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Molecules, Volume 27, Issue 1

2022 January-1 - 330 articles

Cover Story: In this work we have studied jumping spider rhodopsin-1 (JSR1), a bistable rhodopsin due to the fact that the retinal chromophore has several stable forms which can be interconverted by light. This makes JSR1 an ideal candidate for applications such as optogenetics. To study this system we performed hybrid QM/MM simulations with the 9-cis, 11-cis and all-trans configurations of the retinal chromophore. The chromophore–protein interactions were analyzed using the electrostatic potential of the protein. We found that the distance between a nearby tyrosine (Y126) residue and the retinal chromophore plays a larger role in the predicted absorption maximum of the three isomers than the primary counterion (E194). Furthermore, there are structural changes in the polyene chain of the chromophore and the nearby hydrogen-bonding network. View this paper.
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Articles (330)

  • Review
  • Open Access
18 Citations
5,401 Views
18 Pages

5 January 2022

Neuropeptides are autocrine and paracrine signalling factors and mainly bind to G protein-coupled receptors (GPCRs) to trigger intracellular secondary messenger release including adenosine 3′, 5′-cyclic monophosphate (cAMP), thus modulati...

(This article belongs to the Special Issue Neuropeptides: From Physiology to Therapeutic Applications)
  • Communication
  • Open Access
10 Citations
3,902 Views
9 Pages

The Caenorhabditis elegans DEG-3/DES-2 Channel Is a Betaine-Gated Receptor Insensitive to Monepantel

  • Tina V. A. Hansen,
  • Heinz Sager,
  • Céline E. Toutain,
  • Elise Courtot and ,
  • Cédric Neveu and
  • Claude L. Charvet
  • + 1 author+ 0 author

5 January 2022

Natural plant compounds, such as betaine, are described to have nematocidal properties. Betaine also acts as a neurotransmitter in the free-living model nematode Caenorhabditis elegans, where it is required for normal motility. Worm motility is media...

(This article belongs to the Special Issue Recent Advances in the Modulation of Cholinergic Signaling)
  • Article
  • Open Access
27 Citations
6,242 Views
12 Pages

Tunisian Native Mentha pulegium L. Extracts: Phytochemical Composition and Biological Activities

  • Jed Jebali,
  • Hanene Ghazghazi,
  • Chedia Aouadhi,
  • Ines ELBini-Dhouib and ,
  • Ridha Ben Salem,
  • Najet Srairi-Abid,
  • Naziha Marrakchi and
  • Ghayth Rigane
  • + 3 authors+ 0 author

5 January 2022

Mint species (Lamiaceae family) have been used as traditional remedies for the treatment of several diseases. In this work, we aimed to characterize the biological activities of the total phenolic and flavonoid contents of Mentha pulegium L. extracts...

(This article belongs to the Special Issue Biological Activity of Plant Compounds and Extracts)
  • Review
  • Open Access
445 Citations
25,870 Views
31 Pages

5 January 2022

Plant secondary metabolites (PSMs) are vital for human health and constitute the skeletal framework of many pharmaceutical drugs. Indeed, more than 25% of the existing drugs belong to PSMs. One of the continuing challenges for drug discovery and phar...

(This article belongs to the Special Issue Bioactive Molecules and Drug Lead Compounds)
  • Article
  • Open Access
38 Citations
4,927 Views
17 Pages

5 January 2022

Common “glanded” (Gd) cottonseeds contain the toxic compound gossypol that restricts human consumption of the derived products. The “glandless” (Gl) cottonseeds of a new cotton variety, in contrast, show a trace gossypol conte...

(This article belongs to the Special Issue Feature Papers in Food Chemistry)
  • Article
  • Open Access
27 Citations
4,419 Views
13 Pages

5 January 2022

Ultrasound treatment is recognized as a potential technique for improvement in the nutritional values of fruit juices. This study was initiated with the objective of evaluating bioactive compounds and some important quality parameters of black (BC),...

