Molecules, Vol. 23, Pages 2646: A New Environmentally-Friendly Colorimetric Probe for Formaldehyde Gas Detection under Real Conditions
blo Gaviña A new environmentally-friendly, simple, selective and sensitive probe for detecting formaldehyde, based on naturally-occurring compounds, through either colorimetric or fluorescence changes, is described. The probe is able to detect formaldehyde in both solution and the gas phase with limits of detection of 0.24 mM and 0.7 ppm, respectively. The probe has been tested to study formaldehyde emission in contaminated real atmospheres. The supported probe is easy to use and to dispose, and is safe and suitable as an individual chemodosimeter. (Source: Molecules)
Source: Molecules - October 16, 2018 Category: Chemistry Authors: Carlos Mart ínez-Aquino Ana M. Costero Salvador Gil Pablo Gavi ña Tags: Communication Source Type: research

Molecules, Vol. 23, Pages 2647: Synthesis of Binderless ZK-4 Zeolite Microspheres at High Temperature
T. Jean Daou Binderless zeolite macrostructures in the form of ZK-4 microspheres were prepared using anion-exchange resin beads as shape-directing macrotemplates. The particles were synthesized under hydrothermal conditions at different temperatures and treatment times. The influence of the different synthesis parameters was investigated by X-ray diffraction, scanning electron microscopy, fluorescence X, nitrogen adsorption measurements and 29Si solid-state NMR. Fully crystalline spheres similar in size and shape to the original resin beads were obtained by a hydrothermal treatment at the highest temperatures (150&nda...
Source: Molecules - October 16, 2018 Category: Chemistry Authors: Elyssa G. Fawaz Darine A. Salam Habiba Nouali Irena Deroche Severinne Rigolet Benedicte Lebeau T. Jean Daou Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2648: Thermal Degradation Characteristic and Flame Retardancy of Polylactide-Based Nanobiocomposites
a Ray Polylactide (PLA) is one of the most widely used organic bio-degradable polymers. However, it has poor flame retardancy characteristics. To address this disadvantage, we performed melt-blending of PLA with intumescent flame retardants (IFRs; melamine phosphate and pentaerythritol) in the presence of organically modified montmorillonite (OMMT), which resulted in nanobiocomposites with excellent intumescent char formation and improved flame retardant characteristics. Triphenyl benzyl phosphonium (OMMT-1)- and tributyl hexadecyl phosphonium (OMMT-2)-modified MMTs were used in this study. Thermogravimetric analysis i...
Source: Molecules - October 16, 2018 Category: Chemistry Authors: Kuruma Malkappa Jayita Bandyopadhyay Suprakas Sinha Ray Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2649: Enrichment and Purification of the Bioactive Flavonoids from Flower of Abelmoschus manihot (L.) Medic Using Macroporous Resins
aoping Zhao Flower of Abelmoschus manihot (FAM) is clinically effective to treat chronic kidney disease (CKD) with a relatively high dosage. To improve the efficacy and the compliance of patients, macroporous resins were adopted to enrich and purify flavonoids from FAM, which are thought to be the major renal protective constituents in FAM. After screening six different kinds of macroporous resins, HPD-100 was selected for its great adsorption and desorption capacity. Then, orthogonal design tests were used to optimize parameters in the processes of impurity removal and flavonoids of FAM desorption on column chromatogr...
Source: Molecules - October 16, 2018 Category: Chemistry Authors: Zhenzhong Yang Haitao Tang Qing Shao Anna Rita Bilia Yi Wang Xiaoping Zhao Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2650: Determination of 2 ′-Fucosyllactose and Lacto-N-neotetraose in Infant Formula
Molecules, Vol. 23, Pages 2650: Determination of 2′-Fucosyllactose and Lacto-N-neotetraose in Infant Formula Molecules doi: 10.3390/molecules23102650 Authors: Sean Austin Denis Cuany Julien Michaud Bernd Diehl Begoña Casado Human milk oligosaccharides (HMO) are the third most abundant solid component of human milk. It is likely that they are responsible for at least some of the benefits experienced by breast-fed infants. Until recently HMO were absent from infant formula, but 2′-fucosyllactose (2′-FL) and lacto-N-neoteraose (LNnT) have recently become available as ingredients. The d...
