Molecules, Vol. 25, Pages 4934: Engineered Zero-Dimensional Fullerene/Carbon Dots-Polymer Based Nanocomposite Membranes for Wastewater Treatment
ng Ni With the rapid growth of industrialization, diverse pollutants produced as by-products are emitted to the air-water ecosystem, and toxic contamination of water is one of the most hazardous environmental issues. Various forms of carbon have been used for adsorption, electrochemical, and ion-exchange membrane filtration to separation processes for water treatment. The utilization of carbon materials has gained tremendous attention as they have exceptional properties such as chemical, mechanical, thermal, antibacterial activities, along with reinforcement capability and high thermal stability, that helps to maintain...
Source: Molecules - October 26, 2020 Category: Chemistry Authors: Mona Jani Jose A. Arcos-Pareja Ming Ni Tags: Review Source Type: research

Molecules, Vol. 25, Pages 4935: Anti-Obesity Attributes; UHPLC-QTOF-MS/MS-Based Metabolite Profiling and Molecular Docking Insights of Taraxacum officinale
Nazamid Saari The naturopathic treatment of obesity is a matter of keen interest to develop efficient natural pharmacological routes for disease management with low or negligible toxicity and side effects. For this purpose, optimized ultrasonicated hydroethanolic extracts of Taraxacum officinale were evaluated for antiobesity attributes. The 2,2-diphenyl-1-picrylhydrazyl method was adopted to evaluate antioxidant potential. Porcine pancreatic lipase inhibitory assay was conducted to assess the in vitro antiobesity property. Ultra-high performance chromatography equipped with a mass spectrometer was utilized to profile ...
Source: Molecules - October 26, 2020 Category: Chemistry Authors: Zain Ul Aabideen Muhammad Waseem Mumtaz Muhammad Tayyab Akhtar Hamid Mukhtar Syed Ali Raza Tooba Touqeer Nazamid Saari Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4937: Small Molecules Targeting Biological Clock; A Novel Prospective for Anti-Cancer Drugs
va-Car The circadian rhythms are an intrinsic timekeeping system that regulates numerous physiological, biochemical, and behavioral processes at intervals of approximately 24 h. By regulating such processes, the circadian rhythm allows organisms to anticipate and adapt to continuously changing environmental conditions. A growing body of evidence shows that disruptions to the circadian rhythm can lead to various disorders, including cancer. Recently, crucial knowledge has arisen regarding the essential features that underlie the overt circadian rhythm and its influence on physiological outputs. This knowledge suggests t...
Source: Molecules - October 26, 2020 Category: Chemistry Authors: Sadia Rahman Karlo Wittine Mirela Sedi ć Elitza P. Markova-Car Tags: Review Source Type: research

Molecules, Vol. 25, Pages 4936: Effects of Modifying Thioflavin T at the N3-Position on Its G4 Binding and Fluorescence Emission
In this study, to investigate the effects of introduced substituents on G4 binding and fluorescence emission, a ThT derivative in which the hydroxyl group of ThT-HE was replaced with an amino group (ThT-AE) was synthesized for the first time. Furthermore, three other N3-modified ThT derivatives (ThT-OE2, ThT-SP, and ThT-OE11) having different substituent structures were synthesized by the N-acylation of the terminal amino group of ThT-AE, and their G4-binding and emission properties were investigated. The results showed that, although ThT-AE shows binding selectivity depending on the type of G4, its emission intensity is s...
Source: Molecules - October 26, 2020 Category: Chemistry Authors: Yuka Kataoka Hiroto Fujita Tamaki Endoh Naoki Sugimoto Masayasu Kuwahara Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4938: Ruthenium(IV) Complexes as Potential Inhibitors of Bacterial Biofilm Formation
In this study, we have investigated the possibility of utilizing ruthenium(IV) complexes (H3O)2(HL1)2[RuCl6]·2Cl·2EtOH (1) and [RuCl4(CH3CN)2](L32)·H2O (2) (where L1-2-hydroxymethylbenzimadazole, L32-1,4-dihydroquinoxaline-2,3-dione) as effective inhibitors for biofilms formation. The biological activities of the compounds were explored using E. coli, S. aureus, P. aeruginosa PAO1, and P. aeruginosa LES B58. The new chloride ruthenium complexes were characterized by single-crystal X-ray diffraction analysis, Hirshfeld surface analysis, FT-IR, UV-Vis, magnetic and electrochemical...
Source: Molecules - October 26, 2020 Category: Chemistry Authors: Agnieszka Jab łońska-Wawrzycka Patrycja Rogala Grzegorz Czerwonka S ławomir Michałkiewicz Maciej Hodorowicz Pawe ł Kowalczyk Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4939: β-Caryophyllene: A Single Volatile Component of n-Hexane Extract of Dracaena cinnabari Resin
Molecules, Vol. 25, Pages 4939: β-Caryophyllene: A Single Volatile Component of n-Hexane Extract of Dracaena cinnabari Resin Molecules doi: 10.3390/molecules25214939 Authors: Mohamed Al-Fatimi The pure Soqotri resin of Dracaena cinnabari Balf.f. (Dracaenaceae) has no volatile smell due to its low content of volatile constituents. Although it is insoluble in n-hexane, we found that the resin, when suspended in n-hexane within five days at 5 °C, led to the extraction of a small portion of a single volatile liquid constituent, which was identified by GC-MS as sesquiterpene β-caryophyllene...
Source: Molecules - October 26, 2020 Category: Chemistry Authors: Mohamed Al-Fatimi Tags: Communication Source Type: research

