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
25 Citations
3,974 Views
11 Pages

Microwave-Assisted and Conventional Extractions of Volatile Compounds from Rosa x damascena Mill. Fresh Petals for Cosmetic Applications

  • Carla Villa,
  • Francesco Saverio Robustelli Della Cuna,
  • Eleonora Russo,
  • Mohammed Farhad Ibrahim,
  • Elena Grignani and
  • Stefania Preda

20 June 2022

Rosa x damascena Mill. essential oil is mainly used in the cosmetics and perfumery industry, but it also finds application in the food industry as a flavoring agent. The chemical composition of essential oils is affected by environment, soil, harvest...

  • Article
  • Open Access
11 Citations
3,783 Views
17 Pages

Halogen-Based 17β-HSD1 Inhibitors: Insights from DFT, Docking, and Molecular Dynamics Simulation Studies

  • Arulsamy Kulandaisamy,
  • Murugesan Panneerselvam,
  • Rajadurai Vijay Solomon,
  • Madhavan Jaccob,
  • Jaganathan Ramakrishnan,
  • Kumaradhas Poomani,
  • Muralikannan Maruthamuthu and
  • Nagendran Tharmalingam

20 June 2022

The high expression of 17β-hydroxysteroid dehydrogenase type 1 (17β-HSD1) mRNA has been found in breast cancer tissues and endometriosis. The current research focuses on preparing a range of organic molecules as 17β-HSD1 inhibitors. Am...

  • Article
  • Open Access
9 Citations
2,890 Views
14 Pages

A New Method for Calculating the Relative Permeability Curve of Polymer Flooding Based on the Viscosity Variation Law of Polymer Transporting in Porous Media

  • Wenchao Jiang,
  • Zhaowei Hou,
  • Xiaolin Wu,
  • Kaoping Song,
  • Erlong Yang,
  • Bin Huang,
  • Chi Dong,
  • Shouliang Lu,
  • Liyan Sun and
  • Jian Gai
  • + 5 authors

20 June 2022

Relative permeability of polymer flooding plays a very important role in oil field development. This paper aimed to measure and calculate the relative permeability curves of polymer flooding more accurately. First, viscosity variation law of polymer...

  • Article
  • Open Access
12 Citations
3,451 Views
23 Pages

Antioxidant Activity and Cytotoxicity of Aromatic Oligosulfides

  • Victoria Osipova,
  • Yulia Gracheva,
  • Maria Polovinkina,
  • Daria Burmistrova and
  • Nadezhda Berberova

20 June 2022

Natural or synthetic antioxidants with biomimetic fragments protect the functional and structural integrity of biological molecules at a minimum concentration, and may be used as potential chemotherapeutic agents. This paper is devoted to in silico a...

  • Article
  • Open Access
7 Citations
2,701 Views
16 Pages

Design, Synthesis and Cytotoxic Activity Evaluation of Newly Synthesized Amides-Based TMP Moiety as Potential Anticancer Agents over HepG2 Cells

  • Tarfah Al-Warhi,
  • Adil Aldhahrani,
  • Fayez Althobaiti,
  • Eman Fayad,
  • Ola A. Abu Ali,
  • Sarah Albogami,
  • Ali H. Abu Almaaty,
  • Amgad I. M. Khedr,
  • Syed Nasir Abbas Bukhari and
  • Islam Zaki

20 June 2022

A novel series of amides based TMP moiety was designed, synthesized and evaluated for their antiproliferative as well as enzyme inhibition activity. Compounds 6a and 6b showed remarkable cytotoxic activity against HepG2 cells with IC50 values 0.65 an...

  • Article
  • Open Access
31 Citations
4,499 Views
12 Pages

Trichoderma Enzymes for Degradation of Aflatoxin B1 and Ochratoxin A

  • Irene Dini,
  • Vittoria Alborino,
  • Stefania Lanzuise,
  • Nadia Lombardi,
  • Roberta Marra,
  • Anna Balestrieri,
  • Alberto Ritieni,
  • Sheridan L. Woo and
  • Francesco Vinale

20 June 2022

The contamination of agricultural products with mycotoxins causes risks to animal and human health and severe economic losses. Mycotoxicoses can be reduced by preventing fungal infection using chemical and biological approaches. The chemical strategi...

  • Article
  • Open Access
5 Citations
4,678 Views
13 Pages

Determination of 2-Acetyl-1-pyrroline via a Color-Change Reaction Using Chromium Hexacarbonyl

  • Chonlada Bennett,
  • Woraprapa Sriyotai,
  • Sirakorn Wiratchan,
  • Natthawat Semakul and
  • Sugunya Mahatheeranont

20 June 2022

At present, there is no colorimetric method for the quantitation of the aroma compound 2-acetyl-1-pyrroline (2AP). A novel colorimetric method was developed for the determination of 2AP content using chromium hexacarbonyl (Cr(CO)6) as a reagent. The...

  • Review
  • Open Access
19 Citations
4,938 Views
21 Pages

The Role of Saponins in the Treatment of Neuropathic Pain

  • Bei Tan,
  • Xueqing Wu,
  • Jie Yu and
  • Zhong Chen

20 June 2022

Neuropathic pain is a chronic pain caused by tissue injury or disease involving the somatosensory nervous system, which seriously affects the patient’s body function and quality of life. At present, most clinical medications for the treatment o...

  • Article
  • Open Access
4 Citations
2,552 Views
17 Pages

Influence of Test Specimen Geometry and Water Soaking on the In Vitro Cytotoxicity of Orthocryl®, Orthocryl® LC, Loctite® EA 9483 and Polypropylene

  • Richard Behnke,
  • Franka Stahl,
  • Kathrin Duske,
  • Mareike Warkentin,
  • Margit Schwartz,
  • Burkhard Hinz and
  • Udo Walther

20 June 2022

Depending on their composition, plastics have a cytotoxic potential that needs to be evaluated before they are used in dentistry, e.g., as orthodontic removable appliances. Relevant guidelines set out requirements that a potential new resin in the me...

  • Article
  • Open Access
35 Citations
3,839 Views
13 Pages

20 June 2022

Astaxanthin (AST) is a type of ketone carotenoid having significant antioxidation and anticancer abilities. However, its application is limited due to its low stability and bioavailability. In our study, poly (lactic-co-glycolic acid) (PLGA)-encapsul...

of 32

Get Alerted

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

XFacebookLinkedIn
Molecules - ISSN 1420-3049