Molecules, Vol. 26, Pages 2962: Label-Free Fluorescence Molecular Beacon Probes Based on G-Triplex DNA and Thioflavin T for Protein Detection
Zhou Protein detection plays an important role in biological and biomedical sciences. The immunoassay based on fluorescence labeling has good specificity but a high labeling cost. Herein, on the basis of G-triplex molecular beacon (G3MB) and thioflavin T (ThT), we developed a simple and label-free biosensor for protein detection. The biotin and streptavidin were used as model enzymes. In the presence of target streptavidin (SA), the streptavidin hybridized with G3MB-b (biotin-linked-G-triplex molecular beacon) perfectly and formed larger steric hindrance, which hindered the hydrolysis of probes by exonuclease III (Exo...
Source: Molecules - May 17, 2021 Category: Chemistry Authors: Jun Xue Jintao Yi Hui Zhou Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2963: Neuroprotective Effects and Mechanisms of Procyanidins In Vitro and In Vivo
In conclusion, these results indicated that PCs exerted neuroprotective effects via activating the Nrf2/ARE pathway and alleviating oxidative damage. (Source: Molecules)
Source: Molecules - May 17, 2021 Category: Chemistry Authors: Juan Chen Yixuan Chen Yangfan Zheng Jiawen Zhao Huilin Yu Jiajin Zhu Duo Li Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2964: Assessment of Growth Factors, Cytokines, and Cellular Markers in Saliva of Patients with Trigeminal Neuralgia
lli We proposed to perform a comparative analysis of growth factors, cytokines, and chemokine receptors on the salivary cells in the saliva obtained from trigeminal neuralgia (TN) and normal subjects. Saliva was collected from TN and healthy subjects. Salivary cells were isolated by centrifugation. The expression of the cell surface marker was analyzed by flow cytometry. A cytometric bead array was done to measure the levels of cytokines and growth factors on the flow cytometer. Saliva from TN subjects showed lower growth factor levels of Angiopoietin-2, bFGF, HGF, SCF, TGF-α, and VEGF and higher cytokine levels ...
Source: Molecules - May 17, 2021 Category: Chemistry Authors: Shankargouda Patil Luca Testarelli Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2965: Understanding Topological Insulators in Real Space
ulia Contreras-García A real space understanding of the Su–Schrieffer–Heeger model of polyacetylene is introduced thanks to delocalization indices defined within the quantum theory of atoms in molecules. This approach enables to go beyond the analysis of electron localization usually enabled by topological insulator indices—such as IPR—enabling to differentiate between trivial and topological insulator phases. The approach is based on analyzing the electron delocalization between second neighbors, thus highlighting the relevance of the sublattices induced by chiral symmetry. Moreover, the...
Source: Molecules - May 17, 2021 Category: Chemistry Authors: Angel Mart ín Pendás Francisco Mu ñoz Carlos Cardenas Julia Contreras-Garc ía Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2968: Mechanism of Producing Metallic Nanoparticles, with an Emphasis on Silver and Gold Nanoparticles, Using Bottom-Up Methods
itz Bottom-up nanoparticle (NP) formation is assumed to begin with the reduction of the precursor metallic ions to form zero-valent atoms. Studies in which this assumption was made are reviewed. The standard reduction potential for the formation of aqueous metallic atoms—E0(Mn+aq/M0aq)—is significantly lower than the usual standard reduction potential for reducing metallic ions Mn+ in aqueous solution to a metal in solid state. E0(Mn+aq/M0solid). E0(Mn+aq/M0aq) values are negative for many typical metals, including Ag and Au, for which E0(Mn+aq/M0solid) is positive. Therefore, many common moderate reduction...
Source: Molecules - May 17, 2021 Category: Chemistry Authors: Basil Raju Karimadom Haya Kornweitz Tags: Review Source Type: research

Molecules, Vol. 26, Pages 2967: Characterization of a Novel CaCO3-Forming Alkali-Tolerant Rhodococcus erythreus S26 as a Filling Agent for Repairing Concrete Cracks
Hong-Joo Son Biomineralization, a well-known natural phenomenon associated with various microbial species, is being studied to protect and strengthen building materials such as concrete. We characterized Rhodococcus erythreus S26, a novel urease-producing bacterium exhibiting CaCO3-forming activity, and investigated its ability in repairing concrete cracks for the development of environment-friendly sealants. Strain S26 grown in solid medium formed spherical and polygonal CaCO3 crystals. The S26 cells grown in a urea-containing liquid medium caused culture fluid alkalinization and increased CaCO3 levels, indicating th...
Source: Molecules - May 17, 2021 Category: Chemistry Authors: Seunghoon Choi Sungjin Park Minjoo Park Yerin Kim Kwang Min Lee O-Mi Lee Hong-Joo Son Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2952: Visual pH Sensors: From a Chemical Perspective to New Bioengineered Materials
zi Many human activities and cellular functions depend upon precise pH values, and pH monitoring is considered a fundamental task. Colorimetric and fluorescence sensors for pH measurements are chemical and biochemical tools able to sense protons and produce a visible signal. These pH sensors are gaining widespread attention as non-destructive tools, visible to the human eye, that are capable of a real-time and in-situ response. Optical “visual” sensors are expanding researchers’ interests in many chemical contexts and are routinely used for biological, environmental, and medical applications. In this ...
Source: Molecules - May 16, 2021 Category: Chemistry Authors: Luigi Di Costanzo Barbara Panunzi Tags: Review Source Type: research