Molecules, Vol. 25, Pages 4940: Synthetic Makaluvamine Analogs Decrease c-Kit Expression and Are Cytotoxic to Neuroendocrine Tumor Cells
a Jaskula-Sztul In an effort to discover viable systemic chemotherapeutic agents for neuroendocrine tumors (NETs), we screened a small library of 18 drug-like compounds obtained from the Velu lab against pulmonary (H727) and thyroid (MZ-CRC-1 and TT) neuroendocrine tumor-derived cell lines. Two potent lead compounds (DHN-II-84 and DHN-III-14) identified from this screening were found to be analogs of the natural product makaluvamine. We further characterized the antitumor activities of these two compounds using pulmonary (H727), thyroid (MZ-CRC-1) and pancreatic (BON) neuroendocrine tumor cell lines. Flow cytometry sho...
Source: Molecules - October 26, 2020 Category: Chemistry Authors: Zviadi Aburjania Jason D. Whitt Samuel Jang Dwayaja H. Nadkarni Herbert Chen J. Bart Rose Sadanandan E. Velu Renata Jaskula-Sztul Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4930: A Critical Review of the Role of the Cannabinoid Compounds Δ9-Tetrahydrocannabinol (Δ9-THC) and Cannabidiol (CBD) and their Combination in Multiple Sclerosis Treatment
Molecules, Vol. 25, Pages 4930: A Critical Review of the Role of the Cannabinoid Compounds Δ9-Tetrahydrocannabinol (Δ9-THC) and Cannabidiol (CBD) and their Combination in Multiple Sclerosis Treatment Molecules doi: 10.3390/molecules25214930 Authors: Éamon Jones Styliani Vlachou Many people with MS (pwMS) use unregulated cannabis or cannabis products to treat the symptoms associated with the disease. In line with this, Sativex, a synthetic combination of cannabidiol (CBD) and Δ9-tetrahydrocannabinol (Δ9-THC) has been approved to treat symptoms of spasticity. In animal...
Source: Molecules - October 25, 2020 Category: Chemistry Authors: Éamon Jones Styliani Vlachou Tags: Review Source Type: research

Molecules, Vol. 25, Pages 4931: New Fluorene Derivatives from Dendrobium gibsonii and Their α-Glucosidase Inhibitory Activity
Molecules, Vol. 25, Pages 4931: New Fluorene Derivatives from Dendrobium gibsonii and Their α-Glucosidase Inhibitory Activity Molecules doi: 10.3390/molecules25214931 Authors: May Thazin Thant Nutputsorn Chatsumpun Wanwimon Mekboonsonglarp Boonchoo Sritularak Kittisak Likhitwitayawuid Two new compounds, dihydrodengibsinin (1) and dendrogibsol (2), were isolated from the whole plant of Dendrobium gibsonii, together with seven known compounds (3–9). The structures of the new compounds were elucidated by their spectroscopic data. All these isolates were evaluated for their α-g...
Source: Molecules - October 25, 2020 Category: Chemistry Authors: May Thazin Thant Nutputsorn Chatsumpun Wanwimon Mekboonsonglarp Boonchoo Sritularak Kittisak Likhitwitayawuid Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4932: Development and Greenness Evaluation of Spectrofluorometric Methods for Flibanserin Determination in Dosage Form and Human Urine Samples
lah Green, economic and sensitive two spectrofluorometric methods were developed for the quantitation of flibanserin (FB) in different matrices, which are based on FB native fluorescence properties. The first technique depends on measuring the relative fluorescence intensity of FB directly at emission and excitation wavelengths(λem/λex) (371 nm/247 nm), while the second technique is a first derivative (D1) spectrofluorometric method, which depends on measuring the peak amplitudes at 351 nm. Linear regressions were observed in the range of 0.1–1.5 μg/mL for both methods. Moreover, both methods wer...
Source: Molecules - October 25, 2020 Category: Chemistry Authors: Rasha Ahmed Inas Abdallah Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4933: Hybrid Polymer Composites of Bio-Based Bast Fibers with Glass, Carbon and Basalt Fibers for Automotive Applications —A Review
Molecules, Vol. 25, Pages 4933: Hybrid Polymer Composites of Bio-Based Bast Fibers with Glass, Carbon and Basalt Fibers for Automotive Applications—A Review Molecules doi: 10.3390/molecules25214933 Authors: Anjum Saleem Luisa Medina Mikael Skrifvars Lena Berglin Composites with reinforcements based on bast fibers such as flax, hemp and kenaf offer many advantages such as weight reduction, improved specific impact, flexural, acoustic properties, and balanced performance to cost that can be achieved by properly designing the material composition. Their position is well established, especially in the nonst...
Source: Molecules - October 25, 2020 Category: Chemistry Authors: Anjum Saleem Luisa Medina Mikael Skrifvars Lena Berglin Tags: Review Source Type: research

Molecules, Vol. 25, Pages 4928: Photophysical Properties of Donor-Acceptor Stenhouse Adducts and Their Inclusion Complexes with Cyclodextrins and Cucurbit[7]uril
Wagner Donor-acceptor Stenhouse adducts (DASAs) are a novel class of solvatochromic photoswitches with increasing importance in photochemistry. Known for their reversibility between open triene and closed cyclized states, these push-pull molecules are applicable in a suite of light-controlled applications. Recent works have sought to understand the DASA photoswitching mechanism and reactive state, as DASAs are vulnerable to irreversible “dark switching” in polar protic solvents. Despite the utility of fluorescence spectroscopy for providing information regarding the electronic structure of ...
Source: Molecules - October 24, 2020 Category: Chemistry Authors: Liam Payne Jason D. Josephson R. Scott Murphy Brian D. Wagner Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4929: Silk Fibroin-Based Materials for Catalyst Immobilization
v Silk fibroin is a widely and commercially available natural protein derived from silkworm cocoons. Thanks to its unique amino acid composition and structure, which lead to localized nanoscale pockets with limited but sufficient hydration for protein interaction and stabilization, silk fibroin has been studied in the field of enzyme immobilization. Results of these studies have demonstrated that silk fibroin offers an important platform for covalent and noncovalent immobilization of enzymes through serving as a stabilization matrix/support with high retention of the biological activity of the enzymes of interest. In t...
Source: Molecules - October 24, 2020 Category: Chemistry Authors: Shanshan Lv Tags: Review Source Type: research