Source: Molecules - October 16, 2018 Category: Chemistry Authors: Sean Austin Denis Cuany Julien Michaud Bernd Diehl Bego ña Casado Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2640: Novel Biobased Textile Fiber from Colombian Agro-Industrial Waste Fiber
Castro Herazo Robin Zuluaga Gallego Fique fibers, native to Colombia, are traditionally used for ropes and bags. In the extraction of long fibers for these purposes, the same amount of short fibers is generated; the short fibers are then discarded in the soil or in landfills. This agro-industrial waste is cellulose-rich and can be potentially developed into new biobased products. As an alternative use for these fibers, viscose regenerated fibers with potential applications in the textile industry were developed. Fique waste fibers were pulped (to produce fique cellulose pulp, FCP) using a 33 design of experiment (DOE...
Source: Molecules - October 15, 2018 Category: Chemistry Authors: Maria Camila Amaya Vergara Melissa Paola Cort és Gómez Maria Clara Restrepo Restrepo Jorge Manrique Henao Miguel Angel Pereira Soto Piedad Felisinda Ga ñán Rojo Cristina Isabel Castro Herazo Robin Zuluaga Gallego Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2641: Dragon ’s Blood Sap: Storage Stability and Antioxidant Activity
Molecules, Vol. 23, Pages 2641: Dragon’s Blood Sap: Storage Stability and Antioxidant Activity Molecules doi: 10.3390/molecules23102641 Authors: Juan D. Escobar Cristina Prieto Maria Pardo-Figuerez José M. Lagaron Currently, consumers are demanding additive-free, fresher, and more-natural products. Dragon’s Blood Sap (DBS), the deep red latex of the specie of tree Croton lechleri (Müll. Arg.), contains a high concentration of phenolic compounds of great interest for the food, pharmaceutical, and cosmetic industries. These chemical compounds are highly susceptible to deg...
Source: Molecules - October 15, 2018 Category: Chemistry Authors: Juan D. Escobar Cristina Prieto Maria Pardo-Figuerez Jos é M. Lagaron Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2642: Strong Tetrel Bonds: Theoretical Aspects and Experimental Evidence
ian In recent years, noncovalent interactions involving group-14 elements of the periodic table acting as a Lewis acid center (or tetrel-bonding interactions) have attracted considerable attention due to their potential applications in supramolecular chemistry, material science and so on. The aim of the present study is to characterize the geometry, strength and bonding properties of strong tetrel-bond interactions in some charge-assisted tetrel-bonded complexes. Ab initio calculations are performed, and the results are supported by the quantum theory of atoms in molecules (QTAIM) and natural bond orbital (NBO) approac...
Source: Molecules - October 15, 2018 Category: Chemistry Authors: Mehdi D. Esrafili Parisasadat Mousavian Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2643: Targeting of FGF-Signaling Re-Sensitizes Gastrointestinal Stromal Tumors (GIST) to Imatinib In Vitro and In Vivo
In conclusion, inhibition of FGFR signaling substantially inhibited the growth of IM-resistant GISTs in vitro and showed potent antitumor activity in an IM-resistant GIST model via the inhibition of proliferation, tumor growth, and the induction of apoptosis, thereby suggesting that patients with advanced and metastatic GISTs exhibiting IM resistance might benefit from therapeutic inhibition of FGFR signaling. (Source: Molecules)
Source: Molecules - October 15, 2018 Category: Chemistry Authors: Sergei Boichuk Aigul Galembikova Pavel Dunaev Ekaterina Micheeva Elena Valeeva Maria Novikova Natalya Khromova Pavel Kopnin Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2644: Dual QM and MM Approach for Computing Equilibrium Isotope Fractionation Factor of Organic Species in Solution
i Gao A dual QM and MM approach for computing equilibrium isotope effects has been described. In the first partition, the potential energy surface is represented by a combined quantum mechanical and molecular mechanical (QM/MM) method, in which a solute molecule is treated quantum mechanically, and the remaining solvent molecules are approximated classically by molecular mechanics. In the second QM/MM partition, differential nuclear quantum effects responsible for the isotope effect are determined by a statistical mechanical double-averaging formalism, in which the nuclear centroid distribution is sampled classically b...
