34baad18b8be9270ce2e9a26ff96a90.pdfIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-723712420250301Green nano bio-synthesis of ZnO/ styrene-butadiene rubber / natural rubber (SBR/ NR) nanocomposite and their assessment by use of curing time and mechanical properties75477372013410.22034/ijnc.2025.720134ENMonirehAlvand GhiasvandDepartment of Chemistry, Yadegar-e-Imam Khomeini (RAH) Shahre-Rey Branch, Islamic Azad University, Tehran, Iran.SajjadSedaghatDepartment of Chemistry, College of Science, Shahr-e-Qods Branch, Islamic Azad University, Tehran, IranMohammad RezaAllah Gholi GhasriDepartment of Chemistry, Yadegar-e-Imam Khomeini (RAH) Shahre-Rey Branch, Islamic Azad University, Tehran, Iran.FereshtehMotieiDepartment of Chemistry, College of Basic Science, Tehran North Branch, Islamic Azad University, Tehran, IranFarrokh RoyaNikmaramDepartment of Chemistry, Yadegar-e-Imam Khomeini (RAH) Shahre-Rey Branch, Islamic Azad University, Tehran, Iran.Journal Article20250124<span style="font-size: 11.5pt; line-height: 115%; font-weight: normal;">Zinc oxide nanoparticles (ZnO NPs) were synthesized using <em>Aloysia Citrodora</em> leaf water extract as a reducing and capping agent in an alkaline medium. UV-visible (UV-Vis) spectroscopy, Fourier transforms infrared (FTIR) spectroscopy, Brunauer– Emmett–Teller (BET), and X-ray diffraction (XRD) were used for the evaluation of the synthesized ZnO NPs, scanning electron microscope (SEM) was further used for analyzing the morphology, size, and thermal stability of the particles. The curing time and mechanical features of styrene-butadiene rubber<strong><span style="font-weight: normal;">/</span></strong>natural rubber (SBR/NR) regularities, including ZnO NPs, were studied and matched with SBR/NR by using micro-sized (standard) ZnO. The SBR/NR vulcanizate with 0.5 phr (parts per hundred rubber) ZnO NPs showed enhanced curing and mechanical characteristics related to the SBR/NR vulcanizate with 5 phr standard ZnO. FESEM images showed the uniform distribution and good dispersion of ZnO NPs in the nanocomposite. As a result, the mechanical features of the build-up ZnO NPs packed SBR/NR were enhanced. Therefore, ZnO NPs functioned as a curing activator to increase the resulting characteristics of the SBR/NR vulcanizates. The noteworthy point is that the amount of ZnO NPs consumed has a significant decrease compared to the amount of commercial zinc oxide, which is one of the environmental concerns.</span>https://www.ijnc.ir/article_720134_baf38e787b62d6d357e9e912aef829d2.pdfIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-723712420250301Nanotechnology in Environmental Remediation: Opportunities and Risks77479172122110.22034/ijnc.2025.721221ENHalimehRajabzadehDepartment of Chemistry, Dezful Branch, Islamic Azad University, Dezful, IranJournal Article20250217<span style="font-size: 11.0pt; line-height: 150%; font-weight: normal;">Nanotechnology has emerged as a transformative tool in environmental remediation, offering innovative solutions to address pollution and restore ecosystems. This review explores the opportunities presented by nanomaterials, including their enhanced reactivity, selectivity, and efficiency in applications such as water purification, soil decontamination, and air pollution control. Key advancements in nanotechnology-driven approaches, such as the use of nanoparticles, nanocomposites, and nanostructured membranes, are highlighted for their potential to revolutionize traditional remediation techniques. However, the rapid development and deployment of nanotechnologies also raise significant concerns regarding their environmental and human health risks. Issues such as nanoparticle toxicity, bioaccumulation, and long-term ecological impacts remain critical challenges that demand thorough investigation and regulation. By examining both the benefits and risks, this paper aims to provide a balanced perspective on the role of nanotechnology in environmental remediation, emphasizing the need for sustainable practices and responsible innovation to maximize its potential while minimizing unintended consequences.