  • Article
  • Open Access
56 Citations
5,449 Views
12 Pages

Cool Temperature Enhances Growth, Ferulic Acid and Flavonoid Biosynthesis While Inhibiting Polysaccharide Biosynthesis in Angelica sinensis

  • Han Dong,
  • Meiling Li,
  • Ling Jin,
  • Xiaorong Xie and ,
  • Mengfei Li and
  • Jianhe Wei
  • + 1 author+ 0 author

5 January 2022

Angelica sinensis, a perennial herb that produces ferulic acid and phthalides for the treatment of cardio-cerebrovascular diseases, prefers growing at an altitude of 1800–3000 m. Geographical models have predicted that high altitude, cool tempe...

(This article belongs to the Special Issue Plant Secondary Metabolites with Health Effects: Discovery and Engineering)
  • Article
  • Open Access
11 Citations
7,712 Views
21 Pages

Design, Synthesis, and Biological Evaluation of 5,6,7,8-Tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidines as Microtubule Targeting Agents

  • Farhana Islam,
  • Arpit Doshi,
  • Andrew J. Robles,
  • Tasdique M. Quadery and ,
  • Xin Zhang,
  • Xilin Zhou,
  • Ernest Hamel,
  • Susan L. Mooberry and
  • Aleem Gangjee
  • + 4 authors+ 0 author

5 January 2022

A series of eleven 4-substituted 5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidines were designed and synthesized and their biological activities were evaluated. Synthesis involved the Gewald reaction to synthesize ethyl 2-amino-4,5,6,7-tetrahydrob...

(This article belongs to the Special Issue Design, Synthesis and Applications of New Anti-cancer Agents II)
  • Article
  • Open Access
11 Citations
5,047 Views
15 Pages

Different Fruit-Specific Promoters Drive AtMYB12 Expression to Improve Phenylpropanoid Accumulation in Tomato

  • Xiangyu Ding,
  • Ziyi Yin,
  • Shaoli Wang,
  • Haoqi Liu and ,
  • Xiaomeng Chu,
  • Jiazong Liu,
  • Haipeng Zhao,
  • Xinyu Wang,
  • Yang Li and
  • Xinhua Ding
  • + 5 authors+ 0 author

5 January 2022

Tomato is an economically crucial vegetable/fruit crop globally. Tomato is rich in nutrition and plays an essential role in a healthy human diet. Phenylpropanoid, a critical compound in tomatoes, reduces common degenerative and chronic diseases risk...

(This article belongs to the Special Issue Phenolic Composition, Antioxidant Potential and Bioactive Potential of Natural Products)
  • Review
  • Open Access
43 Citations
8,147 Views
35 Pages

5 January 2022

Human protozoan diseases represent a serious health problem worldwide, affecting mainly people in social and economic vulnerability. These diseases have attracted little investment in drug discovery, which is reflected in the limited available therap...

(This article belongs to the Special Issue Molecules Medicinal Chemistry Reviews)
  • Editorial
  • Open Access
4 Citations
5,045 Views
5 Pages

5 January 2022

During the last 60 years the relevance for human health and disease of cannabis (Cannabis sativa or Cannabis indica) ingredients, like the psychoactive compound Δ9-tetrahydrocannabinol (THC), cannabidiol, 120+ cannabinoids and 440+ non-cannabin...

(This article belongs to the Special Issue A Themed Issue in Honor of Professor Raphael Mechoulam: The Father of Cannabinoid and Endocannabinoid Research)
  • Article
  • Open Access
38 Citations
9,853 Views
21 Pages

Antibacterial Activity of Pharmaceutical-Grade Rose Bengal: An Application of a Synthetic Dye in Antibacterial Therapies

  • Michio Kurosu,
  • Katsuhiko Mitachi,
  • Junshu Yang,
  • Edward V. Pershing and ,
  • Bruce D. Horowitz,
  • Eric A. Wachter,
  • John W. Lacey,
  • Yinduo Ji and
  • Dominic J. Rodrigues
  • + 4 authors+ 0 author

5 January 2022

Rose bengal has been used in the diagnosis of ophthalmic disorders and liver function, and has been studied for the treatment of solid tumor cancers. To date, the antibacterial activity of rose bengal has been sporadically reported; however, these da...

