Enhanced Chemical Insights into Fullerene Structures via Modified Polynomials by Ali N. A. Koam, Ali Ahmad, Raed Qahiti, Muhammad Azeem, Waleed Hamali

“…This work explores the complicated realm of fullerene structures by utilizing an innovative algebraic lens to unravel their chemical intricacies. …”
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Chemical signals and social structures strengthen sexual isolation in Drosophila pseudoobscura by Jacob A. Jezovit, Joel D. Levine

“…Our results suggest that chemical signals, together with social structures, increase the sexual isolation between species in hybrid zones.…”
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Variability of the chemical composition of the wood and bark of two tropical hardwoods from Ghana by Kwaku Antwi, Francis Kofi Bih, Sylvia Adu, Joseph Appiah Yeboah

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Dataset on fuel properties and volatile organic compounds from chemically synthesized biomass components for modeling and predicting biomass properties in pyrolysis processesDeposi... by Ewa Syguła, Jacek Łyczko, Andrzej Białowiec

“…This data set provides a controlled and precise analysis of chemically synthesized biomass mixtures, focusing on the key structural components - lignin, cellulose, and hemicellulose - in specific ratios. …”
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Assessing chemical exposure risk in breastfeeding infants: An explainable machine learning model for human milk transfer prediction by Xiaojie Huang, Jiajia Chen, Peineng Liu

“…Structural alert analysis further identified molecular fragments linked to high-risk chemicals, enabling targeted risk assessments. …”
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Assessment of Bacterial Community Structure, Associated Functional Role, and Water Health in Full-Scale Municipal Wastewater Treatment Plants by Inderjeet Tyagi, Kaomud Tyagi, Faheem Ahamad, Rakesh Bhutiani, Vikas Kumar

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1H NMR Chemical Shifts of Adsorbed Molecules on the Carbon Surface by V.V. Turov, R. Leboda

“…Values of the chemical shift were found to differ in accordance with the structure of the active sites. …”
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Chemical Application of Topological Indices in Infertility Treatment Drugs and QSPR Analysis by Sobia Sultana

“…The main challenges faced by medical researchers while producing novel drugs are time commitment, amplified costs, creating a safety profile for the medications, reduced solubility, and a lack of experimental data. Chemical graph theory makes an important theoretical contribution to drug development and design by investigating the structural properties of molecules. …”
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Perovskite Solar Cell: Chemical Composition and Bandgap Energy via Machine Learning by Filipi França dos Santos, Kelly Cristine Da Silveira, Gesiane Mendonça Ferreira, Daniella Herdi Cariello, Mônica Calixto de Andrade

“…Such a strategy not only accelerates research progress but also serves to curtail costs associated with the synthesis of perovskite materials. …”
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Risk characterisation of chemicals of emerging concern in real-life water reuse applications by Jan C. Specker, Antonia Praetorius, Milo L. de Baat, Nora B. Sutton, Annemarie P. van Wezel

“…Water reuse is a viable option to address temporal or structural water shortages. However, the ubiquitous presence of chemicals of emerging concern (CECs) in natural systems, especially the aquatic environment, represents a significant obstacle to water reuse and the receiving environment. …”
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The Chemical States of Color-Induced Cations in Tourmaline Characterized by X-Ray Photoelectron Spectroscopy by Ming Li, Hanlie Hong, Ke Yin, Chaowen Wang, Feng Cheng, Qian Fang

“…Our results showed that the colorful tourmalines usually contained a small amount of transition metal elements, and a colorful tourmaline sample had several transition metal cations; however, the color of tourmaline resulted from the transition metal cations in the Y site of the crystal structure. The pink color of tourmaline was associated with Mn2+ in the Y site coordinating with F; the yellow color was derived from Ni2+ in the Y site binding to O; the green color was associated with Fe3+ in the Y site coordinating with O, OH, and F; the rose red color originated from Mn2+ and Ni2+ in the Y site in which Mn2+ coordinated with O and F, and Ni2+ coordinated with O; and the blue color was derived from Fe3+ and Mn2+ in the Y site in which Fe3+ binded to O, OH, and F and Mn2+ binded to F. …”
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Characterizations of Physico-chemical properties for non-kekulean benzenoid hydrocarbon using m-polynomial by Muhammad Kamran, Aamir Khan, Zeeshan Anwar, Aiman Ishtiaq, Anns Uzair, Shanzay Khan, Sawaira Saeed, Sajid Ali, Saara Fatima, Ajwa Faisal, Baqir Hussain, Misbah Rasheed, Saba Mehmood

