Results 31 to 40 of about 3,593 (197)

Prediction and evaluation of pyrimidinones derivatives: DFT analysis, corrosion inhibition, and bioactivity studies

Results in Surfaces and Interfaces
Analyzing binary heterocyclic pyrimidinones using density functional theory (DFT) calculations and Monte Carlo (MC) simulations, as well as assessing their ADME (Absorption, Distribution, Metabolism, and Excretion) and toxicological properties is the ...
Ahmed M. Wahba, Kamel Shoueir, Abd El-Aziz S. Fouda   +2 more
doaj   +1 more source

The role of phosphotungstic acid in enhancing the catalytic performance of UiO-66 (Zr) and its applications as an efficient solid acid catalyst for coumarins and dihydropyrimidinones synthesis

Catalysis Communications, 2022
In recent study, we report a facile and easy technique for the synthesis phosphotungstic acid (PTA) with different weight contents (10, 25, 50 and 75 wt%) loaded on UiO-66 (Zr) as efficient and reusable catalysts for the preparation of coumarin and ...
Fares T. Alshorifi, Dina E. Tobbala, Salah M. El-Bahy, Mohamed A. Nassan, Reda S. Salama   +4 more
doaj   +1 more source

A Synthetic Approach to Pyrazolopyranopyrimidinones and Pyrazolopyranooxazinones as Antimicrobial Agents

Journal of Chemistry, 2016
The hitherto unknown 6-amino-4-(2-chloro-5-nitrophenyl)-3-methyl-1,4-dihydropyrano[2,3-c] pyrazole-5-carbonitrile 1a was synthesized. Both 1a and its 2,4 dichlorophenyl derivative 1b were utilized as building blocks for the preparation of novel class of ...
A. K. Elziaty, G. Bassioni, A. M. A. Hassan, H. A. Derbala, M. S. Abdel-Aziz   +4 more
doaj   +1 more source

A Review on Five and Six-Membered Heterocyclic Compounds Targeting the Penicillin-Binding Protein 2 (PBP2A) of Methicillin-Resistant Staphylococcus aureus (MRSA)

Molecules, 2023
Staphylococcus aureus is a common human pathogen. Methicillin-resistant Staphylococcus aureus (MRSA) infections pose significant and challenging therapeutic difficulties.
Shraddha S. Ambade, Vivek Kumar Gupta, Ritesh P. Bhole, Pramod B. Khedekar, Rupesh V. Chikhale   +4 more
doaj   +1 more source

Bio‐Inspired Molecular Events in Poly(Ionic Liquids)

Advanced Functional Materials, EarlyView.
Originating from dipolar and polar inter‐ and intra‐chain interactions of the building blocks, the topologies and morphologies of poly(ionic liquids) (PIL) govern their nano‐ and micro‐processibility. Modulating the interactions of cation‐anion pairs with aliphatic dipolar components enables the tunability of properties, facilitated by “bottom‐up ...
Jiahui Liu, Marek W. Urban
wiley   +1 more source

Self‐Assembled Monolayers in p–i–n Perovskite Solar Cells: Molecular Design, Interfacial Engineering, and Machine Learning–Accelerated Material Discovery

Advanced Materials, EarlyView.
This review highlights the role of self‐assembled monolayers (SAMs) in perovskite solar cells, covering molecular engineering, multifunctional interface regulation, machine learning (ML) accelerated discovery, advanced device architectures, and pathways toward scalable fabrication and commercialization for high‐efficiency and stable single‐junction and
Asmat Ullah, Ying Luo, Stefaan De Wolf
wiley   +1 more source

An efficient synthesis of new fluorinated uracil derivatives [PDF]

, 2003
A series of potentially biologically active fluorinated uracil derivatives has been prepared in three steps from oxazolines and fluorinated nitriles with good chemical yields.Fustero Lardies, Santos, Santos.Fustero@uv.es ; Sanz Cervera, Juan Francisco ...
Asensio Martínez, Amparo, Fustero Lardiés, Santos, Piera, Julio, Salavert, Esther, Sanz Cervera, Juan Francisco   +4 more
core   +1 more source

Dynamic Supramolecular Polyurethane Elastomers Enabling Bioinspired Strain‐Adaptive Stiffening to Resolve the Softness–Strength Paradox

Advanced Science, EarlyView.
Segmental‐level molecular engineering of a supramolecular polyurethane elastomer integrates strain‐adaptive chains, soft elastic segments, and dynamic hydrogen bonding motifs. This design reconciles skin‐like softness with muscle‐level strength, offering a sustainable and high‐performance material platform for next‐generation artificial skin and soft ...
Haoming Zou, Zhi‐Xiong Fei, Zhao Yang, Ke‐Ke Yang, Dong‐Xu Yang, Ling‐Ying Shi   +5 more
wiley   +1 more source

Efficient synthesis, reactions and spectral characterization of pyrazolo[4’,3’:4,5]thieno[3,2-d] pyrimidines and related heterocycles

Heterocyclic Communications, 2019
New pyrazolothienopyrimidines were synthesized. The key intermediate 4-aminothieno[2,3-c]pyrazole-5-carbonitrile 1 was converted to the chloroacetyl amino derivative 2 followed by nucleophilic substitution and Dimorth rearrangement upon treatment with ...
Zaki Remon M., Kamal El-Dean Adel M., Radwan Shaban M., Saber Ahmed F.   +3 more
doaj   +1 more source

Pyrimidinone: versatile Trojan horse in DNA photodamage?

Photochemical & Photobiological Sciences, 2015
Abstract (6-4) Photolesions between adjacent pyrimidine DNA bases are prone to secondary photochemistry. It has been shown that singlet excited (6-4) moieties form Dewar valence isomers as well as triplet excitations. We here report on the triplet state of a minimal model for the (6-4) photolesion, 1-methyl-2(1H)-pyrimidinone.
Mathias, Micheel, Christian, Torres Ziegenbein, Peter, Gilch, Gerald, Ryseck   +3 more
openaire   +3 more sources