Source: Molecules - October 15, 2018 Category: Chemistry Authors: Meiyi Liu Katelyn N. Youmans Jiali Gao Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2645: Physical and Antibacterial Properties of Sodium Alginate —Sodium Carboxymethylcellulose Films Containing Lactococcus lactis
This study of Lactococcus lactis-containing films has provided a new method and strategy for antibacterial preservation of foods. (Source: Molecules)
Source: Molecules - October 15, 2018 Category: Chemistry Authors: Jingsong Ye Donghui Ma Wen Qin Yaowen Liu Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2639: New Methods for the Comprehensive Analysis of Bioactive Compounds in Cannabis sativa L. (hemp)
a Benvenuti Cannabis sativa L. is a dioecious plant belonging to the Cannabaceae family. The main phytochemicals that are found in this plant are represented by cannabinoids, flavones, and terpenes. Some biological activities of cannabinoids are known to be enhanced by the presence of terpenes and flavonoids in the extracts, due to a synergistic action. In the light of all the above, the present study was aimed at the multi-component analysis of the bioactive compounds present in fibre-type C. sativa (hemp) inflorescences of different varieties by means of innovative HPLC and GC methods. In particular, the profiling of...
Source: Molecules - October 14, 2018 Category: Chemistry Authors: Federica Pellati Virginia Brighenti Johanna Sperlea Lucia Marchetti Davide Bertelli Stefania Benvenuti Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2634: The Positional Isomeric Effect on the Structural Diversity of Cd(II) Coordination Polymers, Using Flexible Positional Isomeric Ligands Containing Pyridyl, Triazole, and Carboxylate Fragments
s Iván Brito To systematically investigate the influence of the positional isomeric effect on the structures of polymer complexes, we prepared two new polymers containing the two positional isomers ethyl 5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazole-3-carboxylate (L1) and ethyl-5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylate (L2), as well as Cd(II) ions. The structures of the metal–organic frameworks were determined by a single crystal XRD analysis. The compound [Cd(L1)2·4H2O] (1), is a hydrogen bond-induced coordination polymer, whereas the compound [Cd(L2)4&middot...
Source: Molecules - October 14, 2018 Category: Chemistry Authors: Jonathan Cisterna Catherine Araneda Pilar Narea Alejandro C árdenas Jaime Llanos Iv án Brito Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2635: Near Infrared Fluorophore-Tagged Chloroquine in Plasmodium falciparum Diagnostic Imaging
In this study, SQR1-CQ was used to label live Plasmodium falciparum (P. falciparum) parasite cultures of varying sensitivities towards chloroquine. SQR1-CQ positively stained ring, mature trophozoite and schizont stages of both chloroquine–sensitive and chloroquine–resistant P. falciparum strains. In addition, SQR1-CQ exhibited significantly higher fluorescence, when compared to the commercial chloroquine-BODIPY (borondipyrromethene) conjugate CQ-BODIPY. We also achieved successful SQR1-CQ labelling of P. falciparum directly on thin blood smear preparations. Drug efficacy experiments measuring h...
Source: Molecules - October 14, 2018 Category: Chemistry Authors: Li Yan Chan Joshua Ding Wei Teo Kevin Shyong-Wei Tan Keitaro Sou Wei Lek Kwan Chi-Lik Ken Lee Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2636: Insight into the Influence of Cultivar Type, Cultivation Year, and Site on the Lignans and Related Phenolic Profiles, and the Health-Promoting Antioxidant Potential of Flax (Linum usitatissimum L.) Seeds
Lainé Ophélie Fliniaux François Mesnard Christophe Hano Flaxseeds are a functional food representing, by far, the richest natural grain source of lignans, and accumulate substantial amounts of other health beneficial phenolic compounds (i.e., flavonols, hydroxycinnamic acids). This specific accumulation pattern is related to their numerous beneficial effects on human health. However, to date, little data is available concerning the relative impact of genetic and geographic parameters on the phytochemical yield and composition. Here, the major influence of the cultivar over geographic paramete...
Source: Molecules - October 14, 2018 Category: Chemistry Authors: Laurine Garros Samantha Drouet Cyrielle Corbin C édric Decourtil Thibaud Fidel Julie Lebas de Lacour Emilie A. Leclerc Sullivan Renouard Duangjai Tungmunnithum Jo ël Doussot Bilal Haider Abassi Benoit Maunit Éric Lainé Oph élie Fliniaux Fran çois Me Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2638: Anti-Proliferative Effects of HBX-5 on Progression of Benign Prostatic Hyperplasia
Hyo-Jin An Benign prostatic hyperplasia (BPH), an age-dependent disorder with a prevalence percentage of 60% in the 60s, has been found to involve an androgenic hormone imbalance that causes confusion between cell apoptosis and proliferation. Because general medications for BPH treatment have undesirable side effects, the development of effective alternative medicines has been considered. HBX-5 is a newly developed formula with the aim of improving BPH, and is composed of nine medicinal herbs. BPH was induced in the rats by intramuscular injection of testosterone propionate after castration. Rats were divided into s...