(This article belongs to the Special Issue Antibacterial Agents 2021)
  • Article
  • Open Access
12 Citations
4,063 Views
10 Pages

5 January 2022

The synthesis of metal-free carbon-based electrocatalysts for oxygen reduction reactions (ORR) to replace conventional Pt-based catalysts has become a hot spot in current research. This work proposes an activation-assisted carbonization strategy, to...

(This article belongs to the Special Issue Carbon-Based Materials for Sustainable Chemistry)
  • Article
  • Open Access
7 Citations
4,019 Views
14 Pages

Comparison of a Rapid Light-Induced and Forced Test to Study the Oxidative Stability of White Wines

  • Emilio Celotti,
  • Georgios Lazaridis,
  • Jakob Figelj,
  • Yuri Scutaru and
  • Andrea Natolino

5 January 2022

The oxidation processes of white wines can occur during storage and commercialization due to several factors, and these can negatively affect the color, aroma, and quality of the wine. Wineries should have faster and simpler methods that provide valu...

(This article belongs to the Special Issue Wine Sensory Faults: Origin, Prevention and Removal)
  • Article
  • Open Access
5 Citations
4,650 Views
12 Pages

Unpredicted Concentration-Dependent Sensory Properties of Pyrene-Containing NBN-Doped Polycyclic Aromatic Hydrocarbons

  • Hang Xiao,
  • Tao Li,
  • Xiao-Li Sun,
  • Wen-Ming Wan and ,
  • Hongli Bao,
  • Qingrong Qian and
  • Qinghua Chen
  • + 2 authors+ 0 author

5 January 2022

Pyrene molecules containing NBN-doped polycyclic aromatic hydrocarbons (PAHs) have been synthesized by a simple and efficient intermolecular dehydration reaction between 1-pyrenylboronic acid and aromatic diamine. Pyrene-B (o-phenylenediamine) with a...

(This article belongs to the Section Inorganic Chemistry)
  • Article
  • Open Access
  • Best Paper Award
75 Citations
10,284 Views
12 Pages

5 January 2022

The rapidly developing demand for lightweight portable electronics has accelerated advanced research on self-powered microsystems (SPMs) for peak power energy storage (ESs). In recent years, there has been, in this regard, a huge research interest in...

(This article belongs to the Special Issue The Chemistry of Sustainable Energy Conversion and Storage)
  • Review
  • Open Access
193 Citations
41,317 Views
13 Pages

Glutathione in Brain Disorders and Aging

  • Igor Y. Iskusnykh,
  • Anastasia A. Zakharova and
  • Dhruba Pathak

5 January 2022

Glutathione is a remarkably functional molecule with diverse features, which include being an antioxidant, a regulator of DNA synthesis and repair, a protector of thiol groups in proteins, a stabilizer of cell membranes, and a detoxifier of xenobioti...

  • Article
  • Open Access
32 Citations
4,459 Views
14 Pages

5 January 2022

Raw Ca-based montmorillonite (MMT) was treated by H2SO4, calcination and organic compounds (hexadecyltrimethyl ammonium bromide (HTAB), cetylpyridinium chloride (CPC) and chitosan (CTS)), respectively. The modified montmorillonites were characterized...

