University of TehranJournal of Sciences, Islamic Republic of Iran1016-110436220250401Determination of Ethanol in Alcoholic Beverages Using Conventional Method and Gas Chromatography-Mass Spectroscopy10511010740010.22059/jsciences.2026.397777.1007935ENMustofaAhdaFaculty of Pharmacy, Universitas Ahmad Dahlan, Yogyakarta, Indonesia0000-0002-2185-043XBudiSetiawanAhmad Dahlan Halal Center, Universitas Ahmad Dahlan, Yogyakarta, IndonesiaJournal Article20250629<span lang="id">The objective of this study was to develop a straightforward and rapid analytical procedure for ethanol quantification. Specifically, a GC-MS method was compared to a conventional approach for detecting ethanol levels in alcoholic beverages. In the GC-MS system, the oven temperature rate and the mobile phase total flow rate were set at 10 °C/min and 104 mL/min, respectively. This method successfully detected ethanol in less than 2 minutes, demonstrating a determination coefficient (R2) of 0.994 within a 0.1–5% standard calibration range. It exhibited high selectivity, accuracy (100.8%), and precision (RSD of 3.01–3.25%). In contrast, the conventional method required 24 hours of analysis time, with a narrow standard curve range of 0–0.05%. However, this investigation demonstrated that GC-MS is superior to the traditional technique, which was found to be time-consuming, non-specific, inaccurate, and imprecise. Therefore, GC-MS is highly recommended for confirmatory testing of ethanol in alcoholic beverages, whereas the conventional method should only be utilized for preliminary screening.</span>https://jsciences.ut.ac.ir/article_107400_c027eb5c471d4eda54cd43351ab05298.pdfUniversity of TehranJournal of Sciences, Islamic Republic of Iran1016-110436220250401Replacement Hydrogen with Deuterium element that a new synthesis of serial drugs11112610795610.22059/jsciences.2026.398432.1007941ENSura Q.Al-kinanyDepartment of Chemistry, College of Science, Mustansiriyah University, Baghdad, Iraq0009-0005-5773-5627Hussain InayahSharhanDepartment of Chemistry, College of Science, Mustansiriyah University, Baghdad, Iraq.0000-0002-7045-656XFatin FadhelMohammed Al-KazazzDepartment of Chemistry, College of Science, Mustansiriyah University, Baghdad, Iraq.0000-0002-1286-2797Journal Article20250712<span lang="EN">The electrolysis of heavy water may produce deuterium (D), the naturally occurring isotope of hydrogen. Nature is rich in deuterium; the typical human body has more than 1 gram of this element. Human clinical trials examining pharmacokinetics and metabolism have extensively utilized deuterium, a stable and non-radioactive form of hydrogen. Within a pharmacological molecule, deuterium takes on the same size and shape as hydrogen, which is a crucial characteristic. Hence, chemical compounds that exhibit isotopic, structural, and kinetic consequences are the outcome of deuterium’s selective replacement of hydrogen. In turn, these activities provide deuterated molecules with unique medicinal characteristics. The potential for improved medication effectiveness, safety, and tolerability may be realized by enhancing the bond strength in particular modified molecules. This, in turn, can have a favorable effect on the ADME aspects of some pharmaceuticals. From a drug-development standpoint, this is one of deuterium’s most compelling properties. The structural change known as H/D exchange may improve the pharmacokinetic and/or toxicological properties of medications, making them more effective and safer than their non-deuterated counterparts.</span>https://jsciences.ut.ac.ir/article_107956_017ddc7873b184db49337b2472cdc83f.pdfUniversity of TehranJournal of Sciences, Islamic Republic of Iran1016-110436220250401Theoretical Study of the Encapsulation of the Anticancer Drug of Letrozole: DFT/TD-DFT and Spectroscopic Studies12714210739910.22059/jsciences.2026.401653.1007951ENNasrinMasnabadi1 Department of Chemistry, Ro. C., Islamic Azad University, Roudehen, Islamic Republic of Iran0000-0002-3028-7140ShivaMasoudi2 Department of Chemistry, CT. C., Islamic Azad University, Tehran, Islamic Republic of IranSjadRahbari2 Department of Chemistry, CT. C., Islamic Azad University, Tehran, Islamic Republic of IranJournal Article20250901<span lang="EN">The DFT description and comparison of the loading of Letrozole (LTZ) on