Molecules, Vol. 25, Pages 4920: Label-Free Proteomics Reveals the Molecular Mechanism of Subculture Induced Strain Degeneration and Discovery of Indicative Index for Degeneration in Pleurotus ostreatus
Chai Yongming Bao Pleurotus ostreatus is one of the widely cultivated edible fungi across the world. Mycelial subculture is an indispensable part in the process of cultivation and production for all kinds of edible fungi. However, successive subcultures usually lead to strain degeneration. The degenerated strains usually have a decrease in stress resistance, yield, and an alteration in fruiting time, which will subsequently result in tremendous economic loss. Through proteomic analysis, we identified the differentially expressed proteins (DEPs) in the mycelium of Pleurotus ostreatus from different subcultured generat...
Source: Molecules - October 24, 2020 Category: Chemistry Authors: Weiwei Zhu Jinbo Hu Jingliang Chi Yang Li Bing Yang Wenli Hu Fei Chen Chong Xu Linshan Chai Yongming Bao Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4921: Biocatalytic Strategy for Grafting Natural Lignin with Aniline
sile Parvulescu This paper presents an enzyme biocatalytic method for grafting lignin (grafting bioprocess) with aniline, leading to an amino-derivatized polymeric product with modified properties (e.g., conductivity, acidity/basicity, thermostability and amino-functionalization). Peroxidase enzyme was used as a biocatalyst and H2O2 was used as an oxidation reagent, while the oxidative insertion of aniline into the lignin structure followed a radical mechanism specific for the peroxidase enzyme. The grafting bioprocess was tested in different configurations by varying the source of peroxidase, enzyme concentration and ...
Source: Molecules - October 24, 2020 Category: Chemistry Authors: Sabina Gabriela Ion Teodor Brudiu Anamaria Hanganu Florentina Munteanu Madalin Enache Gabriel-Mihai Maria Madalina Tudorache Vasile Parvulescu Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4922: Magnetism, Conductivity and Spin-Spin Interactions in Layered Hybrid Structure of Anionic Radicals [Ni(dmit)2] Alternated by Iron(III) Spin-Crossover Complex [Fe(III)(3-OMe-Sal2trien)] and Ferric Moiety Precursors
In this study, crystals of the hybrid layered structure, combined with Fe(III) Spin-Crossover (SCO) complexes with metal-dithiolate anionic radicals, and the precursors with nitrate and iodine counterions, are obtained and characterized. [Fe(III)(3-OMe-Sal2trien)][Ni(dmit)2] (1), [Fe(III)(3-OMe-Sal2trien)]NO3·H2O (2), [Fe(III)(3-OMe-Sal2trien)]I (3) (3-OMe-Sal2trien = hexadentate N4O2 Schiff base is the product of the condensation of triethylenetetramine with 3-methoxysalicylaldehyde; H2dmit = 2-thioxo-1,3-dithiole-4,5-dithiol). Bulk SCO transition was not achieved in the range 2.0–350 K for al...
Source: Molecules - October 24, 2020 Category: Chemistry Authors: Yuri N. Shvachko Nataliya G. Spitsyna Denis V. Starichenko Vladimir N. Zverev Leokadiya V. Zorina Sergey V. Simonov Maksim A. Blagov Eduard B. Yagubskii Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4923: Chemical Profile and Use of the Peat as an Adsorbent for Extraction of Volatile Compounds from Leaves of Geranium (Pelargonium graveolens L ’ Herit)
Molecules, Vol. 25, Pages 4923: Chemical Profile and Use of the Peat as an Adsorbent for Extraction of Volatile Compounds from Leaves of Geranium (Pelargonium graveolens L’ Herit) Molecules doi: 10.3390/molecules25214923 Authors: Edenilson dos Santos Niculau Péricles Barreto Alves Paulo Cesar de Lima Nogueira Luciane Pimenta Cruz Romão Graziele da Costa Cunha Arie Fitzgerald Blank Anderson de Carvalho Silva Volatile organic compounds (VOCs) from leaves of geranium (Pelargonium graveolens L’ Herit) were extracted by dynamic headspace using Porapak Q (HSD-P) as adsorbent ...
Source: Molecules - October 24, 2020 Category: Chemistry Authors: Edenilson dos Santos Niculau P éricles Barreto Alves Paulo Cesar de Lima Nogueira Luciane Pimenta Cruz Rom ão Graziele da Costa Cunha Arie Fitzgerald Blank Anderson de Carvalho Silva Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4924: Nutrients Supplementation through Organic Manures Influence the Growth of Weeds and Maize Productivity
umi Saneoka Ayman EL Sabagh Declining rate of productivity and environmental sustainability is forcing growers to use organic manures as a source of nutrient supplement in maize farming. However, weed is a major constraint to maize production. A field study was carried out over two seasons to evaluate various integrated nutrient and weed management practices in hybrid maize. The treatment combinations comprised of supplementation of inorganic fertilizer (25% nitrogen) through bulky (Farmyard manure and vermicompost) and concentrated (Brassicaceous seed meal (BSM) and neem cake (NC)) organic manures and different mode...
Source: Molecules - October 24, 2020 Category: Chemistry Authors: Dibakar Ghosh Koushik Brahmachari Milan Skalicky Akbar Hossain Sukamal Sarkar Nirmal Kumar Dinda Anupam Das Biswajit Pramanick Debojyoti Moulick Marian Brestic Muhammad Ali Raza Celaleddin Barutcular Shah Fahad Hirofumi Saneoka Ayman EL Sabagh Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4925: Drying Techniques and Storage: Do They Affect the Nutritional Value of Bee-Collected Pollen?
In this study, the effect of different drying processes (freeze-drying (FD), microwave-assisted drying (MWD) and classic hot air drying (HAD)) on the polyphenols, flavonoids, and amino acids content was investigated on bee-collected chestnut, willow and ivy pollen for human consumption. Furthermore, the pollen chemical properties were monitored after three and six months of storage, and then analyzed using a multivariate approach. Chestnut pollen was the richest source of polyphenols, flavonoids, and rutin, while ivy pollen contained the highest amount of total and free amino acids, and total and free proline. Drying and s...
Source: Molecules - October 24, 2020 Category: Chemistry Authors: Antonella Castagna Giovanni Benelli Giuseppe Conte Cristina Sgherri Francesca Signorini Cristiano Nicolella Annamaria Ranieri Angelo Canale Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4926: Attenuation of Nrf2/Keap1/ARE in Alzheimer ’s Disease by Plant Secondary Metabolites: A Mechanistic Review
Molecules, Vol. 25, Pages 4926: Attenuation of Nrf2/Keap1/ARE in Alzheimer’s Disease by Plant Secondary Metabolites: A Mechanistic Review Molecules doi: 10.3390/molecules25214926 Authors: Sajad Fakhri Mirko Pesce Antonia Patruno Seyed Zachariah Moradi Amin Iranpanah Mohammad Hosein Farzaei Eduardo Sobarzo-Sánchez Alzheimer’s disease (AD) is a progressive neuronal/cognitional dysfunction, leading to disability and death. Despite advances in revealing the pathophysiological mechanisms behind AD, no effective treatment has yet been provided. It urges the need for finding novel mu...
Source: Molecules - October 24, 2020 Category: Chemistry Authors: Sajad Fakhri Mirko Pesce Antonia Patruno Seyed Zachariah Moradi Amin Iranpanah Mohammad Hosein Farzaei Eduardo Sobarzo-S ánchez Tags: Review Source Type: research