Molecules, Vol. 26, Pages 2953: Femtosecond Laser Drilling of Cylindrical Holes for Carbon Fiber-Reinforced Polymer (CFRP) Composites
ang Cao Ultrafast laser drilling has been proven to effectively reduce the heat-affected zone (HAZ) of carbon fiber-reinforced polymer (CFRP) composites. However, previous research mainly focused on the effects of picosecond laser parameters on CFRP drilling. Compared with a picosecond laser, a femtosecond laser can achieve higher quality CFRP drilling due to its smaller pulse width, but there are few studies on the effects of femtosecond laser parameters on CFRP drilling. Moreover, the cross-sectional taper of CFRP produced by laser drilling is very large. This paper introduces the use of the femtosecond laser to dril...
Source: Molecules - May 16, 2021 Category: Chemistry Authors: Hao Jiang Caiwen Ma Ming Li Zhiliang Cao Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2954: The Potential Effects of Phytoestrogens: The Role in Neuroprotection
rtosz Phytoestrogens are naturally occurring non-steroidal phenolic plant compounds. Their structure is similar to 17-β-estradiol, the main female sex hormone. This review offers a concise summary of the current literature on several potential health benefits of phytoestrogens, mainly their neuroprotective effect. Phytoestrogens lower the risk of menopausal symptoms and osteoporosis, as well as cardiovascular disease. They also reduce the risk of brain disease. The effects of phytoestrogens and their derivatives on cancer are mainly due to the inhibition of estrogen synthesis and metabolism, leading to antiangioge...
Source: Molecules - May 16, 2021 Category: Chemistry Authors: Justyna Gorzkiewicz Grzegorz Bartosz Izabela Sadowska-Bartosz Tags: Review Source Type: research

Molecules, Vol. 26, Pages 2955: 2D Porphyrinic Metal-Organic Frameworks Featuring Rod-Shaped Secondary Building Units
In this study, the CuII complex of 5,15-bis(4-carboxyphenyl)-10,20-diphenylporphyrin (H2L-CuII, where H2 refers to the ligand’s carboxyl H atoms) is used to prepare two new 2D porphyrinic rod MOFs PROD-1 and PROD-2. Single-crystal X-ray analysis reveals that these frameworks feature 1D MnII- or CoII-based rod-like SBUs that are coordinated by labile solvent molecules and photoactive porphyrin moieties. Both materials were characterised using infrared (IR) spectroscopy, powder X-ray diffraction (PXRD) spectroscopy and thermogravimetric analysis (TGA). The structural attributes of PROD-1 and PROD-2 render them promisin...
Source: Molecules - May 16, 2021 Category: Chemistry Authors: Rory Elliott Aoife A. Ryan Aviral Aggarwal Nianyong Zhu Friedrich W. Steuber Mathias O. Senge Wolfgang Schmitt Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2956: The Crystal Structure and Intermolecular Interactions in Fenamic Acids –Acridine Complexes
Molecules, Vol. 26, Pages 2956: The Crystal Structure and Intermolecular Interactions in Fenamic Acids–Acridine Complexes Molecules doi: 10.3390/molecules26102956 Authors: Marta S. Krawczyk Adam Sroka Irena Majerz In order to improve pharmaceutical properties of drugs, complexes are synthesized as combinations with other chemical substances. The complexes of fenamic acid and its derivatives, such as mefenamic-, tolfenamic- and flufenamic acid, with acridine were obtained and the X-ray structures were discussed. Formation of the crystals is determined by the presence of the intermolecular O–H…...
Source: Molecules - May 16, 2021 Category: Chemistry Authors: Marta S. Krawczyk Adam Sroka Irena Majerz Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2957: Cu-Catalyzed Arylation of Bromo-Difluoro-Acetamides by Aryl Boronic Acids, Aryl Trialkoxysilanes and Dimethyl-Aryl-Sulfonium Salts: New Entries to Aromatic Amides
We describe a mechanism-guided discovery of a synthetic methodology that enables the preparation of aromatic amides from 2-bromo-2,2-difluoroacetamides utilizing a copper-catalyzed direct arylation. Readily available and structurally simple aryl precursors such as aryl boronic acids, aryl trialkoxysilanes and dimethyl-aryl-sulfonium salts were used as the source for the aryl substituents. The scope of the reactions was tested, and the reactions were insensitive to the electronic nature of the aryl groups, as both electron-rich and electron-deficient aryls were successfully introduced. A wide range of 2-bromo-2,2-difluoroac...
Source: Molecules - May 16, 2021 Category: Chemistry Authors: Satenik Mkrtchyan Micha ł Jakubczyk Suneel Lanka Michael Pittelkow Viktor O. Iaroshenko Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2958: Adsorptive Cathodic Stripping Voltammetry for Quantification of Alprazolam
korn Limbut A simple and highly sensitive electrochemical sensor was developed for adsorptive cathodic stripping voltammetry of alprazolam. Based on an electrochemically pretreated glassy carbon electrode, the sensor demonstrated good adsorption and electrochemical reduction of alprazolam. The morphology of the glassy carbon electrode and the electrochemically pretreated glassy carbon electrode were characterized by scanning electron microscopy/energy dispersive X-ray spectroscopy, Fourier transform infrared spectroscopy, cyclic voltammetry, and electrochemical impedance spectroscopy. The electrochemical behaviors of a...
Source: Molecules - May 16, 2021 Category: Chemistry Authors: Waree Boonmee Kritsada Samoson Janjira Yodrak Adul Thiagchanya Apichai Phonchai Warakorn Limbut Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2959: Dietary Plant Polyphenols: Effects of Food Processing on Their Content and Bioavailability
i Dietary plant polyphenols are natural bioactive compounds that are increasingly attracting the attention of food scientists and nutritionists because of their nutraceutical properties. In fact, many studies have shown that polyphenol-rich diets have protective effects against most chronic diseases. However, these health benefits are strongly related to both polyphenol content and bioavailability, which in turn depend on their origin, food matrix, processing, digestion, and cellular metabolism. Although most fruits and vegetables are valuable sources of polyphenols, they are not usually consumed raw. Instead, they go ...
Source: Molecules - May 16, 2021 Category: Chemistry Authors: Leila Arfaoui Tags: Review Source Type: research