</span>https://www.ijnc.ir/article_721221_7d8ceceb58809b96fe25ccacebfb95b8.pdfIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-723712420250301Experimental Investigation and Modelling of Cold Plasma Effect on Microbial Load Reduction of Sumac (Rhus coriaria L) by Artificial Neural Network with Levenberg–Marquardt Algorithm79282472143410.22034/ijnc.2025.721434ENSomayehSepahvandDepartment of Food Science and Technology, Islamic Azad University, Yasouj Branch, Yasouj, IranSamanehTayebi-MoghaddamDepartment of Food Science and Technology, Islamic Azad University, Science and Research Branch, Tehran, Iran.NastaranKhalaj ZeighamiDepartment of Food Science and Technology, Islamic Azad University, Science and Research Branch, Tehran, Iran.Journal Article20250223In this study, the application of dielectric barrier discharge (DBD) cold plasma with gases (air and nitrogen) for a duration of 15 minutes on the surface of sumac samples was investigated experimentally to reduce the microbial load.<strong> </strong>The sumac samples were subjected to two treatments: plasma treatment for 15 minutes and exposure to different gases (Nitrogen and Oxygen) at two levels. Immediately after the treatments, their microbial load was measured. Furthermore, the experimental results will be modeled using artificial neural networks. The results of the microbial tests showed that the antimicrobial effect of nitrogen plasma was lower compared to air plasma, and the duration of plasma irradiation had a significant effect on microbial load reduction. With an increase in the duration of plasma irradiation, the inactivation of microorganisms increased, and the maximum reduction in microbial load was observed at 15 minutes of exposure to air plasma.https://www.ijnc.ir/article_721434_52a157f1308008558c7be0a6cb6754eb.pdfIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-723712420250301Neurotransmitters and Mental Health: Understanding the Chemical Underpinnings of Psychological Disorders82584172146610.22034/ijnc.2025.721466ENHayatSamaripourDepartment of Clinical Psychology, Islamic Azad University, Science and Research Branch, Tehran, Iran.Journal Article20250225<span style="font-size: 11.0pt; line-height: 150%; font-weight: normal;">Neurotransmitters play a pivotal role in regulating brain function and are fundamental to understanding the biochemical basis of mental health. This review explores the intricate relationship between neurotransmitter systems and psychological disorders, shedding light on how imbalances in these chemical messengers contribute to conditions such as depression, anxiety, schizophrenia, bipolar disorder, and others. By examining key neurotransmitters, including serotonin, dopamine, norepinephrine, gamma-aminobutyric acid (GABA), and glutamate, this paper highlights their roles in mood regulation, cognition, and behavior. Furthermore, it discusses the latest advancements in research linking neurotransmitter dysregulation to genetic, environmental, and epigenetic factors. The review also evaluates current therapeutic approaches targeting neurotransmitter systems, such as pharmacological interventions and emerging treatments like neuromodulation. By synthesizing existing knowledge and identifying gaps in the literature, this paper aims to enhance our understanding of the chemical underpinnings of psychological disorders and inform future directions for research and clinical practice.</span>https://www.ijnc.ir/article_721466_eb9c7c6046220950d07087dec47cfd7b.pdfIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-723712420250301Environment in Islamic Resources in the Conservation of Water Resources and its Application in Iran84285572173610.22034/ijnc.2025.721736ENAliasgharSalehimofradPh.D Student, Department of environmental management, Science and Research Branch, Islamic Azad University, Tehran, Iran.AliFaghih HabibiProfessor of Department of Law, South Tehran Branch, Islamic Azad University, Tehran, Iran.Seyed AbbasPoor HashemiScientific Member and President of the Canadian Institute for International Law Expertise (CIFILE), Toronto, Ontario, Canada.ShirinShirazianAsistant Professor, Department of Environmental Management, Science and Research Branch, Islamic Azad University, Tehran, Iran.Journal Article20250304<span style="font-size: 11.0pt; line-height: 150%; font-weight: normal;">Environmental issues have become a critical concern in the modern world, with water resources being one of the most vital elements for sustaining life and ecosystems. Water's indispensable role in supporting human life, nurturing