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Molecules, Volume 28, Issue 4

February-2 2023 - 484 articles

Cover Story: The complexation abilities of cucurbiturils (CBs) could be enhanced with the assistance of metal cations, which can exert a dual effect on the complexation process: either by competitively binding to the host entity or cooperatively associating to the CB[n]-guest structures. The current study focuses on the role of two metal species (Mg2+ and Ga3+) in the complex formation of CBs with three dye molecules: Thiazole Orange, Neutral Red, and Thioflavin T. Various key factors influencing the process have been recognized such as the pH and dielectric constant of the medium, cavity size of the host, Mn+ charge, and presence/absence of hydration shell around the metal cation. The results obtained from density functional theory (DFT) calculations shed new light on several aspects of the cucurbituril complexation chemistry. View this paper
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Articles (484)

  • Article
  • Open Access
2 Citations
2,857 Views
15 Pages

20 February 2023

Quantum beat frequency is the basis for understanding interference effects and vibrational wave packet dynamics and has important applications. Using femtosecond time-resolved mass spectrometry and femtosecond time-resolved photoelectron image combin...

  • Review
  • Open Access
16 Citations
6,097 Views
26 Pages

Targeting Epigenetic Changes Mediated by Members of the SMYD Family of Lysine Methyltransferases

  • Alyssa Padilla,
  • John F. Manganaro,
  • Lydia Huesgen,
  • Deborah A. Roess,
  • Mark A. Brown and
  • Debbie C. Crans

20 February 2023

A comprehensive understanding of the mechanisms involved in epigenetic changes in gene expression is essential to the clinical management of diseases linked to the SMYD family of lysine methyltransferases. The five known SMYD enzymes catalyze the tra...

  • Review
  • Open Access
10 Citations
5,563 Views
35 Pages

Synthesis and Application Dichalcogenides as Radical Reagents with Photochemical Technology

  • Cairong Wang,
  • Yan Zhang,
  • Kai Sun,
  • Tingting Yu,
  • Fei Liu and
  • Xin Wang

20 February 2023

Dichalcogenides (disulfides and diselenides), as reactants for organic transformations, are important and widely used because of their potential to react with nucleophiles, electrophilic reagents, and radical precursors. In recent years, in combinati...

  • Article
  • Open Access
6 Citations
5,834 Views
26 Pages

Synthesis of New Amino-Functionalized Porphyrins:Preliminary Study of Their Organophotocatalytic Activity

  • Pol Torres,
  • Marian Guillén,
  • Marc Escribà,
  • Joaquim Crusats and
  • Albert Moyano

20 February 2023

The design, synthesis, and initial study of amino-functionalized porphyrins as a new class of bifunctional catalysts for asymmetric organophotocatalysis is described. Two new types of amine–porphyrin hybrids derived from 5,10,15,20-tetraphenylp...

  • Article
  • Open Access
15 Citations
4,875 Views
21 Pages

From Aquaculture to Aquaculture: Production of the Fish Feed Additive Astaxanthin by Corynebacterium glutamicum Using Aquaculture Sidestream

  • Ina Schmitt,
  • Florian Meyer,
  • Irene Krahn,
  • Nadja A. Henke,
  • Petra Peters-Wendisch and
  • Volker F. Wendisch

20 February 2023

Circular economy holds great potential to minimize the use of finite resources, and reduce waste formation by the creation of closed-loop systems. This also pertains to the utilization of sidestreams in large-scale biotechnological processes. A flexi...

  • Article
  • Open Access
9 Citations
4,123 Views
17 Pages

Flow-Based Fmoc-SPPS Preparation and SAR Study of Cathelicidin-PY Reveals Selective Antimicrobial Activity

  • Shama Dissanayake,
  • Junming He,
  • Sung H. Yang,
  • Margaret A. Brimble,
  • Paul W. R. Harris and
  • Alan J. Cameron

20 February 2023

Antimicrobial peptides (AMPs) hold promise as novel therapeutics in the fight against multi-drug-resistant pathogens. Cathelicidin-PY (NH2-RKCNFLCKLKEKLRTVITSHIDKVLRPQG-COOH) is a 29-residue disulfide-cyclised antimicrobial peptide secreted as an inn...

  • Article
  • Open Access
4 Citations
2,620 Views
17 Pages

OAT3 Participates in Drug–Drug Interaction between Bentysrepinine and Entecavir through Interactions with M8—A Metabolite of Bentysrepinine—In Rats and Humans In Vitro

  • Aijie Zhang,
  • Fanlong Yang,
  • Yang Yuan,
  • Cai Li,
  • Xiaokui Huo,
  • Jing Liu,
  • Shenzhi Zhou,
  • Wei Li,
  • Na Zhang and
  • Jianfeng Liu
  • + 4 authors

20 February 2023

Bentysrepinine (Y101) is a novel phenylalanine dipeptide for the treatment of hepatitis B virus. Renal excretion played an important role in the elimination of Y101 and its metabolites, M8 and M9, in healthy Chinese subjects, although the molecular m...

  • Review
  • Open Access
5 Citations
3,427 Views
19 Pages

20 February 2023

Since the discovery of ionic liquids (ILs) as a new class of liquid that can survive in a vacuum at room temperature, they have been aimed at being characterized with vacuum analysis techniques and used in vacuum processes for the last two decades. I...

  • Communication
  • Open Access
4 Citations
3,508 Views
12 Pages

Low-Coordinate Mixed Ligand NacNac Complexes of Rare Earth Metals

  • Svetlana V. Klementyeva,
  • Taisiya S. Sukhikh,
  • Pavel A. Abramov and
  • Andrey I. Poddel’sky

20 February 2023

We report the synthesis and characterization of two types of new mixed-ligand rare earth complexes: tetracoordinate (NacNacMes)Ln(BIANdipp) (Ln = Dy (1), Er (2) and Y (3)) and pentacoordinate (NacNacMes)Ln(APdipp)(THF) (Ln = Dy (4), Er (5) and Y (6))...

  • Article
  • Open Access
7 Citations
3,650 Views
18 Pages

Impact of Sample Preparation Methods on Single-Cell X-ray Microscopy and Light Elemental Analysis Evaluated by Combined Low Energy X-ray Fluorescence, STXM and AFM

  • Lucia Merolle,
  • Lorella Pascolo,
  • Luisa Zupin,
  • Pietro Parisse,
  • Valentina Bonanni,
  • Gianluca Gariani,
  • Sasa Kenig,
  • Diana E. Bedolla,
  • Sergio Crovella and
  • Giuseppe Ricci
  • + 4 authors

20 February 2023

Background: Although X-ray fluorescence microscopy is becoming a widely used technique for single-cell analysis, sample preparation for this microscopy remains one of the main challenges in obtaining optimal conditions for the measurements in the X-r...

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Molecules - ISSN 1420-3049