Molecules, Vol. 26, Pages 2960: A Review on the Utilization of Lignin as a Fermentation Substrate to Produce Lignin-Modifying Enzymes and Other Value-Added Products
mirci The lignocellulosic biomass is comprised of three major components: cellulose, hemicellulose, and lignin. Among these three, cellulose and hemicellulose were already used for the generation of simple sugars and subsequent value-added products. However, lignin is the least applied material in this regard because of its complex and highly variable nature. Regardless, lignin is the most abundant material, and it can be used to produce value-added products such as lignin-modifying enzymes (LMEs), polyhydroxyalkanoates (PHAs), microbial lipids, vanillin, muconic acid, and many others. This review explores the potentia...
Source: Molecules - May 16, 2021 Category: Chemistry Authors: Attia Iram Aydin Berenjian Ali Demirci Tags: Review Source Type: research

Molecules, Vol. 26, Pages 2961: Design, Synthesis, and Anticancer Screening for Repurposed Pyrazolo[3,4-d]pyrimidine Derivatives on Four Mammalian Cancer Cell Lines
Ahmed Wahid The present study reports the synthesis of new purine bioisosteres comprising a pyrazolo[3,4-d]pyrimidine scaffold linked to mono-, di-, and trimethoxy benzylidene moieties through hydrazine linkages. First, in silico docking experiments of the synthesized compounds against Bax, Bcl-2, Caspase-3, Ki67, p21, and p53 were performed in a trial to rationalize the observed cytotoxic activity for the tested compounds. The anticancer activity of these compounds was evaluated in vitro against Caco-2, A549, HT1080, and Hela cell lines. Results revealed that two (5 and 7) of the three synthesized compounds (5, 6, and...
Source: Molecules - May 16, 2021 Category: Chemistry Authors: Eman M. Othman Amany A. Bekhit Mohamed A. Anany Thomas Dandekar Hanan M. Ragab Ahmed Wahid Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2938: Multifunctionality of Reduced Graphene Oxide in Bioderived Polylactide/Poly(Dodecylene Furanoate) Nanocomposite Films
andro Pegoretti This work reports on the first attempt to prepare bioderived polymer films by blending polylactic acid (PLA) and poly(dodecylene furanoate) (PDoF). This blend, containing 10 wt% PDoF, was filled with reduced graphene oxide (rGO) in variable weight fractions (from 0.25 to 2 phr), and the resulting nanocomposites were characterized to assess their microstructural, thermal, mechanical, optical, electrical, and gas barrier properties. The PLA/PDoF blend resulted as immiscible, and the addition of rGO, which preferentially segregated in the PDoF phase, resulted in smaller (from 2.6 to 1.6 µm) and more ...
Source: Molecules - May 15, 2021 Category: Chemistry Authors: Giulia Fredi Mahdi Karimi Jafari Andrea Dorigato Dimitrios N. Bikiaris Riccardo Checchetto Matteo Favaro Roberto Sennen Brusa Alessandro Pegoretti Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2939: Effects of Thai Local Ingredient Odorants, Litsea cubeba and Garlic Essential Oils, on Brainwaves and Moods
nit Koomhin The functional food market is growing with a compound annual growth rate of 7.9%. Thai food recipes use several kinds of herbs. Lemongrass, garlic, and turmeric are ingredients used in Thai curry paste. Essential oils released in the preparation step create the flavor and fragrance of the famous tom yum and massaman dishes. While the biological activities of these ingredients have been investigated, including the antioxidant, anti-inflammatory, and antimicrobial activities, there is still a lack of understanding regarding the responses to the essential oils of these plants. To investigate the effects of ess...
Source: Molecules - May 15, 2021 Category: Chemistry Authors: Apsorn Sattayakhom Sumethee Songsamoe Gorawit Yusakul Kosin Kalarat Narumol Matan Phanit Koomhin Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2940: Electrochemical Biosensors in Food Safety: Challenges and Perspectives
i Safety and quality are key issues for the food industry. Consequently, there is growing demand to preserve the food chain and products against substances toxic, harmful to human health, such as contaminants, allergens, toxins, or pathogens. For this reason, it is mandatory to develop highly sensitive, reliable, rapid, and cost-effective sensing systems/devices, such as electrochemical sensors/biosensors. Generally, conventional techniques are limited by long analyses, expensive and complex procedures, and skilled personnel. Therefore, developing performant electrochemical biosensors can significantly support the scre...
Source: Molecules - May 15, 2021 Category: Chemistry Authors: Antonella Curulli Tags: Review Source Type: research

Molecules, Vol. 26, Pages 2941: Sweet Cherries as Anti-Cancer Agents: From Bioactive Compounds to Function
z Ana P. Duarte Sílvia Socorro Sweet cherries (Prunus avium L.) are among the most appreciated fruits worldwide because of their organoleptic properties and nutritional value. The accurate phytochemical composition and nutritional value of sweet cherries depends on the climatic region, cultivar, and bioaccessibility and bioavailability of specific compounds. Nevertheless, sweet cherry extracts are highly enriched in several phenolic compounds with relevant bioactivity. Over the years, technological advances in chemical analysis and fields as varied as proteomics, genomics and bioinformatics, have allowed the...
Source: Molecules - May 15, 2021 Category: Chemistry Authors: Lara R. S. Fonseca Gon çalo R. Silva Ângelo Luís Henrique J. Cardoso Sara Correia C átia V. Vaz Ana P. Duarte S ílvia Socorro Tags: Review Source Type: research