Source: Molecules - October 14, 2018 Category: Chemistry Authors: Bo-Ram Jin Hyo-Jung Kim Sang-Kyun Park Myoung-Seok Kim Kwang-Ho Lee Il-Joo Yoon Hyo-Jin An Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2637: Pseudotrypsin: A Little-Known Trypsin Proteoform
on;ebela Trypsin is the protease of choice for protein sample digestion in proteomics. The most typical active forms are the single-chain β-trypsin and the two-chain α-trypsin, which is produced by a limited autolysis of β-trypsin. An additional intra-chain split leads to pseudotrypsin (ψ-trypsin) with three chains interconnected by disulfide bonds, which can be isolated from the autolyzate by ion-exchange chromatography. Based on experimental data with artificial substrates, peptides, and protein standards, ψ-trypsin shows altered kinetic properties, ther...
Source: Molecules - October 14, 2018 Category: Chemistry Authors: Zden ěk Perutka Marek Šebela Tags: Review Source Type: research

Molecules, Vol. 23, Pages 2628: Utilisation of Targeted Nanoparticle Photosensitiser Drug Delivery Systems for the Enhancement of Photodynamic Therapy
mse The cancer incidence world-wide has caused an increase in the demand for effective forms of treatment. One unconventional form of treatment for cancer is photodynamic therapy (PDT). PDT has 3 fundamental factors, namely a photosensitiser (PS) drug, light and oxygen. When a PS drug is administered to a patient, it can either passively or actively accumulate within a tumour site and once exposed to a specific wavelength of light, it is excited to produce reactive oxygen species (ROS), resulting in tumour destruction. However, the efficacy of ROS generation for tumour damage is highly dependent on the uptake of the PS...
Source: Molecules - October 13, 2018 Category: Chemistry Authors: Cherie Ann Kruger Heidi Abrahamse Tags: Review Source Type: research

Molecules, Vol. 23, Pages 2630: Structure-Based Identification of Potent Natural Product Chemotypes as Cannabinoid Receptor 1 Inverse Agonists
Robert J. Doerksen Natural products are an abundant source of potential drugs, and their diversity makes them a rich and viable prospective source of bioactive cannabinoid ligands. Cannabinoid receptor 1 (CB1) antagonists are clinically established and well documented as potential therapeutics for treating obesity, obesity-related cardiometabolic disorders, pain, and drug/substance abuse, but their associated CNS-mediated adverse effects hinder the development of potential new drugs and no such drug is currently on the market. This limitation amplifies the need for new agents with reduced or no CNS-mediated side eff...
Source: Molecules - October 13, 2018 Category: Chemistry Authors: Pankaj Pandey Kuldeep K. Roy Haining Liu Guoyi Ma Sara Pettaway Walid F. Alsharif Rama S. Gadepalli John M. Rimoldi Christopher R. McCurdy Stephen J. Cutler Robert J. Doerksen Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2629: Enhancing 2-Ketogluconate Production of Pseudomonas plecoglossicida JUIM01 by Maintaining the Carbon Catabolite Repression of 2-Ketogluconate Metabolism
Xianghui Qi 2-Ketogluconate (2KGA) is an organic acid that is important for pharmaceutical, cosmetic, and environmental applications. Pseudomonas plecoglossicida JUIM01 strain is an important industrial 2KGA producer in China. In this paper, we found that P. plecoglossicida JUIM01 could convert glucose to 2KGA extracellularly, and the formed 2KGA was subsequently consumed after glucose was exhausted during the fermentation process. Experiments of glucose and 2KGA supplementation during fermentation process revealed that, only when glucose was exhausted, the strain started to consume the product 2KGA. Then, the mechanis...
Source: Molecules - October 13, 2018 Category: Chemistry Authors: Wenjing Sun Tjahjasari Alexander Zaiwei Man Fangfang Xiao Fengjie Cui Xianghui Qi Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2631: Anti-Inflammatory Activities of Compounds Isolated from the Rhizome of Anemarrhena asphodeloides
n Chunzhi Zhang Fifteen unreported compounds in Anemarrhena asphodeloides, iriflophene (3), hostaplantagineoside C (7), tuberoside G (8), spicatoside B (9), platycodin D (14), platycoside A (15), platycodin D2 (16), polygalacin D2 (17), platycodin D3 (18), isovitexin (20), vitexin (21), 3,4-dihydroxyallylbenzene-3-O-α-l-rhamnopyranosyl(1→6)-β-d-glucopyranoside (22), iryptophan (24), adenosine (25), α-d-Glucose monoallyl ether (26), together with eleven known compounds (1, 2, 4–6, 10–13, 19 and 23), were isolated from the rhizomes of Ane...