boron nitride (AlNNT) and aluminum nitride (BNNT) nanotubes were studied herein. The results of the thermochemical parameters indicate that LTZ with AlNNT nanotube would be a more spontaneous and exothermic process in comparison with that of BNNT. The study included electron delocalization effects, stereoelectronic interaction, steric repulsion effects, electronic properties, and reactivity of LTZ on the AlNNT nanotube using DFT B3LYP/6-31G* level of theory. The UV-Vis absorption analysis and the IR spectrum were used to ascertain the changes that take place on adsorption of LTZ onto AlNNT. The molecular orbital distribution was further assessed to monitor electronic structure changes, adsorption energies (E<sub>ad</sub>), and electrical conductivity during the adsorption process on both substrates. The NBO analysis of the LTZ-AlNNT complex shows that the highest resonance energy is provided due to the instability of electrons of LP (1)N73→ BD*(2)N75-C85 (51.96 kcal.mol-1), which in turn signifies that there is electron transfer from the LTZ drug in the LTZ-AlNNT complex. This in the UV-Vis spectrum corroborated by the drug adsorption-related wavelength change from 226.7 nm to 254.3 nm on the AlNNT demonstrates bathochromic shift.We hope that this study can aid in modeling and designing a suitable adsorbent for drug delivery based on its findings. Thus, electronic, thermochemical, and structural properties of LTZ drug complexes with the nanotubes AlNNT and BNNT were elucidated with a combination of DFT calculations and graphical analysis of the non-covalent interactions index (NCI) analysis.</span>https://jsciences.ut.ac.ir/article_107399_358315ae69f3dc1cffa3b28f2330c345.pdfUniversity of TehranJournal of Sciences, Islamic Republic of Iran1016-110436220250401NH4I-Catalyzed Selective Synthesis of 2-Substituted Benzimidazoles14314910791110.22059/jsciences.2026.408328.1007980ENUshaRaniDepartment of Basic Science and Humanities, Vignan’s Lara Institute of Technology and Science, Vadlamudi, Guntur-522213, Andhra Pradesh, India0000-0001-5312-2704P. Rama KrishnaVeniDepartment of Applied Sciences & Humanities, Sasi Institute of Technology & Engineering, Tadepalligudem, West Godavari-534101, Andhra Pradesh, India0000-0002-6924-1254VijayaSaradhiDepartment of Science and Humanities, KITS Akshar Institute of Technology, Yanamadala, Prathipadu (M), Guntur-522019, Andhra Pradesh, India0009-0000-2137-6910D. ChandraSekharDepartment of Engineering Chemistry, SRKR Engineering College, Bhimavaram-534204, Andhra Pradesh, IndiaJournal Article20251217<span lang="EN">By reacting 1,2-diamines with aromatic, aliphatic, and heteroaromatic nitroalkenes while using ammonium iodide (NH<sub>4</sub>I) as a green catalyst, a simple and effective synthetic pathway was created. This method is environmentally friendly and allows for the highly regioselective synthesis of 2-substituted benzimidazole derivatives in good to excellent isolated yields (78-94%). A plausible reaction mechanism was proposed. The scope and limitations were further examined.</span>https://jsciences.ut.ac.ir/article_107911_d9f6e53b8551bf856b8407c02318318c.pdfUniversity of TehranJournal of Sciences, Islamic Republic of Iran1016-110436220250401Assessment of Mining Lease Adequacy and Land Use Dynamics in Manganese Deposits of Vizianagaram District, South India15116210791310.22059/jsciences.2026.408967.1007984ENAhmed Koko SuleimanDalbon1 Department of Geology, College of Science and Technology, Andhra University, Visakhapatnam 530003, AP, India.
2 Department of Geology, Sudan University of Science and Technology, Al-Mogran, Khartoum, Sudan.0009-0009-2290-3925E N DhanamjayeRao1 Department of Geology, College of Science and Technology, Andhra University, Visakhapatnam 530003, AP, India.AdibhatlaSantha Ram1 Department of Geology, College of Science and Technology, Andhra University, Visakhapatnam 530003, AP, India.Journal Article20251228<span lang="EN-GB">The study investigates the relationships among orebody geometry, stripping intensity, and adequate areal leasing in three open-cast manganese mines (A, B, and C) in the Eastern Ghats Mobile Belt of India. The deposits are hosted in high-grade metamorphic Khondalite–Charnockite assemblages and exhibit variable structural continuity, dip, and lens-shaped formation. An