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10 Results Found

  • Article
  • Open Access
95 Citations
6,743 Views
20 Pages

Molecular Structure, Electronic Properties, Reactivity (ELF, LOL, and Fukui), and NCI-RDG Studies of the Binary Mixture of Water and Essential Oil of Phlomis bruguieri

  • Feride Akman,
  • Azize Demirpolat,
  • Aleksandr S. Kazachenko,
  • Anna S. Kazachenko,
  • Noureddine Issaoui and
  • Omar Al-Dossary

16 March 2023

Essential oils are volatile oil-like liquids with a characteristic strong smell and taste. They are formed in plants and are then extracted. Essential oils have extremely strong physiological and pharmacological properties, which are used in the medi...

  • Article
  • Open Access
28 Citations
4,108 Views
19 Pages

25 September 2022

This study describes the non-covalent interactions of the charge transfer complex (CT), which was responsible for the synthesis of Linagliptin (LNG) with 2,3-Dichloro-5,6-Dicyano-1,4-benzoquinone (DDQ), or with Chloranilic acid (CHA) complexes in ace...

  • Article
  • Open Access
1 Citations
1,310 Views
20 Pages

DFT Study of PVA Biocomposite/Oyster Shell (CaCO3) for the Removal of Heavy Metals from Wastewater

  • Jose Alfonso Prieto Palomo,
  • Juan Esteban Herrera Zabala and
  • Joaquín Alejandro Hernández Fernández

The persistent contamination of aquatic environments by heavy metals, particularly Pb2+, Cd2+, and Cu2+, poses a serious global threat due to their toxicity, persistence, and bioaccumulative behavior. In response, low-cost and eco-friendly adsorbents...

  • Communication
  • Open Access
16 Citations
3,425 Views
8 Pages

Aurophilic Interactions in Cationic Three-Coordinate Gold(I) Bipyridyl/Isocyanide Complex

  • Mariya V. Grudova,
  • Alexander S. Novikov,
  • Alexey S. Kubasov,
  • Victor N. Khrustalev,
  • Anatoly A. Kirichuk,
  • Valentine G. Nenajdenko and
  • Alexander G. Tskhovrebov

26 April 2022

Gold(I) isocyanide complexes featuring Au···Au interactions attract considerable attention because of their tunable photophysical properties. Although the synthetic exploration of isocyanide gold(I) complexes seems reasonable, th...

  • Article
  • Open Access
40 Citations
3,429 Views
15 Pages

19 September 2022

This study aims to experimentally and theoretically examine the plant Aethionema sancakense, which was determined as a new species and whose essential oil and fatty acid compositions were characterized by GC/GC-MS technique. Linoleic acid (23.1%), &a...

  • Article
  • Open Access
531 Views
27 Pages

Synthesis of New Schiff Bases Derived from Sulfamethoxazole and Aromatic Aldehydes with High Antibiofilm Activity in Rapidly Growing Mycobacteria Samples

  • Fallon dos Santos Siqueira,
  • Josiéli Demétrio Siqueira,
  • Alencar Kolinski Machado,
  • Michele Rorato Sagrillo,
  • Yuri Clemente Andrade Sokolovicz,
  • Marieli Friedrich Loreto,
  • Thiago Augusto de Lima Burgo,
  • Carlos Serpa,
  • Otávio Augusto Chaves and
  • Davi Fernando Back
  • + 1 author

Background: Rapidly growing mycobacteria (RGM) are microorganisms with variable pathogenicity, which can cause different clinical forms of mycobacterioses. They can form structured communities at the liquid-air interface and adhere to animate and ina...

  • Article
  • Open Access
11 Citations
2,502 Views
17 Pages

Synthesis and Computational and X-ray Structure of 2, 3, 5-Triphenyl Tetrazolium, 5-Ethyl-5-phenylbarbituric Acid Salt

  • Ahmed H. Bakheit,
  • Hazem A. Ghabbour,
  • Hadayt Hussain,
  • Rashad Al-Salahi,
  • Essam A. Ali and
  • Gamal A. E. Mostafa

24 November 2022

The title compound triphenyl tetrazolium (TPT) of phenobarbital, 5-Ethyl-5-phenylbarbituric acid triphenyl tetrazolium salt (4) was prepared by the reaction of 5-Ethyl-5-phenyl-2,4,6(1H, 3H, 5H)-pyrimidinetrione, monosodium salt (1) with triphenyl te...

  • Article
  • Open Access
12 Citations
3,048 Views
14 Pages

Theoretical Modeling of B12N12 Nanocage for the Effective Removal of Paracetamol from Drinking Water

  • Kainat,
  • Sana Gul,
  • Qaisar Ali,
  • Momin Khan,
  • Munir Ur Rehman,
  • Mohammad Ibrahim,
  • Abdullah F. AlAsmari,
  • Fawaz Alasmari and
  • Metab Alharbi

14 September 2023

In our current investigation, we employed a B12N12 nanocage to extract paracetamol from water utilizing a DFT approach. We explored three distinct positions of paracetamol concerning its interaction with the B12N12 nanocage, designated as complex-1 (...

  • Article
  • Open Access
748 Views
20 Pages

Structural and Magneto-Optical Study on the Tetrahedrally Configured [CoCl2(1-allylimidazole)2] and Molecular Docking to Hypoxia-Inducible Factor-1α

  • Hela Ferjani,
  • Bruno Poti e Silva,
  • Faizul Azam,
  • Yasmeen G. Abou El-Reash,
  • Tarek Yousef,
  • Nahal Rouzbeh,
  • Leonhard Rochels,
  • Sabrina Disch,
  • Sascha A. Schäfer and
  • Axel Klein

23 October 2025

The Co(II) complex [CoCl2(AImd)2] (AImd = 1-allylimidazole) was reinvestigated using a combination of experimental and theoretical methods. The previously reported crystal structure was redetermined and Hirshfeld surface analysis and enrichment ratio...

  • Article
  • Open Access
25 Citations
3,199 Views
22 Pages

Removal of Malachite Green Using Hydrochar from PALM Leaves

  • Hassan H. Hammud,
  • Mohamad H. Hammoud,
  • Aqeel A. Hussein,
  • Youssef B. Fawaz,
  • Malai Haniti Sheikh Abdul Hamid and
  • Nadeem S. Sheikh

1 June 2023

Biochar was prepared by the hydrothermal carbonization (HTC) of palm leaves, characterized, and utilized as an adsorbent for Malachite Green dye (MG). The Higher Heating Value (HHV) of biochar depends on the carbonization temperature and has a maximu...