Source: Molecules - October 13, 2018 Category: Chemistry Authors: Zeyuan Wang Jianfeng Cai Qing Fu Lingping Cheng Lehao Wu Weiyue Zhang Yan Zhang Yu Jin Chunzhi Zhang Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2632: Unsymmetrical Spiroalkanedithiols Having Mixed Fluorinated and Alkyl Tailgroups of Varying Length: Film Structure and Interfacial Properties
z Lee A custom-designed series of unsymmetrical spiroalkanedithiols having tailgroups comprised of a terminally fluorinated chain and a hydrocarbon chain of varying lengths were synthesized and used to prepare self-assembled monolayers (SAMs) on gold substrates. The specific structure of the adsorbates was of the form [CH3(CH2)n][CF3(CF2)7(CH2)8]C[CH2SH]2, where n = 7, 9, and 15 (designated as F8H10-C10, F8H10-C12, and F8H10-C18, respectively). The influence of the length of the hydrocarbon chain in the bidentate dithiol on the structure and interfacial properties of the monolayer was explored. A structurally analog...
Source: Molecules - October 13, 2018 Category: Chemistry Authors: Chinwangso Hill Marquez Lee Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2633: A Central Edge Selection Based Overlapping Community Detection Algorithm for the Detection of Overlapping Structures in Protein –Protein Interaction Networks
Molecules, Vol. 23, Pages 2633: A Central Edge Selection Based Overlapping Community Detection Algorithm for the Detection of Overlapping Structures in Protein–Protein Interaction Networks Molecules doi: 10.3390/molecules23102633 Authors: Fang Zhang Anjun Ma Zhao Wang Qin Ma Bingqiang Liu Lan Huang Yan Wang Overlapping structures of protein–protein interaction networks are very prevalent in different biological processes, which reflect the sharing mechanism to common functional components. The overlapping community detection (OCD) algorithm based on central node selection (CNS) is a ...
Source: Molecules - October 13, 2018 Category: Chemistry Authors: Fang Zhang Anjun Ma Zhao Wang Qin Ma Bingqiang Liu Lan Huang Yan Wang Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2627: In-Silico Prediction and Modeling of the Quorum Sensing LuxS Protein and Inhibition of AI-2 Biosynthesis in Aeromonas hydrophila
iangmin Lin luxS is conserved in several bacterial species, including A. hydrophila, which causes infections in prawn, fish, and shrimp, and is consequently a great risk to the aquaculture industry and public health. luxS plays a critical role in the biosynthesis of the autoinducer-2 (AI-2), which performs wide-ranging functions in bacterial communication, and especially in quorum sensing (QS). The prediction of a 3D structure of the QS-associated LuxS protein is thus essential to better understand and control A. hydrophila pathogenecity. Here, we predicted the structure of A. hydrophila LuxS and characterized it struc...
Source: Molecules - October 12, 2018 Category: Chemistry Authors: Farman Ali Zujie Yao Wanxin Li Lina Sun Wenxiong Lin Xiangmin Lin Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2616: Role of Extracellular Loops and Membrane Lipids for Ligand Recognition in the Neuronal Adenosine Receptor Type 2A: An Enhanced Sampling Simulation Study
olo Carloni Human G-protein coupled receptors (GPCRs) are important targets for pharmaceutical intervention against neurological diseases. Here, we use molecular simulation to investigate the key step in ligand recognition governed by the extracellular domains in the neuronal adenosine receptor type 2A (hA2AR), a target for neuroprotective compounds. The ligand is the high-affinity antagonist (4-(2-(7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-ylamino)ethyl)phenol), embedded in a neuronal membrane mimic environment. Free energy calculations, based on well-tempered metadynamics, reproduce the experiment...
Source: Molecules - October 12, 2018 Category: Chemistry Authors: Ruyin Cao Alejandro Giorgetti Andreas Bauer Bernd Neumaier Giulia Rossetti Paolo Carloni Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2617: Lichen Xanthones as Models for New Antifungal Agents
iacute;lia Sousa Madalena M. M. Pinto Due to the emergence of multidrug-resistant pathogenic microorganisms, the search for new antimicrobial compounds plays an important role in current medicinal chemistry research. Inspired by lichen antimicrobial xanthones, a series of novel chlorinated xanthones was prepared using five chlorination methods (Methods A–E) to obtain different patterns of substitution in the xanthone scaffold. All the synthesized compounds were evaluated for their antimicrobial activity. Among them, 3-chloro-4,6-dimethoxy-1-methyl-9H-xanthen-9-one 15 showed promising antibacterial activ...