plants, and fostering the growth of all living beings has long been recognized by scientists and emphasized in various cultural and religious contexts. In Islam, water holds significant importance, as highlighted in the Holy Quran, where it is described as the source of life for all creatures. This underscores the necessity of protecting and managing water resources responsibly. The article titled "Environment in Islamic Sources in the Protection of Water Resources and Its Application in Iran" adopts a descriptive-analytical approach to explore the integration of environmental rights within Islamic teachings, specifically concerning water conservation. It also examines Iran's stance on this issue, reflecting on its alignment with Islamic principles. Furthermore, the article proposes practical solutions to enhance water resource management, emphasizing the importance of combining religious guidance with modern environmental strategies to address contemporary challenges effectively.</span>https://www.ijnc.ir/article_721736_9963f7d181dcaf16513731c26c2d88d1.pdfIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-723712420250301Innovative Drug Delivery Systems: Nanotechnology in Medicine85687372181110.22034/ijnc.2025.721811ENMitraAkbariEye Research Center, Department of Eye, Amiralmomenin Hospital, School of Medicine, Guilan University of Medical Science, Rasht, IranJournal Article20250307<span style="font-size: 11.0pt; line-height: 150%; color: black;">Nanotechnology has emerged as a transformative force in modern medicine, offering innovative solutions to longstanding challenges in drug delivery. This review explores the advancements and applications of nanotechnology-based drug delivery systems, emphasizing their potential to enhance therapeutic efficacy, minimize side effects, and improve patient outcomes. Key topics include the design and engineering of nanoparticles, liposomes, dendrimers, and polymeric systems that facilitate targeted delivery, controlled release, and increased bioavailability of drugs. The paper also examines the role of nanocarriers in addressing complex medical conditions such as cancer, neurodegenerative diseases, and infectious disorders. Furthermore, it highlights the challenges associated with clinical translation, including biocompatibility, scalability, and regulatory considerations. By synthesizing recent developments and identifying future directions, this review underscores the pivotal role of nanotechnology in revolutionizing drug delivery systems and advancing precision medicine.</span>https://www.ijnc.ir/article_721811_f53f9ba37b59ce9c9f3b7dc8803e2a74.pdfIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-723712420250301Machine Learning Approaches in Predicting Chemical Reactions: A Comprehensive Review87488972197910.22034/ijnc.2025.721979ENHosseinTarahomi ArdakaniDepartment of Computer Science, Payame Noor University (PNU), Tehran, Iran.Hamid RezaHanifDepartment of Mathematics and Computer Science, Iran University of Science and TechnologyMohsenKatebi JahromiDepartment of Electrical Engineering, Safashahr Branch, Islamic Azad University, Safashahr, Iran.Journal Article20250311<span style="font-size: 11.0pt; line-height: 150%; font-weight: normal;">The rapid advancement of machine learning (ML) techniques has significantly transformed the landscape of chemical research, particularly in predicting chemical reactions. This review provides a comprehensive overview of the various machine learning approaches utilized in the prediction of reaction outcomes, mechanisms, and kinetics. We begin by discussing the foundational concepts of machine learning and its relevance to chemistry, highlighting key algorithms such as neural networks, support vector machines, and decision trees. The paper systematically categorizes existing methodologies based on their application: reaction outcome prediction, reaction mechanism elucidation, and kinetic modeling. We delve into the datasets commonly employed for training ML models, emphasizing the importance of high-quality, curated chemical data. Furthermore, we explore the integration of quantum chemical calculations with machine learning to enhance predictive accuracy. Challenges such as data sparsity, model interpretability, and the need for generalizability across diverse chemical spaces are critically