Molecules, Vol. 25, Pages 4927: Modeling of the Production of Lipid Microparticles Using PGSS ® Technique
Molecules, Vol. 25, Pages 4927: Modeling of the Production of Lipid Microparticles Using PGSS® Technique Molecules doi: 10.3390/molecules25214927 Authors: López-Iglesias López Fernández Landin García-González Solid lipid microparticles (SLMPs) are attractive carriers as delivery systems as they are stable, easy to manufacture and can provide controlled release of bioactive agents and increase their efficacy and/or safety. Particles from Gas-Saturated Solutions (PGSS®) technique is a solvent-free technology to produce SLMPs, which involves the use of su...
Source: Molecules - October 24, 2020 Category: Chemistry Authors: L ópez-Iglesias L ópez Fern ández Landin Garc ía-González Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4901: Biosynthesis and Biological Activities of Newly Discovered Amaryllidaceae Alkaloids
agné-Penix Alkaloids are an important group of specialized nitrogen metabolites with a wide range of biochemical and pharmacological effects. Since the first publication on lycorine in 1877, more than 650 alkaloids have been extracted from Amaryllidaceae bulbous plants and clustered together as the Amaryllidaceae alkaloids (AAs) family. AAs are specifically remarkable for their diverse pharmaceutical properties, as exemplified by the success of galantamine used to treat the symptoms of Alzheimer’s disease. This review addresses the isolation, biological, and structure activity of AAs discovered fro...
Source: Molecules - October 23, 2020 Category: Chemistry Authors: Seydou Ka Manoj Koirala Natacha M érindol Isabel Desgagn é-Penix Tags: Review Source Type: research

Molecules, Vol. 25, Pages 4903: Total Synthesis of Cyclopiamide A Using Palladium-Catalyzed Domino Cyclization
g Seo Total synthesis of cyclopiamide A was accomplished using a palladium-catalyzed domino cyclization. Three rings in the tetracyclic skeleton of cyclopiamide A were constructed in a one-step domino reaction incorporating double carbopalladation and C-H activation. (Source: Molecules)
Source: Molecules - October 23, 2020 Category: Chemistry Authors: Sunhwa Park Kye Jung Shin Jae Hong Seo Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4905: Anti-Angiogenic Properties of Ginsenoside Rg3
Hardingham Ginsenoside Rg3 (Rg3) is a member of the ginsenoside family of chemicals extracted from Panax ginseng. Like other ginsenosides, Rg3 has two epimers: 20(S)-ginsenoside Rg3 (SRg3) and 20(R)-ginsenoside Rg3 (RRg3). Rg3 is an intriguing molecule due to its anti-cancer properties. One facet of the anti-cancer properties of Rg3 is the anti-angiogenic action. This review describes the controversies on the effects and effective dose range of Rg3, summarizes the evidence on the efficacy of Rg3 on angiogenesis, and raises the possibility that Rg3 is a prodrug. (Source: Molecules)
Source: Molecules - October 23, 2020 Category: Chemistry Authors: Nakhjavani Smith Townsend Price Hardingham Tags: Review Source Type: research