Molecules, Vol. 26, Pages 2942: Recent Advances in the Synthesis of Polymer-Grafted Low-K and High-K Nanoparticles for Dielectric and Electronic Applications
Raghavan The synthesis of polymer-grafted nanoparticles (PGNPs) or hairy nanoparticles (HNPs) by tethering of polymer chains to the surface of nanoparticles is an important technique to obtain nanostructured hybrid materials that have been widely used in the formulation of advanced polymer nanocomposites. Ceramic-based polymer nanocomposites integrate key attributes of polymer and ceramic nanomaterial to improve the dielectric properties such as breakdown strength, energy density and dielectric loss. This review describes the ”grafting from” and ”grafting to” approaches commonly adopted to graf...
Source: Molecules - May 15, 2021 Category: Chemistry Authors: Bhausaheb V. Tawade Ikeoluwa E. Apata Nihar Pradhan Alamgir Karim Dharmaraj Raghavan Tags: Review Source Type: research

Molecules, Vol. 26, Pages 2943: Antibody –Drug Conjugates—A Tutorial Review
Molecules, Vol. 26, Pages 2943: Antibody–Drug Conjugates—A Tutorial Review Molecules doi: 10.3390/molecules26102943 Authors: Stephanie Baah Mark Laws Khondaker Miraz Rahman Antibody–drug conjugates (ADCs) are a family of targeted therapeutic agents for the treatment of cancer. ADC development is a rapidly expanding field of research, with over 80 ADCs currently in clinical development and eleven ADCs (nine containing small-molecule payloads and two with biological toxins) approved for use by the FDA. Compared to traditional small-molecule approaches, ADCs offer enhanced targeting of cancer cel...
Source: Molecules - May 15, 2021 Category: Chemistry Authors: Stephanie Baah Mark Laws Khondaker Miraz Rahman Tags: Review Source Type: research

Molecules, Vol. 26, Pages 2944: Characterization of Metabolites in Plasma, Urine and Feces of Healthy Participants after Taking Brahmi Essence for Twelve Weeks Using LC-ESI-QTOF-MS Metabolomic Approach
ornkanok Ingkaninan Brahmi essence, developed from Bacopa monnieri (L.) Wettst. standardized extract and mulberry juice, was proven to improve the memory speed of healthy participants aged 55–80 years old, following a 12-week dietary program. However, the metabolites have not yet been reported. Our objective was to characterize the altered metabolites in the plasma, urine, and feces of healthy volunteers after consumption of Brahmi essence for 12 weeks, using the LC-MS metabolomics approach. The altered metabolites were selected from OPLS-DA S-plots; 15 metabolites in the plasma, 7 in the urine, and 17 in the fec...
Source: Molecules - May 15, 2021 Category: Chemistry Authors: Genet Minale Tongchai Saesong Prapapan Temkitthawon Neti Waranuch Nitra Nuengchamnong Krongkarn Chootip Natakorn Kamkaew Teeraporn Kongbangkerd Jinutda Engsuwan Kornkanok Ingkaninan Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2945: Molecular Structure, Thermodynamic and Spectral Characteristics of Metal-Free and Nickel Complex of Tetrakis(1,2,5-thiadiazolo)porphyrazine
A. Stuzhin The Knudsen effusion method with mass spectrometric control of the vapor composition was used to study the possibility of a congruent transition to the gas phase and to estimate the enthalpy of sublimation of metal-free tetrakis(1,2,5-thiadiazolo)porphyrazine and its nickel complex (H2TTDPz and NiTTDPz, respectively). The geometrical and electronic structure of H2TTDPz and NiTTDPz in ground and low-lying excited electronic states were determined by DFT calculations. The electronic structure of NiTTDPz was studied by the complete active space (CASSCF) method, following accounting dynamic correlation by multi...
Source: Molecules - May 15, 2021 Category: Chemistry Authors: Yuriy A. Zhabanov Alexey V. Eroshin Igor V. Ryzhov Ilya A. Kuzmin Daniil N. Finogenov Pavel A. Stuzhin Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2946: AdipoRon, an Orally Active, Synthetic Agonist of AdipoR1 and AdipoR2 Receptors Has Gastroprotective Effect in Experimentally Induced Gastric Ulcers in Mice
Conclusions: Activation of AdipoR1 and AdipoR2 using AdipoRon reduced gastric lesions and enhanced cell response to oxidative stress. Our data suggest that AdipoR1 and AdipoR2 activation may be an attractive therapeutic strategy to inhibit development of gastric ulcers. (Source: Molecules)
Source: Molecules - May 15, 2021 Category: Chemistry Authors: Hubert Zatorski Maciej Salaga Marta Zieli ńska Kinga Majchrzak Agata Binienda Radzis ław Kordek Ewa Ma łecka-Panas Jakub Fichna Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2947: Inter- and Intra-Molecular Organocatalysis of SN2 Fluorination by Crown Ether: Kinetics and Quantum Chemical Analysis
We present the intra- and inter-molecular organocatalysis of SN2 fluorination using CsF by crown ether to estimate the efficacy of the promoter and to elucidate the reaction mechanism. The yields of intramolecular SN2 fluorination of the veratrole substrates are measured to be very small (<1% in 12 h) in the absence of crown ether promoters, whereas the SN2 fluorination of the substrate possessing a crown ether unit proceeds to near completion (~99%) in 12 h. We also studied the efficacy of intermolecular rate acceleration by an independent promoter 18-crown-6 for comparison. We find that the fluorinating yield ...
Source: Molecules - May 15, 2021 Category: Chemistry Authors: Young-Ho Oh Wonhyuck Yun Chul-Hee Kim Sung-Woo Jang Sung-Sik Lee Sungyul Lee Dong-Wook Kim Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2948: The Therapeutic Potential of Psilocybin
Lorenzo Gordon The psychedelic effects of some plants and fungi have been known and deliberately exploited by humans for thousands of years. Fungi, particularly mushrooms, are the principal source of naturally occurring psychedelics. The mushroom extract, psilocybin has historically been used as a psychedelic agent for religious and spiritual ceremonies, as well as a therapeutic option for neuropsychiatric conditions. Psychedelic use was largely associated with the “hippie” counterculture movement, which, in turn, resulted in a growing, and still lingering, negative stigmatization for psychedelics. As a re...
Source: Molecules - May 15, 2021 Category: Chemistry Authors: Henry Lowe Ngeh Toyang Blair Steele Henkel Valentine Justin Grant Amza Ali Wilfred Ngwa Lorenzo Gordon Tags: Review Source Type: research