examined. Finally, we discuss future directions for research, including the incorporation of transfer learning, active learning, and the development of user-friendly software tools to democratize access to these powerful predictive techniques. This review aims to provide a valuable resource for chemists and data scientists alike, fostering collaboration and innovation at the intersection of chemistry and artificial intelligence. </span>https://www.ijnc.ir/article_721979_69b92ff2b7f817e5272d3312326eb8b9.pdfIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-723712420250301Development of MIL-101(Fe)/Silica Aerogel Nanohybrid for Chlorpyrifos Extraction in Soil Using Magnetic Fiber Headspace Solid-Phase Microextraction Combined with Gas Chromatography-Mass Spectrometry89090272237110.22034/ijnc.2025.2056824.1448ENMansoureh -MalekiDepartment of chemistry, Payame Noor university, Tehran, Iran0000-0001-7355-1960Journal Article20250330A hybrid material combining silica aerogel with MIL-101(Fe) was synthesized and effectively utilized as a fiber coating for the headspace solid-phase microextraction of Chlorpyrifos. The nanohybrid was characterized using a range of analytical techniques. Employing a magnetic field, generated with a pair of permanent disc magnets, on the coated steel fiber significantly enhanced the extraction efficiency for the majority of the target components. Optimization of key parameters influencing the extraction performance was conducted using a one-variable-at-a-time approach. The optimized conditions included a temperature of 120 °C, water addition of 10 µL, and an extraction time of 10 minutes. The prepared fiber demonstrated stability and could be reused multiple times without noticeable deterioration in efficiency. For precision assessment, five repeat analyses were carried out, yielding a relative standard deviation (RSD) of 5.1% for peak areas associated with the target compound. Furthermore, the method proved highly reliable and effective when applied to real-world scenarios, successfully extracting and identifying Chlorpyrifos from soil samples. The results highlight the robustness, reproducibility, and practical utility of this innovative approach in analytical applications.https://www.ijnc.ir/article_722371_4d9457f4833cb01e7d5d52155bd3e29c.pdfIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-723712420250301A DFT Outlook on Bupropion Adsorption on the Surface of C8B6N6 Nanocluster90392172255410.22034/ijnc.2025.722554ENMohammad HosseinRazeghiDepartment of Chemistry, Azarbaijan Shahid Madani University, Tabriz, Iran.OzraGholipourDepartment of applied Chemistry, Chemistry faculty, Urmia university, Urmia, Iran.SiminArabiDepartment of Chemistry, Shahr-e-Qods Branch, Islamic Azad University, Tehran, Iran0000-0003-1951-6288EbrahimNemati-KandeDepartment of Physical Chemistry, Chemistry faculty, Urmia University, Urmia, Iran.JaberJahanbin SardroodiDepartment of Chemistry, Azarbaijan Shahid Madani University, Tabriz, Iran.Journal Article20250407<span style="font-size: 11.0pt; line-height: 150%; color: black;">This study investigated the effectiveness of the C<sub>8</sub>B<sub>6</sub>N<sub>6 </sub>nanocluster as an adsorbent and sensor for the removal and detection of bupropion (BP) using density functional theory (DFT) methods. The results indicated that while BP interaction with C<sub>8</sub>B<sub>6</sub>N<sub>6</sub> nanocage is experimentally feasible, the interactions have a reversible semi-chemisorption nature. The thermodynamic analysis revealed that the adsorption process is exothermic and spontaneous, as evidenced by the negative values of ∆H<sub>ad</sub> and ∆G<sub>ad</sub>. Temperature and solvent effects were also assessed, showing that adsorption is more effective at lower temperatures and in the absence of water, i.e., in the gas phase. In terms of electronic properties, the C<sub>8</sub>B<sub>6</sub>N<sub>6 </sub>nanocage exhibited a 52% reduction in its bandgap, decreasing from 2.380 eV to 1.144 eV upon interaction with BP. These findings suggest that the C<sub>8</sub>B<sub>6</sub>N<sub>6 </sub>nanocluster not only exhibits superior adsorption efficiency for BP removal but also demonstrates enhanced suitability as a sensing material for the electrochemical detection of BP.</span>https://www.ijnc.ir/article_722554_d70273f2bb6083ea35c0858591c9c9af.pdf