Molecules, Vol. 25, Pages 4904: Computational Studies towards the Identification of Novel Rhodopsin-Binding Compounds as Chemical Chaperones for Misfolded Opsins
Ferla Marcella Bassetto Accumulation of misfolded and mistrafficked rhodopsin on the endoplasmic reticulum of photoreceptor cells has a pivotal role in the pathogenesis of retinitis pigmentosa and a subset of Leber’s congenital amaurosis. One potential strategy to reduce rhodopsin misfolding and aggregation in these conditions is to use opsin-binding compounds as chemical chaperones for opsin. Such molecules have previously shown the ability to aid rhodopsin folding and proper trafficking to the outer cell membranes of photoreceptors. As means to identify novel chemical chaperones for rhodopsin, a struc...
Source: Molecules - October 23, 2020 Category: Chemistry Authors: Gaia Pasqualetto Martin Schepelmann Carmine Varricchio Elisa Pileggi Caroline Khogali Si ân R. Morgan Ian Boostrom Malgorzata Rozanowska Andrea Brancale Salvatore Ferla Marcella Bassetto Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4906: Recent Advances in Palladium-Catalyzed Isocyanide Insertions
ano V. A. Orru Isocyanides have long been known as versatile chemical reagents in organic synthesis. Their ambivalent nature also allows them to function as a CO-substitute in palladium-catalyzed cross couplings. Over the past decades, isocyanides have emerged as practical and versatile C1 building blocks, whose inherent N-substitution allows for the rapid incorporation of nitrogeneous fragments in a wide variety of products. Recent developments in palladium catalyzed isocyanide insertion reactions have significantly expanded the scope and applicability of these imidoylative cross-couplings. This review highlights the ...
Source: Molecules - October 23, 2020 Category: Chemistry Authors: Jurri ën W. Collet Thomas R. Roose Bram Weijers Bert U. W. Maes Eelco Ruijter Romano V. A. Orru Tags: Review Source Type: research

Molecules, Vol. 25, Pages 4908: Structural Aspects of the Ortho Chloro- and Fluoro- Substituted Benzoic Acids: Implications on Chemical Properties
This article presents a detailed comprehensive investigation of the ortho fluoro- and chloro- substituted benzoic acids both, as isolated molecules and in the crystalline phase. Quantum chemical calculations performed within the density functional theory (DFT) formalism are used to investigate the potential energy landscapes of the molecules, taking into special consideration the effects of the interactions between the carboxylic group and the ortho halogen substituents, as well as the nature of these later on the structure and properties of the investigated systems. The structures of the relevant conformers of the molecul...
Source: Molecules - October 23, 2020 Category: Chemistry Authors: Gulce Ogruc Ildiz Rui Fausto Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4907: New Advances in the Synthetic Application of Enantiomeric 1-Phenylethylamine ( α-PEA): Privileged Chiral Inducer and Auxiliary
Molecules, Vol. 25, Pages 4907: New Advances in the Synthetic Application of Enantiomeric 1-Phenylethylamine (α-PEA): Privileged Chiral Inducer and Auxiliary Molecules doi: 10.3390/molecules25214907 Authors: Marzena Wosińska-Hrydczuk Jacek Skarżewski New developments in the synthesis, resolution, and synthetic applications of chiral 1-phenylethylamine (α-PEA) reported in the last decade have been reviewed. In particular, improvements in the synthesis of α-PEA and its derivatives and chiral resolution, as well as their applications in the resolution of other compounds, were disc...
Source: Molecules - October 23, 2020 Category: Chemistry Authors: Marzena Wosi ńska-Hrydczuk Jacek Skar żewski Tags: Review Source Type: research

Molecules, Vol. 25, Pages 4910: Tannin-Based Hybrid Materials and Their Applications: A Review
Nicola Hüsing Tannins are eco-friendly, bio-sourced, natural, and highly reactive polyphenols. In the past decades, the understanding of their versatile properties has grown substantially alongside a continuously broadening of the tannins’ application scope. In particular, recently, tannins have been increasingly investigated for their interaction with other species in order to obtain tannin-based hybrid systems that feature advanced and/or novel properties. Furthermore, in virtue of the tannins’ chemistry and their high reactivity, they either physicochemically or physically interac...
Source: Molecules - October 23, 2020 Category: Chemistry Authors: Ann-Kathrin Koopmann Christian Schuster Jorge Torres-Rodr íguez Stefan Kain Heidi Pertl-Obermeyer Alexander Petutschnigg Nicola H üsing Tags: Review Source Type: research