Molecules, Vol. 26, Pages 2949: Soil and Leaf Nutrients Drivers on the Chemical Composition of the Essential Oil of Siparuna muricata (Ruiz & amp; Pav.) A. DC. from Ecuador
Molecules, Vol. 26, Pages 2949: Soil and Leaf Nutrients Drivers on the Chemical Composition of the Essential Oil of Siparuna muricata (Ruiz & Pav.) A. DC. from Ecuador Molecules doi: 10.3390/molecules26102949 Authors: Juan I. Burneo Ángel Benítez James Calva Pablo Velastegui Vladimir Morocho Chemical compositions of plants are affected by the initial nutrient contents in the soil and climatic conditions; thus, we analyzed for the first time the effects of soil and leaf nutrients on the compositions of the essential oils (EOs) of Siparuna muricata in four different localities in Ecuador...
Source: Molecules - May 15, 2021 Category: Chemistry Authors: Juan I. Burneo Ángel Benítez James Calva Pablo Velastegui Vladimir Morocho Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2950: Triazolyl Conjugated (Oligo)Phenothiazines Building Blocks for Hybrid Materials —Synthesis and Electronic Properties
Molecules, Vol. 26, Pages 2950: Triazolyl Conjugated (Oligo)Phenothiazines Building Blocks for Hybrid Materials—Synthesis and Electronic Properties Molecules doi: 10.3390/molecules26102950 Authors: Hilla Khelwati Adam W. Franz Zhou Zhou Werner R. Thiel Thomas J. J. Müller The Cu-catalyzed alkyne-azide 1,3-dipolar cycloaddition variant provides a highly efficient entry to conjugated triazolyl-substituted (oligo)phenothiazine organosilicon derivatives with luminescence and reversible redox characteristics. Furthermore, by in-situ co-condensation synthesis several representative mesoporous MCM-41 ty...
Source: Molecules - May 15, 2021 Category: Chemistry Authors: Hilla Khelwati Adam W. Franz Zhou Zhou Werner R. Thiel Thomas J. J. M üller Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2951: Characteristics of Dietary Fatty Acids Isolated from Historic Dental Calculus of the 17th- and 18th-Century Inhabitants of the Subcarpathian Region (Poland)
Maciej Wnuk Dental calculus analysis can be a valuable source of archaeological knowledge, since it preserves not only microbial and host biomolecules but also dietary and environmental debris, as well as metabolic products likely originating from dietary and craft activities. Here we described GC-MS analysis of a set of historic dental calculus samples from the front teeth of the mandibles of seven individuals found in 17th- and 18th-century graves in the city of Rzeszow, located in South-eastern Poland. We have found that only saturated fatty acids, which are characteristic for fats of animal origin, were present in...
Source: Molecules - May 15, 2021 Category: Chemistry Authors: Joanna Rog óż Magdalena Podbielska Ewa Szpyrka Maciej Wnuk Tags: Communication Source Type: research

Molecules, Vol. 26, Pages 2924: Use of Half-Generation PAMAM Dendrimers (G0.5 –G3.5) with Carboxylate End-Groups to Improve the DACHPtCl2 and 5-FU Efficacy as Anticancer Drugs
Molecules, Vol. 26, Pages 2924: Use of Half-Generation PAMAM Dendrimers (G0.5–G3.5) with Carboxylate End-Groups to Improve the DACHPtCl2 and 5-FU Efficacy as Anticancer Drugs Molecules doi: 10.3390/molecules26102924 Authors: Cláudia Camacho Helena Tomás João Rodrigues The DACHPtCl2 compound (trans-(R,R)-1,2-diaminocyclohexanedichloroplatinum(II)) is a potent anticancer drug with a broad spectrum of activity and is less toxic than oxaliplatin (trans-l-diaminocyclohexane oxalate platinum II), with which it shares the active metal fragment DACHPt. Nevertheless, due to poor water solubili...
Source: Molecules - May 14, 2021 Category: Chemistry Authors: Cl áudia Camacho Helena Tom ás Jo ão Rodrigues Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2925: Novel Thiochromanone Derivatives Containing a Sulfonyl Hydrazone Moiety: Design, Synthesis, and Bioactivity Evaluation
Tan Pei Li A series of novel thiochromanone derivatives containing a sulfonyl hydrazone moiety were designed and synthesized. Their structures were determined by 1H-NMR, 13C-NMR, and HRMS. Bioassay results showed that most of the target compounds revealed moderate to good antibacterial activities against Xanthomonas oryzae pv. oryzae, Xanthomonas oryzae pv. oryzicolaby, and Xanthomonas axonopodis pv. citri. Compound 4i had the best inhibitory activity against Xanthomonas oryzae pv. oryzae, Xanthomonas oryzae pv. oryzicolaby, and Xanthomonas axonopodis pv. citri, with the EC50 values of 8.67, 12.65, and 10.62 μg/m...
Source: Molecules - May 14, 2021 Category: Chemistry Authors: Lu Yu Jiyan Chi Lingling Xiao Jie Li Zhangfei Tang Shuming Tan Pei Li Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2926: An Overview of the Chemical Characteristics, Bioactivity and Achievements Regarding the Therapeutic Usage of Acetogenins from Annona cherimola Mill
nillo Francisco A. Macías Annona cherimola Mill., or the custard apple, is one of the species belonging to the Annonaceae family, is widely used in traditional medicine, and has been reported to be a valuable source of bioactive compounds. A unique class of secondary metabolites derived from this family are Annonaceous acetogenins, lipophilic polyketides considered to be amongst the most potent antitumor compounds. This review provides an overview of the chemical diversity, isolation procedures, bioactivity, modes of application and synthetic derivatives of acetogenins from A. cherimola Mill. (Source: Molecules)
Source: Molecules - May 14, 2021 Category: Chemistry Authors: Alexandra G. Dur án M. Teresa Guti érrez Francisco J. R. Mej ías Jos é M. G. Molinillo Francisco A. Mac ías Tags: Review Source Type: research