  • Article
  • Open Access
29 Citations
6,521 Views
18 Pages

Synthesis of High Performance Thiophene–Aromatic Polyesters from Bio-Sourced Organic Acids and Polysaccharide-Derived Diol: Characterization and Degradability Studies

  • Lesly Dasilva Wandji Djouonkep,
  • Arnaud Kamdem Tamo,
  • Ingo Doench,
  • Naomie Beolle Songwe Selabi and ,
  • Emmanuel Monga Ilunga,
  • Arnaud Regis Kamgue Lenwoue,
  • Mario Gauthier,
  • Zhengzai Cheng and
  • Anayancy Osorio-Madrazo
  • + 4 authors+ 0 author

5 January 2022

In this work, the feasibility of replacing petroleum-based poly(ethylene terephthalate) (PET) with fully bio-based copolyesters derived from dimethyl 2,5-thiophenedicarboxylate (DMTD), dimethyl 2,5-dimethoxyterephthalate (DMDMT), and polysaccharide-d...

(This article belongs to the Special Issue Advances in Polysaccharide Materials II)
  • Review
  • Open Access
54 Citations
11,468 Views
85 Pages

5 January 2022

Pyrazole has been recognized as a pharmacologically important privileged scaffold whose derivatives produce almost all types of pharmacological activities and have attracted much attention in the last decades. Of the various pyrazole derivatives repo...

(This article belongs to the Special Issue Designing Next-Generation Drug-Like Molecules for Medicinal Applications)
  • Article
  • Open Access
16 Citations
3,734 Views
15 Pages

4 January 2022

Six novel Ir(C^N)2(L^X)-type heteroleptic iridium complexes with deep-red and near-infrared region (NIR)-emitting coverage were constructed through the cross matching of various cyclometalating (C^N) and ancillary (LX) ligands. Here, three novel C^N...

(This article belongs to the Section Applied Chemistry)
  • Article
  • Open Access
12 Citations
3,899 Views
15 Pages

Simultaneous Enzymatic Cellulose Hydrolysis and Product Separation in a Radial-Flow Membrane Bioreactor

  • Saleha Al-Mardeai,
  • Emad Elnajjar,
  • Raed Hashaikeh,
  • Boguslaw Kruczek and ,
  • Bart Van der Bruggen and
  • Sulaiman Al-Zuhair
  • + 1 author+ 0 author

4 January 2022

Hydrolysis is the heart of the lignocellulose-to-bioethanol conversion process. Using enzymes to catalyze the hydrolysis represents a more environmentally friendly pathway compared to other techniques. However, for the process to be economically feas...

(This article belongs to the Section Green Chemistry)
  • Review
  • Open Access
82 Citations
13,944 Views
22 Pages

Nanostructured Lipid Carriers-Hydrogels System for Drug Delivery: Nanohybrid Technology Perspective

  • Sharifah Nurfadhlin Afifah Syed Azhar,
  • Siti Efliza Ashari,
  • Norhazlin Zainuddin and
  • Masriana Hassan

4 January 2022

Advanced hybrid component development in nanotechnology provides superior functionality in the application of scientific knowledge for the drug delivery industry. The purpose of this paper is to review important nanohybrid perspectives in drug delive...

(This article belongs to the Special Issue Preparation and Applications of Hydrogels)
  • Article
  • Open Access
29 Citations
4,453 Views
15 Pages

4 January 2022

β-Glucosidases (Bgls) convert cellobiose and other soluble cello-oligomers into glucose and play important roles in fundamental biological processes, providing energy sources in living organisms. Bgls are essential terminal enzymes of cellulose...

(This article belongs to the Section Molecular Structure)
  • Review
  • Open Access
12 Citations
4,671 Views
12 Pages

4 January 2022

Drug repurposing is an emerging strategy, which uses already approved drugs for new medical indications. One such drug is gemcitabine, an anticancer drug that only works at high doses since a portion is deactivated in the serum, which causes toxicity...