Molecules, Vol. 25, Pages 4911: Application of NF Polymeric Membranes for Removal of Multicomponent Heat-Stable Salts (HSS) Ions from Methyl Diethanolamine (MDEA) Solutions
This study presents an efficient and scalable process for removing the heat-stable salts (HSS) ions from amine solution while recovering methyl diethanolamine (MDEA) solution for its reuse in gas sweetening plants. The presence of HSS in the amine solution causes the loss of solvent capacity, foaming, fouling, and corrosion in gas sweetening units so their removal is crucial for a more well-performing process. Furthermore, the recovery of the amine solution can make the sweetening step a more sustainable process. In this study, for the first time, the removal of a multicomponent mixture of HSS from MDEA solution was invest...
Source: Molecules - October 23, 2020 Category: Chemistry Authors: Asma Ghorbani Behrouz Bayati Teresa Poerio Pietro Argurio Tavan Kikhavani Marzieh Namdari Lic ínio M. Ferreira Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4912: Biotechnological Transformation of Hydrocortisone into 16 α-Hydroxyprednisolone by Coupling Arthrobacter simplex and Streptomyces roseochromogenes
In this study we tested, for the first time, potential approaches to couple the two reactions using similar pH and temperature conditions for hydrocortisone bioconversion by the two strains. The A. simplex capability to 1,2-dehydrogenate the 16α-hydroxyhydrocortisone, the product of S. roseochromogenes transformation of hydrocortisone, and vice versa the capability of S. roseochromogenes to 16α-hydroxylate the prednisolone were assessed. Bioconversions were studied in shake flasks and strain morphology changes were observed by SEM. Whole cell experiments were set up to perform the two reactions ...
Source: Molecules - October 23, 2020 Category: Chemistry Authors: Odile Francesca Restaino Simona Barbuto Ferraiuolo Addolorata Perna Marcella Cammarota Maria Giovanna Borzacchiello Antonio Fiorentino Chiara Schiraldi Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4909: Controlling Particle Morphology and Pore Size in the Synthesis of Ordered Mesoporous Materials
íaz Ordered mesoporous materials have attracted considerable attention due to their potential applications in catalysis, adsorption, and separation technologies, as well as biomedical applications. In the present manuscript, we aim at a rational design to obtain the desired surface functionality (Ti and/or hydrophobic groups) while obtaining short channels (short diffusion paths) and large pore size (>10 nm). Santa Barbara Amorphous material SBA-15 and periodic mesoporous organosilica PMO materials are synthesized using Pluronic PE 10400 (P104) surfactant under mild acidic conditions to obtain hexagon...
Source: Molecules - October 23, 2020 Category: Chemistry Authors: Yaregal Awoke Yonas Chebude Isabel D íaz Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4913: Constituents of Xerolekia speciosissima (L.) Anderb. (Inuleae), and Anti-Inflammatory Activity of 7,10-Diisobutyryloxy-8,9-epoxythymyl Isobutyrate
jakowska Xerolekia speciosissima (L.) Anderb., a rare plant from the north of Italy, is a member of the Inuleae-Inulinae subtribe of the Asteraceae. Despite its close taxonomic relationship with many species possessing medicinal properties, the chemical composition of the plant has remained unknown until now. A hydroalcoholic extract from the aerial parts of X. speciosissima was analyzed by HPLC-DAD-MSn, revealing the presence of caffeic acid derivatives and flavonoids. In all, 19 compounds, including commonly found chlorogenic acids and less frequently occurring butyryl and methylbutyryl conjugates of dicaffeoylquinic...
Source: Molecules - October 23, 2020 Category: Chemistry Authors: Natalia K łeczek Janusz Malarz Barbara Gierlikowska Anna K. Kiss Anna Stojakowska Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4914: Isolation and Characterization of Phenylpropanoid and Lignan Compounds from Peperomia pellucida [L.] Kunth with Estrogenic Activities
Ketut Adnyana Extracts of Peperomia pellucida [L.] Kunth have previously been demonstrated to have in vivo estrogenic-like effects, thereby functioning as an anti-osteoporotic agent. However, the compounds responsible for these effects have not yet been determined. Therefore, the aim of this study is to isolate and elucidate potential compounds with estrogenic activity. The structures of the isolated compounds were identified using 1D 1H and 13C-NMR and confirmed by 2D FT-NMR. The estrogenic activity was evaluated using the E-SCREEN assay, and a molecular docking study was performed to predict the binding affinity of t...
Source: Molecules - October 23, 2020 Category: Chemistry Authors: I Gusti Agung Ayu Kartika In Jae Bang Catur Riani Muhamad Insanu Jong Hwan Kwak Kyu Hyuck Chung I Ketut Adnyana Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4915: Application of Ionic Liquids for Chemical Demulsification: A Review
In this study, emulsion formation and types, chemical demulsification system, the application of ionic liquids as a chemical demulsifier, and key factors affecting their performance were comprehensively reviewed. Future challenges and opportunities of ionic liquids application for chemical demulsification were also discussed. The review indicted that the demulsification performance was affected by the type, molecular weight, and concentration of ionic liquids. Moreover, other factors, including the salinity of aqueous phase, temperature, and oil types, could affect the demulsification process. It can be concluded that ioni...
Source: Molecules - October 23, 2020 Category: Chemistry Authors: Nahid Hassanshahi Guangji Hu Jianbing Li Tags: Review Source Type: research

Molecules, Vol. 25, Pages 4916: Extremophilic Microorganisms for the Treatment of Toxic Pollutants in the Environment
Choi As concerns about the substantial effect of various hazardous toxic pollutants on the environment and public health are increasing, the development of effective and sustainable treatment methods is urgently needed. In particular, the remediation of toxic components such as radioactive waste, toxic heavy metals, and other harmful substances under extreme conditions is quite difficult due to their restricted accessibility. Thus, novel treatment methods for the removal of toxic pollutants using extremophilic microorganisms that can thrive under extreme conditions have been investigated during the past several decades...
Source: Molecules - October 23, 2020 Category: Chemistry Authors: Jeong Choi Tags: Review Source Type: research

Molecules, Vol. 25, Pages 4917: Catechol-Type Flavonoids from the Branches of Elaeagnus glabra f. oxyphylla Exert Antioxidant Activity and an Inhibitory Effect on Amyloid- β Aggregation
Molecules, Vol. 25, Pages 4917: Catechol-Type Flavonoids from the Branches of Elaeagnus glabra f. oxyphylla Exert Antioxidant Activity and an Inhibitory Effect on Amyloid-β Aggregation Molecules doi: 10.3390/molecules25214917 Authors: Yu Jin Kim Eunjin Sohn Joo-Hwan Kim MinKyun Na Soo-Jin Jeong Elaeagnus glabra f. oxyphylla (Elaeagnaceae) is a small evergreen tree with narrow lanceolate leaves that is native to Korea. In this work, we studied the chemical composition of E. glabra f. oxyphylla branches (EGFOB) for the first time. Additionally, we evaluated the effects of the ethanol extract of EGFOB and...
Source: Molecules - October 23, 2020 Category: Chemistry Authors: Yu Jin Kim Eunjin Sohn Joo-Hwan Kim MinKyun Na Soo-Jin Jeong Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4918: Raman Spectroscopy as Molybdenum and Tungsten Content Analysis Tool for Mesoporous Silica and Beta Zeolite Catalysts
te; Miguel Hidalgo-Herrador Raman spectroscopy was used for the quantitative determination of Mo and W in Mo- and W-supported mesoporous silica (Mo/SBA-15 and W/SBA-15, respectively) and Mo-supported beta zeolite (Mo-BEA). Three Raman quantitative models were developed and optimized for the metal contents of Mo/SBA-15, W/SBA-15, and Mo/BEA. Subsequently, the models were characterized using the root mean square error of calibration (RMSEC), root mean square error of cross-validation (RMSECV), root mean square error of prediction (RMSEP), correlation coefficient, and predicted residual error sum of squares (PRESS) diagno...
Source: Molecules - October 23, 2020 Category: Chemistry Authors: Romana Velvarsk á Zden ěk Tišler Veronika Raichlov á Jos é Miguel Hidalgo-Herrador Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4919: Crosslinking of Polylactide by High Energy Irradiation and Photo-Curing
bisa Polylactide (PLA) is presently the most studied bioderived polymer because, in addition to its established position as a material for biomedical applications, it can replace mass production plastics from petroleum. However, some drawbacks of polylactide such as insufficient mechanical properties at a higher temperature and poor shape stability have to be overcome. One of the methods of mechanical and thermal properties modification is crosslinking which can be achieved by different approaches, both at the stage of PLA-based materials synthesis and by physical modification of neat polylactide. This review covers PL...
Source: Molecules - October 23, 2020 Category: Chemistry Authors: Melania Bednarek Katarina Borska Przemys ław Kubisa Tags: Review Source Type: research