Source: Molecules - October 12, 2018 Category: Chemistry Authors: Diana I. S. P. Resende Patr ícia Pereira-Terra Ângela S. Inácio Paulo Martins da Costa Eug énia Pinto Em ília Sousa Madalena M. M. Pinto Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2618: The Molecular Properties of Peanut Protein: Impact of Temperature, Relative Humidity and Vacuum Packaging during Storage
This study aimed to investigate the variation of molecular functional properties of peanut protein isolate (PPI) over the storage process and reveal the correlation between the PPI secondary structure and properties in the storage procedure. After storage, the molecular properties of PPI changed significantly (p < 0.05). Extending storage time resulted in a decrease in free sulfhydryl content, fluorescence intensity, surface hydrophobicity and emulsifying properties, which was accompanied by an increase in protein particle size. The results of infrared spectroscopy suggested the content decline of &alpha...
Source: Molecules - October 12, 2018 Category: Chemistry Authors: Xiaotong Sun Hua Jin Yangyang Li Haiying Feng Chunhong Liu Jing Xu Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2619: Unusual Polycyclic Fused Product by Oxidative Enzymatic Dimerisation of 5-methylpyrogallol Catalysed by Horseradish Peroxidase/H2O2
Sylvain Antoniotti During investigations on the peroxidase-catalysed oxidation of polyhydroxylated monoaromatic substrates such as 5-methylpyrogallol, we observed a spectacular dimerisation proceeding by dearomatisation in contrast with most common reaction patterns involving phenolics oxidation and dimerization. A tetracyclic fused product featuring an unusual 2-oxatetracyclo [6.3.1.01,6.04,12] dodecan-3-one core was obtained and characterized by combined NMR techniques and high resolution mass spectroscopy (HRMS). This is an example of a spontaneous cascade triggered by a simple enzymatic reaction that could provide ...
Source: Molecules - October 12, 2018 Category: Chemistry Authors: H élène Bouges Kevin Calabro Olivier P. Thomas Sylvain Antoniotti Tags: Communication Source Type: research

Molecules, Vol. 23, Pages 2620: Essential Oils of Five Baccharis Species: Investigations on the Chemical Composition and Biological Activities
lo V. Farago Ikhlas A. Khan This paper provides a comparative account of the essential oil chemical composition and biological activities of five Brazilian species of Baccharis (Asteraceae), namely B. microdonta, B. pauciflosculosa, B. punctulata, B. reticularioides, and B. sphenophylla. The chemical compositions of three species (B. pauciflosculosa, B. reticularioides, and B. sphenophylla) are reported for the first time. Analyses by GC/MS showed notable differences in the essential oil compositions of the five species. α-Pinene was observed in the highest concentration (24.50%) in B. reticularioides. ...
Source: Molecules - October 12, 2018 Category: Chemistry Authors: Jane M. Budel Mei Wang Vijayasankar Raman Jianping Zhao Shabana I. Khan Junaid U. Rehman Natascha Techen Babu Tekwani Luciane M. Monteiro Gustavo Heiden In ês J. M. Takeda Paulo V. Farago Ikhlas A. Khan Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2621: Effect of High Pressure Treatment on Poly(lactic acid)/Nano –TiO2 Composite Films
Molecules, Vol. 23, Pages 2621: Effect of High Pressure Treatment on Poly(lactic acid)/Nano–TiO2 Composite Films Molecules doi: 10.3390/molecules23102621 Authors: Hai Chi Wenhui Li Chunli Fan Cheng Zhang Lin Li Yuyue Qin Minglong Yuan The microstructure, thermal properties, mechanical properties and oxygen and water vapor barrier properties of a poly(lactic acid) (PLA)/nano-TiO2 composite film before and after high pressure treatment were studied. Structural analysis showed that the functional group structure of the high pressure treated composite film did not change. It was found that the high pr...
