You are currently viewing a new version of our website. To view the old version click .

Molecules, Volume 27, Issue 12

June-2 2022 - 316 articles

Cover Story: Advanced carbon microelectrodes based on carbon nanotubes (CNTs) are being developed for the in vivo detection of neurotransmitters such as dopamine (DA). We use molecular dynamics simulations to investigate the adsorbed structures and surface diffusion dynamics of DA and related species on CNTs of varying curvature and helicity and in the groove between two aligned CNTs. We find that diffusion depends upon curvature and correlates with the vertical placement of the adsorbate’s moieties, its tilt angle, its orientation along the CNT axis, and the number of waters in its first hydration shell, all of which will influence its effective hydrodynamic radius. In addition, DA diffuses into and remains in the groove between the pair of aligned CNTs, enhancing diffusivity along the CNT axis. View this paper
  • Issues are regarded as officially published after their release is announced to the table of contents alert mailing list .
  • You may sign up for email alerts to receive table of contents of newly released issues.
  • PDF is the official format for papers published in both, html and pdf forms. To view the papers in pdf format, click on the "PDF Full-text" link, and use the free Adobe Reader to open them.

Articles (316)

  • Article
  • Open Access
2 Citations
3,059 Views
15 Pages

Quality Assessment of Apple and Grape Juices from Serbian and German Markets by Planar Chromatography—Chemometrics

  • Đurđa Krstić,
  • Petar Ristivojević,
  • Filip Andrić,
  • Dušanka Milojković-Opsenica and
  • Gertrud E. Morlock

19 June 2022

The high consumption of plant-based foods on a global scale has increased the number of adulterations in the food industry. Along with this, analytical approaches to fraud detection need to be further developed. A nontargeted effect-directed profilin...

  • Article
  • Open Access
2,453 Views
12 Pages

Electrophile-Dependent Reactivity of Lithiated N-Benzylpyrene-1-Carboxamide

  • Magdalena Ciechańska,
  • Anna Wrona-Piotrowicz,
  • Karolina Koprowska,
  • Anna Makal and
  • Janusz Zakrzewski

19 June 2022

In this paper, we describe the lithiation of N-benzylpyrene-1-carboxamide with RLi-TMEDA. We found that the reaction outcome strongly depends on the electrophile used in the quenching step. The electrophile can be introduced at either the benzylic po...

  • Article
  • Open Access
6 Citations
2,676 Views
10 Pages

19 June 2022

A pair of chiral nanocluster complexes were formed by the host−guest interaction between the enantiomeric 2,6-helic[6]arenes and nanocluster Ag20. The formation and stability of the nanocluster complexes were experimentally and theoretically co...

  • Article
  • Open Access
9 Citations
4,653 Views
15 Pages

AddictedChem: A Data-Driven Integrated Platform for New Psychoactive Substance Identification

  • Mengying Han,
  • Sheng Liu,
  • Dachuan Zhang,
  • Rui Zhang,
  • Dongliang Liu,
  • Huadong Xing,
  • Dandan Sun,
  • Linlin Gong,
  • Pengli Cai and
  • Weizhong Tu
  • + 2 authors

19 June 2022

The mechanisms underlying drug addiction remain nebulous. Furthermore, new psychoactive substances (NPS) are being developed to circumvent legal control; hence, rapid NPS identification is urgently needed. Here, we present the construction of the com...

  • Review
  • Open Access
17 Citations
4,156 Views
28 Pages

19 June 2022

A combination of different types of redox-active systems in one molecule makes it possible to create coordination compounds with extended redox abilities, combining molecular and electronic structures determined by the features of intra- and intermol...

  • Article
  • Open Access
4 Citations
2,866 Views
10 Pages

Dipeptidyl Peptidase 3 Activity as a Promising Biomarker of Bone Fragility in Postmenopausal Women

  • Ciro Menale,
  • Gaia Tabacco,
  • Anda Mihaela Naciu,
  • Maria Lucia Schiavone,
  • Francesca Cannata,
  • Emanuela Morenghi,
  • Cristina Sobacchi and
  • Andrea Palermo

19 June 2022

The dipeptidyl peptidase 3 (Dpp3) is a ubiquitous zinc-dependent aminopeptidase, participating in the activation or degradation of signaling peptides and in the Keap1–Nrf2 antioxidant pathway. The absence of Dpp3 in the Dpp3 knockout mouse mode...

  • Communication
  • Open Access
1 Citations
2,146 Views
9 Pages

19 June 2022

Accurately characterizing the conformational variation of novel molecular assemblies is important but often ignored due to limited characterization methods. Herein, we reported the use of ion-mobility mass spectrometry (IMS/MS) to investigate the con...

  • Article
  • Open Access
4 Citations
2,085 Views
17 Pages

Influence of Farming System and Forecrops of Spring Wheat on Protein Content in the Grain and the Physicochemical Properties of Unsonicated and Sonicated Gluten

  • Marta Tomczyńska-Mleko,
  • Cezary Andrzej Kwiatkowski,
  • Elżbieta Harasim,
  • Justyna Leśniowska-Nowak,
  • Stanisław Mleko,
  • Konrad Terpiłowski,
  • Salvador Pérez-Huertas and
  • Olimpia Klikocka-Wiśniewska

19 June 2022

The potential for enhancing the spring wheat protein content by different cultivation strategies was explored. The influence of ultrasound on the surface and rheological properties of wheat-gluten was also studied. Spring wheat was cultivated over th...

  • Article
  • Open Access
10 Citations
2,703 Views
9 Pages

Effect of Various Retentive Element Materials on Retention of Mandibular Implant-Retained Overdentures

  • Atitiya Chindarungruangrat,
  • Trinuch Eiampongpaiboon and
  • Bundhit Jirajariyavej

19 June 2022

This study aimed to examine the retentive characteristics of each retentive element material and the effects from thermocycling using the two implant-retained mandibular overdenture model. Two stud abutments and three retentive element materials; nyl...

  • Article
  • Open Access
5 Citations
2,033 Views
13 Pages

18 June 2022

The computational method for estimating the geometry of two coupled hydrogen bonds with geometries close to linear using a pair of spectral NMR parameters was proposed. The method was developed based on the quantum-chemical investigation of 61 comple...

of 32

Get Alerted

Add your email address to receive forthcoming issues of this journal.

XFacebookLinkedIn
Molecules - ISSN 1420-3049