Molecules, Vol. 25, Pages 4895: Anti-neoplastic Potential of Flavonoids and Polysaccharide Phytochemicals in Glioblastoma
har Clinically, gliomas are classified into four grades, with grade IV glioblastoma multiforme being the most malignant and deadly, which accounts for 50% of all gliomas. Characteristically, glioblastoma involves the aggressive proliferation of cells and invasion of normal brain tissue, outcomes as poor patient prognosis. With the current standard therapy of glioblastoma; surgical resection and radiotherapy followed by adjuvant chemotherapy with temozolomide, it remains fatal, because of the development of drug resistance, tumor recurrence, and metastasis. Therefore, the need for the effective therapeutic option for gl...
Source: Molecules - October 23, 2020 Category: Chemistry Authors: Ayesha Atiq Ishwar Parhar Tags: Review Source Type: research

Molecules, Vol. 25, Pages 4896: Crotalaria verrucosa Leaf Extract Mediated Synthesis of Zinc Oxide Nanoparticles: Assessment of Antimicrobial and Anticancer Activity
n Le Wanxi Peng In this work, we present an ecofriendly, non-hazardous, green synthesis of zinc oxide nanoparticles (ZnO NPs) by leaf extract of Crotalaria verrucosa (C. verrucosa). Total phenolic content, total flavonoid and total protein contents of C. verrucosa were determined. Further, synthesized ZnO NPs was characterized by UV–visible spectroscopy (UV-vis), X-ray diffractometer (XRD), Fourier transform infra-red (FTIR) Spectra, transmission electron microscope (TEM), and Dynamic light scattering (DLS) analysis. UV-vis shows peak at 375 nm which is unique to ZnO NPs. XRD analysis demonstrates the h...
Source: Molecules - October 23, 2020 Category: Chemistry Authors: Siva Sankar Sana Divya Vishambhar Kumbhakar Akbar Pasha Smita C. Pawar Andrews Nirmala Grace Raghvendra Pratap Singh Van-Huy Nguyen Quyet Van Le Wanxi Peng Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4897: Cyclic RGD Peptide Targeting Coated Nano Drug Co-Delivery System for Therapeutic Use in Age-Related Macular Degeneration Disease
In this study, we prepared nanoparticles of bevacizumab and dexamethasone with cRGD peptide as the target (aBev/cRGD-DPPNs). The particle size of the aBev/cRGD-DPPNs was 213.8 ± 1.5 nm, SEM results showed that the nano-carriers were well dispersed and spherical. The cell uptake study demonstrated the selectivity of the aBev/cRGD-DPPN to ARPE-19 with αVβ3 over expressed. The aBev/cRGD-DPPNs had a better apoptosis induction effect and an obvious inhibitory effect on migration, invasion, and capillary-like structures formation of human umbilical vein epithelial cells. The fluorescein ...
Source: Molecules - October 23, 2020 Category: Chemistry Authors: Jiaxin Liu Lifu Luo Fei Xu Ge Li Jicong Chen Lesheng Teng Youxin Li Fengying Sun Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4898: Thermal Degradation Kinetics and pH-Rate Profiles of Iriflophenone 3,5-C- β-d-diglucoside, Iriflophenone 3-C-β-d-Glucoside and Mangiferin in Aquilaria crassna Leaf Extract
Molecules, Vol. 25, Pages 4898: Thermal Degradation Kinetics and pH-Rate Profiles of Iriflophenone 3,5-C-β-d-diglucoside, Iriflophenone 3-C-β-d-Glucoside and Mangiferin in Aquilaria crassna Leaf Extract Molecules doi: 10.3390/molecules25214898 Authors: Eakkaluk Wongwad Kornkanok Ingkaninan Wudtichai Wisuitiprot Boonchoo Sritularak Neti Waranuch The health benefits of the Aquilaria crassna Pierre ex Lecomte leaf extract (AE) make it very useful as an ingredient in food and pharmaceutical products. Iriflophenone 3,5-C-β-d-diglucoside (1), iriflophenone 3-C-β-d-glucoside (2)...
Source: Molecules - October 23, 2020 Category: Chemistry Authors: Eakkaluk Wongwad Kornkanok Ingkaninan Wudtichai Wisuitiprot Boonchoo Sritularak Neti Waranuch Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4900: Highly Multiplexed Single-Cell In Situ RNA and DNA Analysis by Consecutive Hybridization
a Guo The ability to comprehensively profile nucleic acids in individual cells in their natural spatial contexts is essential to advance our understanding of biology and medicine. Here, we report a novel method for spatial transcriptomics and genomics analysis. In this method, every nucleic acid molecule is detected as a fluorescent spot at its natural cellular location throughout the cycles of consecutive fluorescence in situ hybridization (C-FISH). In each C-FISH cycle, fluorescent oligonucleotide probes hybridize to the probes applied in the previous cycle, and also introduce the binding sites for the next cycle pro...
Source: Molecules - October 23, 2020 Category: Chemistry Authors: Lu Xiao Renjie Liao Jia Guo Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4899: Rotational Spectroscopy Meets Quantum Chemistry for Analyzing Substituent Effects on Non-Covalent Interactions: The Case of the Trifluoroacetophenone-Water Complex
Vincenzo Barone The most stable isomer of the 1:1 complex formed by 2,2,2-trifluoroacetophenone and water has been characterized by combining rotational spectroscopy in supersonic expansion and state-of-the-art quantum-chemical computations. In the observed isomer, water plays the double role of proton donor and acceptor, thus forming a seven-membered ring with 2,2,2-trifluoroacetophenone. Accurate intermolecular parameters featuring one classical O-H···O hydrogen bond and one weak C-H···O hydrogen bond have been determined by mea...
Source: Molecules - October 23, 2020 Category: Chemistry Authors: Juncheng Lei Silvia Alessandrini Junhua Chen Yang Zheng Lorenzo Spada Qian Gou Cristina Puzzarini Vincenzo Barone Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4902: NMR and Computational Studies as Analytical and High-Resolution Structural Tool for Complex Hydroperoxides and Diastereomeric Endo-Hydroperoxides of Fatty Acids in Solution-Exemplified by Methyl Linolenate
rothanassis A combination of selective 1D Total Correlation Spectroscopy (TOCSY) and 1H-13C Heteronuclear Multiple Bond Correlation (HMBC) NMR techniques has been employed for the identification of methyl linolenate primary oxidation products without the need for laborious isolation of the individual compounds. Complex hydroperoxides and diastereomeric endo-hydroperoxides were identified and quantified. Strongly deshielded C–O–O–H 1H-NMR resonances of diastereomeric endo-hydroperoxides in the region of 8.8 to 9.6 ppm were shown to be due to intramolecular hydrogen bonding inter...
Source: Molecules - October 23, 2020 Category: Chemistry Authors: Raheel Ahmed Panayiotis C. Varras Michael G. Siskos Hina Siddiqui M. Iqbal Choudhary Ioannis P. Gerothanassis Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4869: Recent Materials Developed for Dispersive Solid Phase Extraction
ucki Solid phase extraction (SPE) is an analytical procedure developed with the purpose of separating a target analyte from a complex sample matrix prior to quantitative or qualitative determination. The purpose of such treatment is twofold: elimination of matrix constituents that could interfere with the detection process or even damage analytical equipment as well as enriching the analyte in the sample so that it is readily available for detection. Dispersive solid phase extraction (dSPE) is a recent development of the standard SPE technique that is attracting growing attention due to its remarkable simplicity, short...
Source: Molecules - October 22, 2020 Category: Chemistry Authors: Ścigalski Kosobucki Tags: Review Source Type: research

