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Mercury and Autism Spectrum Disorder: Exploring the Link through Comprehensive Review and Meta-Analysis
(Biomedicines, 2023)
Mercury (Hg) is a non-essential trace metal with unique neurochemical properties and harmful effects on the central nervous system. In this study, we present a comprehensive review and meta-analysis of peer-reviewed research ...
Kinetics and column adsorption study of diclofenac and heavy-metal ions removal by amino-functionalized lignin microspheres
(Elsevier, 2021)
In-depth kinetic and column adsorption study for diclofenac, DCF, heavy-metal and oxyanions adsorption on highly effective amino-functionalized lignin-based microsphere adsorbent (A-LMS) is examined. The A-LMS was synthesized ...
Assessing the Fatty Acid, Carotenoid, and Tocopherol Compositions of Seeds from Apple Cultivars (Malus domestica Borkh.) Grown in Norway
(MDPI, 2021)
Apple production generates large amounts of apple pomace including seeds, leading to high transportation costs, public health hazards and undesirable odor. A new reuse strategy of this kind of waste could solve environmental ...
Development of iminosugar-based glycosidase inhibitors as drug candidates for SARS-CoV-2 virus via molecular modelling and in vitro studies
(Taylor and Francis Group, 2024)
We developed new iminosugar-based glycosidase inhibitors against SARS-CoV-2. Known drugs (miglustat, migalastat, miglitol, and swainsonine) were chosen as lead compounds to develop three classes of glycosidase inhibitors ...
Crystallographic and Quantum Chemical Study of NH/π Interactions of Metal Ammine Complexes with Aromatic Rings in the Second Coordination Sphere
(American Chemical Society, 2024)
Interactions of coordinated ammonia and C6-aromatic rings were studied by analyzing crystal structures in the Cambridge Structural Database (CSD) and by quantum chemical calculations. Interactions between coordinated ammonia ...
Potential energy surfaces of antiparallel water-water interactions
(Elsevier, 2023)
Antiparallel water-water interaction is a significant interaction between two water molecules and plays an important role in liquid water. The potential energy surface of antiparallel water-water interaction was calculated ...
Correlation of electrostatic potentials and electron accepting properties of fluorinated cubanes
(Elsevier, 2023)
The recent results on fluorinated cubanes showed good electron accepting abilities of octafluorocubane. Here we did the calculation of electrostatic potentials for cubane and its fluorinated derivatives. Maps of the ...
Computational and crystallographic study of hydrogen bonds in the second coordination sphere of chelated amino acids with a free water molecule: Influence of complex charge and metal ion
(Elsevier, 2024)
Hydrogen bonds of glycine complexes were calculated using quantum chemistry calculations at M06L-GD3/def2-TZVPP level and by analyzing the crystal structures from the Cambridge Structural Database (CSD). One hydrogen bond ...
New Aspects of Alcohol–Alcohol and Alcohol–Water Interactions: Crystallographic and Quantum Chemical Studies of Antiparallel O–H/O–H Interactions
(American Chemical Society, 2024)
New modes of interaction, antiparallel O–H/O–H interactions of alcohol–alcohol dimers and alcohol–water dimers, were studied by analyzing data in the Cambridge Structural Database (CSD) and by calculating potential energy ...