Molecules, Vol. 26, Pages 2927: Rational Design and Synthesis of AT1R Antagonists
romoustakos Hypertension is one of the most common diseases nowadays and is still the major cause of premature death despite of the continuous discovery of novel therapeutics. The discovery of the Renin Angiotensin System (RAS) unveiled a path to develop efficient drugs to fruitfully combat hypertension. Several compounds that prevent the Angiotensin II hormone from binding and activating the AT1R, named sartans, have been developed. Herein, we report a comprehensive review of the synthetic paths followed for the development of different sartans since the discovery of the first sartan, Losartan. (Source: Molecules)
Source: Molecules - May 14, 2021 Category: Chemistry Authors: Nikitas Georgiou Vasileios K. Gkalpinos Spyridon D. Katsakos Stamatia Vassiliou Andreas G. Tzakos Thomas Mavromoustakos Tags: Review Source Type: research

Molecules, Vol. 26, Pages 2928: Molecular Tailoring Approach for the Estimation of Intramolecular Hydrogen Bond Energy
dre Hydrogen bonds (HBs) play a crucial role in many physicochemical and biological processes. Theoretical methods can reliably estimate the intermolecular HB energies. However, the methods for the quantification of intramolecular HB (IHB) energy available in the literature are mostly empirical or indirect and limited only to evaluating the energy of a single HB. During the past decade, the authors have developed a direct procedure for the IHB energy estimation based on the molecular tailoring approach (MTA), a fragmentation method. This MTA-based method can yield a reliable estimate of individual IHB energy in a syste...
Source: Molecules - May 14, 2021 Category: Chemistry Authors: Milind M. Deshmukh Shridhar R. Gadre Tags: Review Source Type: research

Molecules, Vol. 26, Pages 2929: Force Field Parameters for Fe2+4S2 −4 Clusters of Dihydropyrimidine Dehydrogenase, the 5-Fluorouracil Cancer Drug Deactivation Protein: A Step towards In Silico Pharmacogenomics Studies
Molecules, Vol. 26, Pages 2929: Force Field Parameters for Fe2+4S2−4 Clusters of Dihydropyrimidine Dehydrogenase, the 5-Fluorouracil Cancer Drug Deactivation Protein: A Step towards In Silico Pharmacogenomics Studies Molecules doi: 10.3390/molecules26102929 Authors: Maureen Bilinga Tendwa Lorna Chebon-Bore Kevin Lobb Thommas Mutemi Musyoka Özlem Tastan Bishop The dimeric dihydropyrimidine dehydrogenase (DPD), metalloenzyme, an adjunct anti-cancer drug target, contains highly specialized 4 × Fe2+4S2−4 clusters per chain. These clusters facilitate the catalysis of the rate-limiting step...
Source: Molecules - May 14, 2021 Category: Chemistry Authors: Maureen Bilinga Tendwa Lorna Chebon-Bore Kevin Lobb Thommas Mutemi Musyoka Özlem Tastan Bishop Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2930: Propolis Extract and Its Bioactive Compounds —From Traditional to Modern Extraction Technologies
Molecules, Vol. 26, Pages 2930: Propolis Extract and Its Bioactive Compounds—From Traditional to Modern Extraction Technologies Molecules doi: 10.3390/molecules26102930 Authors: Jelena Šuran Ivica Cepanec Tomislav Mašek Božo Radić Saša Radić Ivana Tlak Gajger Josipa Vlainić Propolis is a honeybee product known for its antioxidant, anti-inflammatory, anticancer, and antimicrobial effects. It is rich in bioactive molecules whose content varies depending on the botanical and geographical origin of propolis. These bioactive molecules have been studied individually and as a par...
Source: Molecules - May 14, 2021 Category: Chemistry Authors: Jelena Šuran Ivica Cepanec Tomislav Ma šek Bo žo Radić Sa ša Radić Ivana Tlak Gajger Josipa Vlaini ć Tags: Review Source Type: research

Molecules, Vol. 26, Pages 2931: Multidisciplinary Studies of Folk Medicine “Five Thieves’ Oil” (Olejek Pięciu Złodziei) Components
This study is the first to characterize the constituents of the popular folk medicine five thieves’ oil, confirming and explaining its strong antibacterial activity, thus constituting a significant contribution to contemporary health education. (Source: Molecules)
Source: Molecules - May 14, 2021 Category: Chemistry Authors: Przemys ław Siejak Wojciech Smu łek Farahnaz Fathordobady Anna Grygier Hanna Maria Baranowska Magdalena Rudzi ńska Łukasz Masewicz Ma łgorzata Jarzębska Piotr T. Nowakowski Aleksandra Makiej Pardis Kazemian Pawe ł Drobnik Barbara Stachowiak Maciej Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2932: Synthesis of New Functionally Substituted 9-Azabicyclo[4.2.1]nona-2,4,7-Trienes by Cobalt(I)-Catalyzed [6 π + 2π]-Cycloaddition of N-Carbocholesteroxyazepine to Alkynes
Molecules, Vol. 26, Pages 2932: Synthesis of New Functionally Substituted 9-Azabicyclo[4.2.1]nona-2,4,7-Trienes by Cobalt(I)-Catalyzed [6π + 2π]-Cycloaddition of N-Carbocholesteroxyazepine to Alkynes Molecules doi: 10.3390/molecules26102932 Authors: Gulnara N. Kadikova Vladimir A. D’yakonov Usein M. Dzhemilev Catalytic [6π + 2π]-cycloaddition of N-carbocholesteroxyazepine with functionally substituted terminal alkynes and 1,4-butynediol was performed for the first time under the action of the Co(acac)2(dppe)/Zn/ZnI2 three-component catalytic system. The reaction gave previously undescribed but...
Source: Molecules - May 14, 2021 Category: Chemistry Authors: Gulnara N. Kadikova Vladimir A. D ’yakonov Usein M. Dzhemilev Tags: Communication Source Type: research