Molecules, Vol. 25, Pages 4870: Topical Wound Healing Activity of Myricetin Isolated from Tecomaria capensis v. aurea
zik H. Farrag Wounds and burn injury are major causes of death and disability worldwide. Myricetin is a common bioactive flavonoid isolated naturally from the plant kingdom. Herein, a topical application of naturally isolated myricetin from the shoots of Tecomaria capensis v. aurea on excisional wound healing that was performed in albino rats. The wounded rats were treated every day with 10 and 20% myricetin for 14 days. During the experiment, the wound closure percentage was estimated at days 0, 7, and 14. Effects of myricetin on the inflammatory cytokines (tumor necrosis factor-α (TNF-α), ...
Source: Molecules - October 22, 2020 Category: Chemistry Authors: Abdelsamed I. Elshamy Naglaa M. Ammar Heba A. Hassan Walaa A. El-Kashak Salim S. Al-Rejaie Ahmed M. Abd-ElGawad Abdel-Razik H. Farrag Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4871: MH-ICP-MS Analysis of the Freshwater and Saltwater Environmental Resources of Upolu Island, Samoa
n Timothy G. Bromage The elemental composition of freshwater and saltwater samples around the South Pacific island of Upolu, Samoa has been investigated together with other indicators of water quality. Up to 69 elements from Li (3) to U (92) are measured in each sample, analyzed by Mattauch–Herzog-inductively coupled plasma-mass spectrometry (MH-ICP-MS). One hundred and seventy-six samples were collected from surface freshwater sources (24 rivers, two volcanic lakes, one dam) and from seawater sources from the surface to 30 m depth (45 inner reef, reef, and outer reef locations) around Upolu Island, inc...
Source: Molecules - October 22, 2020 Category: Chemistry Authors: Sasan Rabieh Odmaa Bayaraa Emarosa Romeo Patila Amosa Khemet Calnek Youssef Idaghdour Michael A. Ochsenk ühn Shady A. Amin Gary Goldstein Timothy G. Bromage Tags: Article Source Type: research

Molecules, Vol. 25, Pages 4872: Benzobicyclo[3.2.1]octene Derivatives as a New Class of Cholinesterase Inhibitors
Škorić A library of amine, oxime, ether, epoxy and acyl derivatives of the benzobicyclo[3.2.1]octene were synthesized and evaluated as inhibitors of both human acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). The majority of the tested compounds exhibited higher selectivity for BChE. Structural adjustment for AChE seems to have been achieved by acylation, and the furan ring opening of furo-benzobicyclo[3.2.1]octadiene results for compound 51 with the highest AChE affinity (IC50 = 8.3 µM). Interestingly, its analogue, an oxime ether with a benzobicyclo[3.2.1]-skeleton, compound 32 ...
Source: Molecules - October 22, 2020 Category: Chemistry Authors: Čadež Grgi čević Ahmetovi ć Bari ć Hrvat Kovarik Škorić Tags: Article Source Type: research