(This article belongs to the Special Issue Molecules Medicinal Chemistry Reviews)
  • Article
  • Open Access
20 Citations
9,098 Views
21 Pages

In Vitro Anti-Diabetic Activities and UHPLC-ESI-MS/MS Profile of Muntingia calabura Leaves Extract

  • Nur Khaleeda Zulaikha Zolkeflee,
  • Nurul Shazini Ramli,
  • Azrina Azlan and
  • Faridah Abas

4 January 2022

Anti-diabetic compounds from natural sources are now being preferred to prevent or treat diabetes due to adverse effects of synthetic drugs. The decoction of Muntingia calabura leaves was traditionally consumed for diabetes treatment. However, there...

(This article belongs to the Special Issue NMR and Mass Spectrometry in Plant Metabolomics, Compound Isolation and Characterisation)
  • Article
  • Open Access
21 Citations
5,758 Views
20 Pages

An Investigation towards Coupling Molecular Dynamics with Computational Fluid Dynamics for Modelling Polymer Pyrolysis

  • Timothy Bo Yuan Chen,
  • Ivan Miguel De Cachinho Cordeiro,
  • Anthony Chun Yin Yuen,
  • Wei Yang and ,
  • Qing Nian Chan,
  • Jin Zhang,
  • Sherman C. P. Cheung and
  • Guan Heng Yeoh
  • + 3 authors+ 0 author

4 January 2022

Building polymers implemented into building panels and exterior façades have been determined as the major contributor to severe fire incidents, including the 2017 Grenfell Tower fire incident. To gain a deeper understanding of the pyrolysis pr...

(This article belongs to the Special Issue New Prospects in Flame-Retardant Materials)
  • Article
  • Open Access
17 Citations
5,146 Views
12 Pages

Biosynthesis of Poly-(3-hydroxybutyrate) under the Control of an Anaerobically Induced Promoter by Recombinant Escherichia coli from Sucrose

  • Fangting Wu,
  • Ying Zhou,
  • Wenyu Pei,
  • Yuhan Jiang and ,
  • Xiaohui Yan and
  • Hong Wu
  • + 1 author+ 0 author

4 January 2022

Poly-(3-hydroxybutyrate) (PHB) is a polyester with biodegradable and biocompatible characteristics and has many potential applications. To reduce the raw material costs and microbial energy consumption during PHB production, cheaper carbon sources su...

(This article belongs to the Special Issue Microbial Synthesis of Polymers and Polymer Precursors)
  • Article
  • Open Access
32 Citations
5,090 Views
19 Pages

4 January 2022

In vitro anti-proliferative activity of Pinus palustris extract and its purified abietic acid was assessed against different human cancer cell lines (HepG-2, MCF-7 and HCT-116) compared to normal WI-38 cell line. Abietic acid showed more promising IC...

  • Review
  • Open Access
67 Citations
11,391 Views
37 Pages

Putative Anticancer Compounds from Plant-Derived Endophytic Fungi: A Review

  • Md. Hridoy,
  • Md. Zobayer Hossain Gorapi,
  • Sadia Noor,
  • Nargis Sultana Chowdhury and ,
  • Md. Mustafizur Rahman,
  • Isabella Muscari,
  • Francesco Masia,
  • Sabrina Adorisio,
  • Domenico V. Delfino and
  • Md. Abdul Mazid
  • + 5 authors+ 0 author

4 January 2022

Endophytic fungi are microorganisms that exist almost ubiquitously inside the various tissues of living plants where they act as an important reservoir of diverse bioactive compounds. Recently, endophytic fungi have drawn tremendous attention from re...

  • Article
  • Open Access
46 Citations
7,860 Views
20 Pages

4 January 2022

In this study, ultrasound-assisted extraction conditions were optimized to maximize the yields of sennoside A, sennoside B, aloe-emodin, emodin, and chrysophanol from S. alexandrina (aerial parts). The three UAE factors, extraction temperature (S1),...