Molecules, Vol. 26, Pages 2933: Ageratum conyzoides L. and Its Secondary Metabolites in the Management of Different Fungal Pathogens
ibur Rahman Vineet Mittal Ageratum conyzoides L. (Family—Asteraceae) is an annual aromatic invasive herb, mainly distributed over the tropical and subtropical regions of the world. It owns a reputed history of indigenous remedial uses, including as a wound dressing, an antimicrobial, and mouthwash as well as in treatment of dysentery, diarrhea, skin diseases, etc. In this review, the core idea is to present the antifungal potential of the selected medicinal plant and its secondary metabolites against different fungal pathogens. Additionally, toxicological studies (safety profile) conducted on the amazing plant ...
Source: Molecules - May 14, 2021 Category: Chemistry Authors: Rubal Chahal Arun Nanda Esra K üpeli Akkol Eduardo Sobarzo-S ánchez Ashwani Arya Deepak Kaushik Rohit Dutt Rashmi Bhardwaj Md. Habibur Rahman Vineet Mittal Tags: Review Source Type: research

Molecules, Vol. 26, Pages 2934: New 3-Ethynylaryl Coumarin-Based Dyes for DSSC Applications: Synthesis, Spectroscopic Properties, and Theoretical Calculations
A. Jorge Parola Paula S. Branco A set of 3-ethynylaryl coumarin dyes with mono, bithiophenes and the fused variant, thieno [3,2-b] thiophene, as well as an alkylated benzotriazole unit were prepared and tested for dye-sensitized solar cells (DSSCs). For comparison purposes, the variation of the substitution pattern at the coumarin unit was analyzed with the natural product 6,7-dihydroxycoumarin (Esculetin) as well as 5,7-dihydroxycomarin in the case of the bithiophene dye. Crucial steps for extension of the conjugated system involved Sonogashira reaction yielding highly fluorescent molecules. Spectroscopic characteri...
Source: Molecules - May 14, 2021 Category: Chemistry Authors: Jo ão Sarrato Ana Lucia Pinto Gabriela Malta Eva H. R öck Jo ão Pina Jo ão Carlos Lima A. Jorge Parola Paula S. Branco Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2935: Mitochondrial K+ Transport: Modulation and Functional Consequences
ski The existence of a K+ cycle in mitochondria has been predicted since the development of the chemiosmotic theory and has been shown to be crucial for several cellular phenomena, including regulation of mitochondrial volume and redox state. One of the pathways known to participate in K+ cycling is the ATP-sensitive K+ channel, MitoKATP. This channel was vastly studied for promoting protection against ischemia reperfusion when pharmacologically activated, although its molecular identity remained unknown for decades. The recent molecular characterization of MitoKATP has opened new possibilities for modulation of this c...
Source: Molecules - May 14, 2021 Category: Chemistry Authors: Osvaldo Pereira Alicia J. Kowaltowski Tags: Review Source Type: research

Molecules, Vol. 26, Pages 2936: Intrinsic Dynamic and Static Nature of Halogen Bonding in Neutral Polybromine Clusters, with the Structural Feature Elucidated by QTAIM Dual-Functional Analysis and MO Calculations
kanishi The intrinsic dynamic and static nature of noncovalent Br-∗-Br interactions in neutral polybromine clusters is elucidated for Br4–Br12, applying QTAIM dual-functional analysis (QTAIM-DFA). The asterisk (∗) emphasizes the existence of the bond critical point (BCP) on the interaction in question. Data from the fully optimized structures correspond to the static nature of the interactions. The intrinsic dynamic nature originates from those of the perturbed structures generated using the coordinates derived from the compliance constants for the interactions and the fully optimized structures. Th...
Source: Molecules - May 14, 2021 Category: Chemistry Authors: Satoko Hayashi Taro Nishide Eiichiro Tanaka Waro Nakanishi Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2937: 1,2,3-Triazoles as Biomimetics in Peptide Science
ntama Natural peptides are an important class of chemical mediators, essential for most vital processes. What limits the potential of the use of peptides as drugs is their low bioavailability and enzymatic degradation in vivo. To overcome this limitation, the development of new molecules mimicking peptides is of great importance for the development of new biologically active molecules. Therefore, replacing the amide bond in a peptide with a heterocyclic bioisostere, such as the 1,2,3-triazole ring, can be considered an effective solution for the synthesis of biologically relevant peptidomimetics. These 1,2,3-triazoles ...
Source: Molecules - May 14, 2021 Category: Chemistry Authors: Naima Agouram El Mestafa El Hadrami Abdeslem Bentama Tags: Review Source Type: research