integrated geological–spatial assessment framework is applied, combining orebody characterization from approved mining plans with GIS-based land-use analysis and normalized efficiency metrics (stripping ratio, waste area per unit of extractable ore, ratio of undisturbed/inactive land). The results reveal that stripping intensity and surface occupation are notably near the boundaries of structural complexity and orebody discontinuity. High stripping ratios and waste intensity in Mines A and B (which exhibit irregular, pinching–swelling geometries with increased dip angles) progressively saturate their lease areas. Mine B is a spatially constrained system in which high stripping burden intersects with limited lease extent. Conversely, Mine C shows relatively high geological continuity and large untouched territory, leading to lower stripping intensity and greater operational flexibility. Rather than relying solely on regulatory limits, this analysis shows that lease adequacy is a function of coupled orebody geometry and surface land availability. Normalized spatial efficiency metrics provide a functional foundation for assessing extractability risk in structurally complex manganese deposits. Land-use assessment to create continuity in the geological picture is a key part of lease planning. This facilitates long-term material recovery and minimizes the risk of premature sterilization, particularly in high-grade metamorphic terrains.</span>https://jsciences.ut.ac.ir/article_107913_9ff3fb64f91036f566086396c348b95e.pdfUniversity of TehranJournal of Sciences, Islamic Republic of Iran1016-110436220250401Air Pollution and Violent Crimes in Iran: A Statistical Analysis of the Relationship Between Atmospheric Pollutants and Crime Rates in Metropolitan Ar16318110791210.22059/jsciences.2026.402066.1007953ENRaziehSaberi1 Department of Criminal Law and Criminology, Faculty of Law and Political Science, Islamic Azad University, Tehran, Islamic Republic of Iran0000-0001-7564-7042Mohadeseh AlsadatFarzammehr2 Judiciary Research Institute, Tehran, Islamic Republic of Iran0000-0002-4927-7938ElhamTabrizi3 Department of Mathematics, Faculty of Mathematics and Computer Science, University of Kharazmi, Islamic Republic of IranJournal Article20250909<span lang="EN">While the associations between pollution, human health, and behavior have been widely studied, the relationship between air pollution and violent crime remains underexplored. Using an interdisciplinary approach within green criminology, this study examines the statistical associations between air pollution, mental health, and violent behavior in Iran, aiming to contribute to evidence-informed environmental security discussions. Time-series analysis, regression models, and panel data techniques were used to explore relationships between key pollutants (PM<sub>10</sub>, PM<sub>2.5</sub>, CO, NO₂, SO₂, and O₃) and violent crime rates in Tehran and the provinces of Mashhad, Isfahan, Fars, Alborz, and Rasht from 2016 to 2021. Given the observational nature of the data, all results represent correlations rather than causal effects. In Tehran, ozone (O₃) and nitrogen dioxide (NO₂) show statistically significant positive associations with violent crime rates, while carbon monoxide (CO) displays a weak negative association; by contrast, PM<sub>2.5 </sub>shows no statistically significant relationship with violent crime. Although province-level descriptive patterns appear heterogeneous, the overall correlation between PM<sub>2.5 </sub>and crime is trivially small (0.068), and the panel regression coefficient is statistically insignificant (</span> <span lang="EN">), indicating that PM<sub>2.5 </sub>is not a meaningful correlational predictor in this context. The study identifies pollutant–crime co-movements rather than causal effects, with only O₃ and NO₂ exhibiting consistent statistical associations with violent crime, and highlights the importance of considering environmental, economic, and social conditions when examining pollution–crime relationships, contributing to a more nuanced understanding of environmental correlates relevant to urban planning, environmental management, and public security in Asian metropolitan regions.</span>https://jsciences.ut.ac.ir/article_107912_3af6e8216779b7bcad5c7e22fbf6a828.pdf