  • Article
  • Open Access
17 Citations
7,339 Views
16 Pages

Synthesis and In Vitro Study of Antiviral Activity of Glycyrrhizin Nicotinate Derivatives against HIV-1 Pseudoviruses and SARS-CoV-2 Viruses

  • Vladislav V. Fomenko,
  • Nadezhda B. Rudometova,
  • Olga I. Yarovaya,
  • Artem D. Rogachev and ,
  • Anastasia A. Fando,
  • Anna V. Zaykovskaya,
  • Nina I. Komarova,
  • Dmitry N. Shcherbakov,
  • Oleg V. Pyankov and
  • Nariman F. Salakhutdinov
  • + 8 authors+ 3 authors

4 January 2022

When developing drugs against SARS-CoV-2, it is important to consider the characteristics of patients with different co-morbidities. People infected with HIV-1 are a particularly vulnerable group, as they may be at a higher risk than the general popu...

(This article belongs to the Special Issue Novel Natural and Derivative Products: Synthesis and Pharmacological Potential)
  • Review
  • Open Access
17 Citations
6,647 Views
34 Pages

Alternative Targets for Modulators of Mitochondrial Potassium Channels

  • Antoni Wrzosek,
  • Shur Gałecka,
  • Monika Żochowska,
  • Anna Olszewska and
  • Bogusz Kulawiak

4 January 2022

Mitochondrial potassium channels control potassium influx into the mitochondrial matrix and thus regulate mitochondrial membrane potential, volume, respiration, and synthesis of reactive oxygen species (ROS). It has been found that pharmacological ac...

(This article belongs to the Special Issue Compounds Modulating Mitochondrial Ion Channels)
  • Article
  • Open Access
7 Citations
3,414 Views
10 Pages

4 January 2022

In the present study we propose a more promising catalyst for the deNOx process to eliminate harmful nitrogen oxides from the environment. The study was performed with a computer calculation using density functional theory (DFT) based on an ab initio...

(This article belongs to the Special Issue A Commemorative Special Issue Honoring Professor Donald Truhlar)
  • Article
  • Open Access
8 Citations
4,897 Views
18 Pages

4 January 2022

The single electron transistor (SET) is a nanoscale switching device with a simple equivalent circuit. It can work very fast as it is based on the tunneling of single electrons. Its nanostructure contains a quantum dot island whose material impacts o...

(This article belongs to the Special Issue Fullerenes, Graphenes and Carbon Nanotubes Nanocomposites)
  • Article
  • Open Access
2 Citations
3,343 Views
14 Pages

Ab Initio Study of Fine and Hyperfine Interactions in Triplet POH

  • Luca Bizzocchi,
  • Silvia Alessandrini,
  • Mattia Melosso,
  • Víctor M. Rivilla and
  • Cristina Puzzarini

4 January 2022

Phosphorous-containing molecules have a great relevance in prebiotic chemistry in view of the fact that phosphorous is a fundamental constituent of biomolecules, such as RNA, DNA, and ATP. Its biogenic importance has led astrochemists to investigate...

(This article belongs to the Special Issue Reactivity and Properties of Radicals and Radical Ions)
  • Article
  • Open Access
2 Citations
2,764 Views
10 Pages

4 January 2022

A low-temperature spray deposition synthesis was developed to prepare locally hexagonally ordered mesoporous titania films with polycrystalline anatase pore walls in an evaporation-induced self-assembly process. The titania film preparation procedure...

(This article belongs to the Special Issue Ordered Mesoporous Materials: New Developments in Synthesis, Characterization and Applications)
  • Article
  • Open Access
19 Citations
5,107 Views
17 Pages

4 January 2022

Fusarium oxysporum is an aggressive phytopathogen that affects various plant species, resulting in extensive local and global economic losses. Therefore, the search for competent alternatives is a constant pursuit. Quinolizidine alkaloids (QA) are na...