Source: Molecules - October 12, 2018 Category: Chemistry Authors: Hai Chi Wenhui Li Chunli Fan Cheng Zhang Lin Li Yuyue Qin Minglong Yuan Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2622: Monitoring Protein Dynamics in Protein O-Mannosyltransferase Mutants In Vivo by Tandem Fluorescent Protein Timers
Sabine Strahl For proteins entering the secretory pathway, a major factor contributing to maturation and homeostasis is glycosylation. One relevant type of protein glycosylation is O-mannosylation, which is essential and evolutionarily-conserved in fungi, animals, and humans. Our recent proteome-wide study in the eukaryotic model organism Saccharomyces cerevisiae revealed that more than 26% of all proteins entering the secretory pathway receive O-mannosyl glycans. In a first attempt to understand the impact of O-mannosylation on these proteins, we took advantage of a tandem fluorescent timer (tFT) reporter to monitor d...
Source: Molecules - October 12, 2018 Category: Chemistry Authors: Joan Castells-Ballester Ewa Zatorska Matthias Meurer Patrick Neubert Anke Metschies Michael Knop Sabine Strahl Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2623: Qualitative and Quantitative Analysis of the Major Constituents in WLJ Herbal Tea Using Multiple Chromatographic Techniques
This study aims to investigate the chemical composition of one of the best-selling and famous brand of beverage in China, Wanglaoji Herbal Tea (WLJHT), via a full component quantitative analysis. In this paper, a total of thirty-two representative constituents were identified or tentatively characterized using ultra-high performance liquid chromatography coupled with quadrupole tandem time-of-flight mass spectrometry (UPLC-Q-TOF-MS). Moreover, the quantitative analyses of fourteen constituents were performed by high performance liquid chromatography with a triple quadruple tandem mass spectrometry (HPLC-MS/MS) method and s...
Source: Molecules - October 12, 2018 Category: Chemistry Authors: Chao-Zhan Lin Run-Jing Zhang Yu-Feng Yao Xiao-Dan Huang Rong-Bo Zheng Bo-Jian Wu Chen-Chen Zhu Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2624: Synthesis and Structural Identification of a Biaryl Ether-Linked Zearalenone Dimer
as Koch A new dimer of the food-relevant mycotoxin zearalenone was isolated after electrochemical and chemical oxidation. The structure was determined as a 16-O-15′-biaryl ether-linked dimer based on spectroscopic analyses (1H- and 13C-NMR, COSY, HMBC, and HSQCAD) and high-resolution mass spectrometry analysis (Q-TOF). (Source: Molecules)
Source: Molecules - October 12, 2018 Category: Chemistry Authors: Julia Keller Luisa Hantschke Hajo Haase Matthias Koch Tags: Technical Note Source Type: research

Molecules, Vol. 23, Pages 2625: The Application of Supercritical Fluid Extraction in Phenolic Compounds Isolation from Natural Plant Materials
ój The separation of phenolic compounds by supercritical fluid extraction has been widely studied throughout the last two decades. This is evidenced by a number of publications and articles. Supercritical fluid extraction (SFE) has become thus the effective method of separating the mentioned group of compounds. On the other hand, SFE is a beneficial approach in plant waste materials utilization and reduction of environmental burdens caused by the wastes. The aim of the study is to gather and systematize available information on the phenolic compounds separation that have been reported so far as well as to evalua...
Source: Molecules - October 12, 2018 Category: Chemistry Authors: Katarzyna Ty śkiewicz Marcin Konkol Edward R ój Tags: Review Source Type: research

Molecules, Vol. 23, Pages 2626: Biodetoxification of Phenolic Inhibitors from Lignocellulose Pretreatment using Kurthia huakuii LAM0618T and Subsequent Lactic Acid Fermentation
iyong Ruan Nan Peng Phenolic inhibitors generated during alkaline pretreatment of lignocellulosic biomasses significantly hinder bacterial growth and subsequent biofuel and biochemical production. Water rinsing is an efficient method for removing these compounds. Nevertheless, this method often generates a great amount of wastewater, and leads to the loss of solid fiber particles and fermentable sugars. Kurthia huakuii LAM0618T, a recently identified microorganism, was herein shown to be able to efficiently transform phenolic compounds (syringaldehyde, hydroxybenzaldehyde, and vanillin) into less toxic acids. Taking ...