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Recent research on chemically modifying the surface of zero-valent iron: A mini review by Zhendong Li, Wei Ye, Huiting Li, Jianzhe Qiao, Yunyi Du, Zhujun Dong, Lichun Fu, Yuwei Pan

“…The enhancement of its reactivity and applicability can be achieved through chemical surface modification. Chemical surface modification involves introducing specific chemical functional groups onto the surface of ZVI, altering its surface chemical properties and structural morphology. …”
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Quantum chemical study of molecular properties of small branched-chain amino acids in water by Roman Boča, Žofia Rádiková, Juraj Štofko, Beata Vranovičová, Cyril Rajnák

“…In addition, a set of collective electronic and thermodynamic properties associated with redox process were evaluated: ionization energy, electron affinity, chemical hardness, molecular electronegativity, electrophilicity index, absolute oxidation and reduction potentials. …”
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Structural Predictive Model of Presenilin-2 Protein and Analysis of Structural Effects of Familial Alzheimer’s Disease Mutations by Alejandro Soto-Ospina, Pedronel Araque Marín, Gabriel de Jesús Bedoya, Andrés Villegas Lanau

“…For the simulation, four reported mutations are chosen, which are Met239Ile, Met239Val, Ser130Leu, and Thr122Arg, all associated with various functional responses. From a theoretical analysis, a preliminary bioinformatic study is made to find the phosphorylation patterns in the protein and the hydropathic index according to the polarity and chemical environment. …”
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Microstructure and magnetism of austenitic steels in relation to chemical composition, severe plastic deformation, and solution annealing by Kamila Hrabovská, Ondřej Životský, Petra Váňová, Yvonna Jirásková, Lucie Gembalová, Ondřej Hilšer

“…The results show the importance of the steel’s chemical composition and microstructure, mainly grain size, on the stability of the austenitic structure closely associated with the paramagnetic behaviour.…”
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A Wideband Chemical Survey of Massive Star-forming Regions at Subarcsecond Resolution with the Submillimeter Array by Charles J. Law, Qizhou Zhang, Arielle C. Frommer, Karin I. Öberg, Roberto Galván-Madrid, Eric Keto, Hauyu Baobab Liu, Paul T. P. Ho, Andrés F. Izquierdo, L. Ilsedore Cleeves

“…Overall, these results demonstrate that the SMA's wide bandwidth is a powerful tool to untangle the complex molecular gas structures associated with massive star formation.…”
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Fabrication and Photovoltaic Characteristics of Coaxial Silicon Nanowire Solar Cells Prepared by Wet Chemical Etching by Chien-Wei Liu, Chin-Lung Cheng, Bau-Tong Dai, Chi-Han Yang, Jun-Yuan Wang

“…Nanostructured solar cells with coaxial p-n junction structures have strong potential to enhance the performances of the silicon-based solar cells. …”
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Chemical, Spectral, Biological, and Toxicological Studies of Some Benzene Derivatives Used in Pharmaceuticals: In Silico Approach by Emranul Kabir, M R O Khan Noyon, Md Rabiul Alam, Mr. Nasiruddin, Sajia Islam, Mahima Akter, Monir Uzzaman

“…Due to the use of benzene in both industry and medicine, chemicals with benzene rings are among the most problematic. …”
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Structural tailoring of etoricoxib: A spectrochemical, medicinal and pharmacological study by Bakul Akter, Silvia Aishee, Abdullah Hridoy, Md. Mehedi Hasan Pulok, Mohammad Ariful Islam, Antu Biswas, Aurna Patwary, Majedul Hoque, MD. Sazidul Islam, Md. Nipatul Hasan Nirob, Faisal Islam Chowdhury, Monir Uzzaman

“…Quantum chemical calculations were performed to assess alterations in physicochemical properties, such as HOMO–LUMO energy gaps, electrostatic potential, enthalpy, and dipole moments. …”
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