(This article belongs to the Special Issue Chemical Composition and Biological Activity of Essential Oils and Other Extracts: From Extraction to Application)
  • Article
  • Open Access
12 Citations
4,241 Views
17 Pages

Acid-Catalyzed Liquefaction of Biomasses from Poplar Clones for Short Rotation Coppice Cultivations

  • Ivo Paulo,
  • Luis Costa,
  • Abel Rodrigues,
  • Sofia Orišková and ,
  • Sandro Matos,
  • Diogo Gonçalves,
  • Ana Raquel Gonçalves,
  • Luciana Silva,
  • Salomé Vieira and
  • Rui Galhano dos Santos
  • + 6 authors+ 1 author

4 January 2022

Liquefaction of biomass delivers a liquid bio-oil with relevant chemical and energetic applications. In this study we coupled it with short rotation coppice (SRC) intensively managed poplar cultivations aimed at biomass production while safeguarding...

(This article belongs to the Special Issue Sustainable Development and Application of Renewable Chemicals from Biomass and Waste)
  • Article
  • Open Access
42 Citations
5,376 Views
18 Pages

Integrated Metabolomic and Transcriptomic Analysis Reveals Differential Mechanism of Flavonoid Biosynthesis in Two Cultivars of Angelica sinensis

  • Tiantian Zhu,
  • Minghui Zhang,
  • Hongyan Su,
  • Meiling Li and ,
  • Yuanyuan Wang,
  • Ling Jin and
  • Mengfei Li
  • + 2 authors+ 0 author

4 January 2022

Angelica sinensis is a traditional Chinese medicinal plant that has been primarily used as a blood tonic. It largely relies on its bioactive metabolites, which include ferulic acid, volatile oils, polysaccharides and flavonoids. In order to improve t...

(This article belongs to the Special Issue Plant Secondary Metabolites with Health Effects: Discovery and Engineering)
  • Article
  • Open Access
30 Citations
5,155 Views
18 Pages

Characterization of the Volatile Compounds in Camellia oleifera Seed Oil from Different Geographic Origins

  • Jing Wang,
  • Xuxiao Tang,
  • Qiulu Chu,
  • Mengyu Zhang and ,
  • Yingzhong Zhang and
  • Baohua Xu
  • + 1 author+ 0 author

4 January 2022

Volatile flavor of edible oils is an important quality index and factor affecting consumer choice. The purpose of this investigation was to characterize virgin Camellia oleifera seed oil (VCO) samples from different locations in southern China in ter...

  • Article
  • Open Access
4 Citations
3,589 Views
18 Pages

Green Synthesis of Oxoquinoline-1(2H)-Carboxamide as Antiproliferative and Antioxidant Agents: An Experimental and In-Silico Approach to High Altitude Related Disorders

  • Amena Ali,
  • Abuzer Ali,
  • Musarrat Husain Warsi,
  • Mohammad Akhlaquer Rahman and ,
  • Mohamed Jawed Ahsan and
  • Faizul Azam
  • + 1 author+ 0 author

4 January 2022

At high altitudes, drops in oxygen concentration result in the creation of reactive oxygen and nitrogen species (RONS), which cause a variety of health concerns. We addressed these health concerns and reported the synthesis, characterization, and bio...

(This article belongs to the Section Green Chemistry)
  • Article
  • Open Access
3 Citations
7,998 Views
12 Pages

4 January 2022

Pexidartinib is the first drug approved by the U.S. Food and Drug Administration specifically to treat the rare joint tumor tenosynovial giant cell tumor. In the current study, a validated, selective, and sensitive UPLC-MS/MS assay was developed for...

(This article belongs to the Special Issue Method Development and Validation in Food and Pharmaceutical Analysis III)
  • Article
  • Open Access
15 Citations
3,902 Views
15 Pages

4 January 2022

This study investigated the effect of co-ingesting Natal plums (Carissa macrocarpa) and Marula nuts (Sclerocarya birrea) on the bioaccessibility and uptake of anthocyanins, antioxidant capacity, and the ability to inhibit α-glucosidase. A Natal...

