Influence of Structural and Chemical Modification of Silica on its Surface Hydration by A.A. Turova, V.M. Gun'ko, V.V. Turov, P.P. Gorbik

“…It was shown that an unusual structural type of water, which is weakly associated and unfrozen up to 180 K and possessing a proton resonance chemical shift at 1.5 ppm, appears at the patch-wise hydrophilic/hydrophobic interfaces of adsorbents placed in non-polar or weak solvents. …”
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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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Antiparkinsonian activity of selective MAO-B inhibitors of different chemical structures by Vladimir N. Fedorov, Mikhail K. Korsakov, Anton A. Shetnev, Sergey S. Petukhov, Nikita N. Volkhin, Vladimir P. Vdovichenko, Anastasia A. Khokhlova, Salavat Sh. Suleymanov

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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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Img2Side: A Transfer Learning Based Model for Predicting Drug Side Effects Using 2D Chemical Structural Images by Muhammad Asad Arshed, Muhammad Ibrahim, Shahzad Mumtaz, Tenvir Ali, Gyu Sang Choi

“…Previously, proposed studies for the prediction/prevention of DSEs utilized the features of 1D drug chemical structures or Natural Language Processing (NLP). …”
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Food-derived bio-functional peptides for the management of hyperuricemia and associated mechanism by Yanxin Wang, Mingxia Ma, Yumeng Huang, Siqing Fan, Jie Peng, Shiming Li, Xiurong Su, Yanbo Wang, Chenyang Lu

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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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Invasive macroalgae shape chemical and microbial waterscapes on coral reefs by Chloé Pozas-Schacre, Hugo Bischoff, Delphine Raviglione, Slimane Chaib, Camille Clerissi, Isabelle Bonnard, M. Nugues Maggy

“…Chemical and microbial waterscapes were spatially structured, both horizontally and vertically, according to macroalgal dominance and boundary layers. …”
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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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Workflow for investigation of Out of Specification results in physico-chemical laboratory in Alkaloid by Andrea Alagjozovska, Milena Dobrkovikj Shotarovska, Maja Mindoseva, Stefan Petrovski, Gordana Mitrovska, Sanja Despotovska, Ornela Kuzmanovska, Elizabeta Karadzinska, Olivera Paneva

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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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