Browsing Kimya Bölümü by Category "Rapor"
Now showing items 21-29 of 29
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Removal of lead (II) from aqueous solution using epichlorohydrin cross-linked shrimp waste-derived chitosan based @ calcium phosphates biocomposite: Experimental study and computational approach
(2023)An economical composite has been synthesized utilizing chitosan derived from discarded shrimp shells and hydroxyapatite extracted from waste bovine bones. This research delves into the composite's adsorption properties for ... -
Revealing the new structure of B8N8 nanocage and comparison of hydrogen storage capacity
(2022)The new structure for B8N8 nanocage was revealed. This structure is completely different from the known structure. The structural properties of investigated structures were investigated and compared with each other. The ... -
Scale factor database for the vibration frequencies calculated in M06-2X, one of the DFT methods
(2021)Vibrational scale factors were determined for the M06-2X method. The calculated scale factors were supported statistically. The main objective is to determine the concordance between frequencies. Descriptive statistics ... -
Spectroscopic (FT-IR, NMR, single crystal XRD) and DFT studies including FMO, Mulliken charges, and Hirshfeld surface analysis, molecular docking and ADME analyses of 2-amino-4 -fluorobenzophenone (FAB)
(2022)In this work, synthesis, and crystal structure of molecule 2-amino-4 -fluorobenzophenone (FAB) is con- firmed by using FT-IR, FT-Raman, 1 H and 13 C NMR chemical shifts, compared with calculated parameters using B3LYP/ ... -
Synthesis of diaryl urea derivatives and evaluation of their antiproliferative activities in colon adenocarcinoma
(2022)Colon cancer is one of the leading causes of cancer-related deaths today. Serious research for ideal chemotherapy continues today. In this context, newly synthesized molecules have an essential role in cancer treatment ... -
Synthesis, in silico and investigation of anti-breast cancer activity of new diphenyl urea derivatives: Experimental and computational study
(2022)Cancer is a complex disease that requires multidisciplinary treatment. One of the most common cancers is breast cancer, and these cancers are usually estrogen receptor-positive. Today, chemotherapy, as well as surgery, has ... -
Synthesis, In Vitro Cytotoxicity, and DFT Studies of Novel 2- Amino Substituted Benzonaphthyridines as PDK1 Inhibitors
(2022)The present work emphasizes the utility of 2,4-dichloro-5- methylbenzo[h][1,6]naphthyridine as starting precursors. The reaction of 2,4-dichloro-5-methylbenzo[h][1,6]naphthyridine with a variety of aliphatic and aromatic ... -
Synthesis, nanostructuring and in silico studies of a new imine bond containing a macroheterocycle as a promising PBP-2a non-b-lactam inhibitor
(2023)This study is devoted to the synthesis of a 40-membered macroheterocycle with its further nanostructuring by magnetite nanoparticles. The mentioned macroheterocycle was synthesized by the [2+2] cyclocondensation of the ... -
Ultrasonic-assisted cloud point microextraction and spectrophotometric determination of Ponceau 4R in various beverage samples using Non-ionic surfactant PONPE 7.5
(Taylor & Francis, 2021)In the current study, a simple, cheap, and fast analytical procedure, termed ultrasonic-assisted cloud point microextraction (UA-CPME), combined with UV-VIS spectrophotometry, was developed for the pre-concentration and ...