Molecules, Vol. 26, Pages 2908: Dispersion of Carbon Nanotubes with “Green” Detergents
Molecules, Vol. 26, Pages 2908: Dispersion of Carbon Nanotubes with “Green” Detergents Molecules doi: 10.3390/molecules26102908 Authors: Kazuo Umemura Ryo Hamano Hiroaki Komatsu Takashi Ikuno Eko Siswoyo Solubilization of carbon nanotubes (CNTs) is a fundamental technique for the use of CNTs and their conjugates as nanodevices and nanobiodevices. In this work, we demonstrate the preparation of CNT suspensions with “green” detergents made from coconuts and bamboo as fundamental research in CNT nanotechnology. Single-walled CNTs (SWNTs) with a few carboxylic acid groups (3–5%) an...
Source: Molecules - May 14, 2021 Category: Chemistry Authors: Kazuo Umemura Ryo Hamano Hiroaki Komatsu Takashi Ikuno Eko Siswoyo Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2911: Theoretical Study on the Photo-Oxidation and Photoreduction of an Azetidine Derivative as a Model of DNA Repair
Roca-Sanjuán Photocycloreversion plays a central role in the study of the repair of DNA lesions, reverting them into the original pyrimidine nucleobases. Particularly, among the proposed mechanisms for the repair of DNA (6-4) photoproducts by photolyases, it has been suggested that it takes place through an intermediate characterized by a four-membered heterocyclic oxetane or azetidine ring, whose opening requires the reduction of the fused nucleobases. The specific role of this electron transfer step and its impact on the ring opening energetics remain to be understood. These processes are studied herein by mea...
Source: Molecules - May 14, 2021 Category: Chemistry Authors: Miriam Navarrete-Miguel Antonio Franc és-Monerris Miguel A. Miranda Virginie Lhiaubet-Vallet Daniel Roca-Sanju án Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2910: Sambucus Nigra Extracts –Natural Antioxidants and Antimicrobial Compounds
Molecules, Vol. 26, Pages 2910: Sambucus Nigra Extracts–Natural Antioxidants and Antimicrobial Compounds Molecules doi: 10.3390/molecules26102910 Authors: Anna Przybylska-Balcerek Tomasz Szablewski Lidia Szwajkowska-Michałek Dariusz Świerk Renata Cegielska-Radziejewska Zbigniew Krejpcio Elżbieta Suchowilska Łukasz Tomczyk Kinga Stuper-Szablewska Due to the health-promoting properties of elderberry fruits, which result from their rich chemical composition, this raw material is widely used in herbal medicine and the food industry. The aim of the study was to demonstrate the antibacterial act...
Source: Molecules - May 14, 2021 Category: Chemistry Authors: Anna Przybylska-Balcerek Tomasz Szablewski Lidia Szwajkowska-Micha łek Dariusz Świerk Renata Cegielska-Radziejewska Zbigniew Krejpcio El żbieta Suchowilska Łukasz Tomczyk Kinga Stuper-Szablewska Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2912: A Multimethodological Characterization of Cannabis sativa L. Inflorescences from Seven Dioecious Cultivars Grown in Italy: The Effect of Different Harvesting Stages
Mannina Anatoly P. Sobolev The chemical profile of the female inflorescence extracts from seven Cannabis sativa L. dioecious cultivars (Carmagnola, Fibranova, Eletta Campana, Antal, Tiborszallasi, Kompolti, and Tisza) was monitored at three harvesting stages (4, 14, and 30 September), reaching from the beginning of flowering to end of flowering/beginning of seed formation, using untargeted nuclear magnetic resonance (NMR) and targeted (ultra-high-performance liquid chromatography (UHPLC) and spectrophotometry) analyses. The tetrahydrocannabinol content was always below the legal limits (<0.6%) in all the ...
Source: Molecules - May 14, 2021 Category: Chemistry Authors: Mattia Spano Giacomo Di Matteo Cinzia Ingallina Bruno Botta Deborah Quaglio Francesca Ghirga Silvia Balducci Silvia Cammarone Enio Campiglia Anna Maria Giusti Giuliana Vinci Mattia Rapa Salvatore Ciano Luisa Mannina Anatoly P. Sobolev Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2909: A Concise Synthesis of a BODIPY-Labeled Tetrasaccharide Related to the Antitumor PI-88
Jose Cristobal Lopez A convergent synthetic route to a tetrasaccharide related to PI-88, which allows the incorporation of a fluorescent BODIPY-label at the reducing-end, has been developed. The strategy, which features the use of 1,2-methyl orthoesters (MeOEs) as glycosyl donors, illustrates the usefulness of suitably-designed BODIPY dyes as glycosyl labels in synthetic strategies towards fluorescently-tagged oligosaccharides. (Source: Molecules)
Source: Molecules - May 14, 2021 Category: Chemistry Authors: Juan Ventura Clara Uriel Ana M. Gomez Edurne Avellanal-Zaballa Jorge Ba ñuelos Inmaculada Garc ía-Moreno Jose Cristobal Lopez Tags: Article Source Type: research

Molecules, Vol. 26, Pages 2913: Preparation, Characterization, and In Vivo Evaluation of Amorphous Icaritin Nanoparticles Prepared by a Reactive Precipitation Technique
Liang Qipeng Yuan Icaritin is a promising anti-hepatoma drug that is currently being tested in a phase-III clinical trial. A novel combination of amorphization and nanonization was used to enhance the oral bioavailability of icaritin. Amorphous icaritin nanoparticles (AINs) were prepared by a reactive precipitation technique (RPT). Fourier transform infrared spectrometry was used to investigate the mechanism underlying the formation of amorphous nanoparticles. AINs were characterized via scanning electron microscopy, X-ray powder diffraction, and differential scanning calorimetry. Our prepared AINs were also evaluate...
Source: Molecules - May 14, 2021 Category: Chemistry Authors: Cheng Tang Kun Meng Xiaoming Chen Hua Yao Junqiong Kong Fusu Li Haiyan Yin Mingji Jin Hao Liang Qipeng Yuan Tags: Article Source Type: research