(This article belongs to the Special Issue Characterisation of Phenolics in Foods and Beverages and Their Role as Functional Constituents)
  • Article
  • Open Access
3 Citations
3,448 Views
13 Pages

Computational Studies of Coinage Metal Anion M− + CH3X (X = F, Cl, Br, I) Reactions in Gas Phase

  • Fan Wang,
  • Xiaoyan Ji,
  • Fei Ying,
  • Jiatao Zhang and ,
  • Chongyang Zhao and
  • Jing Xie
  • + 1 author+ 0 author

4 January 2022

We characterized the stationary points along the nucleophilic substitution (SN2), oxidative insertion (OI), halogen abstraction (XA), and proton transfer (PT) product channels of M− + CH3X (M = Cu, Ag, Au; X = F, Cl, Br, I) reactions using the...

(This article belongs to the Special Issue Chemical Bonding and Valency: A Special Issue Celebrating the 80th Birthday of Prof. Frank Weinhold)
  • Article
  • Open Access
41 Citations
6,837 Views
15 Pages

Bioactivity and Mycochemical Profile of Extracts from Mycelial Cultures of Ganoderma spp.

  • Katarzyna Sułkowska-Ziaja,
  • Gokhan Zengin,
  • Agnieszka Gunia-Krzyżak,
  • Justyna Popiół and ,
  • Agnieszka Szewczyk,
  • Magdalena Jaszek,
  • Jerzy Rogalski and
  • Bożena Muszyńska
  • + 3 authors+ 0 author

3 January 2022

Fungal mycelium cultures are an alternative to natural sources in order to obtain valuable research materials. They also enable constant control and adaptation of the process, thereby leading to increased biomass growth and accumulation of bioactive...

(This article belongs to the Section Natural Products Chemistry)
  • Feature Paper
  • Review
  • Open Access
90 Citations
11,428 Views
32 Pages

Development of Phenothiazine Hybrids with Potential Medicinal Interest: A Review

  • Marina C. Posso,
  • Fernanda C. Domingues,
  • Susana Ferreira and
  • Samuel Silvestre

3 January 2022

The molecular hybridization approach has been used to develop compounds with improved efficacy by combining two or more pharmacophores of bioactive scaffolds. In this context, hybridization of various relevant pharmacophores with phenothiazine deriva...

(This article belongs to the Special Issue Molecules Medicinal Chemistry Reviews)
  • Article
  • Open Access
6 Citations
5,980 Views
13 Pages

Thermal Shift Assay as a Tool to Evaluate the Release of Breakdown Peptides from Cowpea β-Vignin during Seed Germination

  • Stefano De Benedetti,
  • Camilla Leogrande,
  • Francesco Castagna,
  • Giuditta C. Heinzl and ,
  • Matias Pasquali,
  • Alessandro L. Heinzl,
  • Daniela Lupi and
  • Alessio Scarafoni
  • + 3 authors+ 0 author

3 January 2022

The present work aimed to characterize the molecular relationships between structure and function of the seed storage protein β-vignin, the vicilin storage protein of cowpea (Vigna unguiculata, l. Walp) seeds. The molecular characterization of &...

(This article belongs to the Special Issue Chemical and Functional Properties of Food Proteins)
  • Article
  • Open Access
1 Citations
2,620 Views
17 Pages

3 January 2022

The effect of substitution on intermolecular interactions was investigated in a series of 1,6-anhydro-2,3-epimino-hexopyranoses. The study focused on the qualitative evaluation of intermolecular interactions using DFT calculations and the comparison...

(This article belongs to the Special Issue Intermolecular Interactions in Crystal Lattice)
  • Article
  • Open Access
  • Best Paper Award
95 Citations
7,396 Views
17 Pages

3 January 2022

FT-Raman, FTIR, and SERS spectra of the structurally related gallnut polyphenols tannic acid, gallic acid, pyrogallol, and syringic acid are reported in this work aiming at performing a comparative assignation of the bands and finding specific marker...

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Molecules - ISSN 1420-3049