Source: Molecules - October 12, 2018 Category: Chemistry Authors: Yuejiao Xie Qing Hu Guodong Feng Xu Jiang Jinlong Hu Mingxiong He Guoquan Hu Shumiao Zhao Yunxiang Liang Zhiyong Ruan Nan Peng Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2613: Biodegradation of 7-Hydroxycoumarin in Pseudomonas mandelii 7HK4 via ipso-Hydroxylation of 3-(2,4-Dihydroxyphenyl)-propionic Acid
Meškys A gene cluster, denoted as hcdABC, required for the degradation of 3-(2,4-dihydroxyphenyl)-propionic acid has been cloned from 7-hydroxycoumarin-degrading Pseudomonas mandelii 7HK4 (DSM 107615), and sequenced. Bioinformatic analysis shows that the operon hcdABC encodes a flavin-binding hydroxylase (HcdA), an extradiol dioxygenase (HcdB), and a putative hydroxymuconic semialdehyde hydrolase (HcdC). The analysis of the recombinant HcdA activity in vitro confirms that this enzyme belongs to the group of ipso-hydroxylases. The activity of the proteins HcdB and HcdC has been analyzed by using recombinant Esche...
Source: Molecules - October 12, 2018 Category: Chemistry Authors: Ar ūnas Krikštaponis Rolandas Me škys Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2614: Reading More than Histones: The Prevalence of Nucleic Acid Binding among Reader Domains
elman The eukaryotic genome is packaged into the cell nucleus in the form of chromatin, a complex of genomic DNA and histone proteins. Chromatin structure regulation is critical for all DNA templated processes and involves, among many things, extensive post-translational modification of the histone proteins. These modifications can be “read out” by histone binding subdomains known as histone reader domains. A large number of reader domains have been identified and found to selectively recognize an array of histone post-translational modifications in order to target, retain, or regulate chrom...
Source: Molecules - October 12, 2018 Category: Chemistry Authors: Tyler M. Weaver Emma A. Morrison Catherine A. Musselman Tags: Review Source Type: research

Molecules, Vol. 23, Pages 2615: Amide Bond Activation of Biological Molecules
This article also discusses some of the applications of amide bond activation approaches in the sequencing of proteins and the synthesis of peptide acids, esters, amides, and thioesters. (Source: Molecules)
Source: Molecules - October 12, 2018 Category: Chemistry Authors: Sriram Mahesh Kuei-Chien Tang Monika Raj Tags: Review Source Type: research

Molecules, Vol. 23, Pages 2610: Steric Effect of Antioxidant Diels-Alder-Type Adducts: A Comparison of Sanggenon C with Sanggenon D
In conclusion, both sanggenons may undergo multiple pathways (e.g., ET and Fe2+-binding) to protect MSCs against oxidative stress. In the mere ET aspect, sanggenon D possesses a higher level than sanggenon C, while in multi-pathway-based radical-scavenging, Fe2+-binding, and cytoprotection aspects, sanggenon C is more active than sanggenon D. These discrepancies can conclusively be attributed to the steric effect. (Source: Molecules)
Source: Molecules - October 11, 2018 Category: Chemistry Authors: Xican Li Zhenxing Ren Zimei Wu Zhen Fu Hong Xie Langyu Deng Xiaohua Jiang Dongfeng Chen Tags: Communication Source Type: research

Molecules, Vol. 23, Pages 2611: SIKVAV-Modified Chitosan Hydrogel as a Skin Substitutes for Wound Closure in Mice
This study investigated the effects of a SIKVAV (Ser-Ile-Lys-Val-Ala-Val) peptide-modified chitosan hydrogel on skin wound healing. Hematoxylin and eosin (H&E) staining demonstrated that the SIKVAV-modified chitosan hydrogel accelerated the re-epithelialization of wounds compared with that seen in the negative and positive controls. Masson’s trichrome staining showed that more collagen fibers were deposited in the skin wounds treated with the SIKVAV-modified chitosan hydrogel than in the negative and positive controls. Immunohistochemistry assays demonstrated that more myofibroblasts were deposited and mo...
Source: Molecules - October 11, 2018 Category: Chemistry Authors: Xionglin Chen Xiaoming Cao He Jiang Xiangxin Che Xiaoyuan Xu Baicheng Ma Jie Zhang Tao Huang Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2612: Enzyme-Site Blocking Combined with Optimization of Molecular Docking for Efficient Discovery of Potential Tyrosinase Specific Inhibitors from Puerariae lobatae Radix
In this study, we developed a strategy based on tyrosinase-site blocking ultrafiltration integrated with HPLC-QTOF-MS/MS and optimized molecular docking to screen tyrosinase inhibitors from Puerariae lobatae Radix extract. Under optimized ultrafiltration parameters, we previously used kojic acid, a known tyrosinase inhibitor, to block the tyrosinase active site in order to eliminate false-positive results. Using this strategy, puerarin, mirificin, daidzin and genistinc were successfully identified as potential ligands, and after systematic evaluation by several docking programs, the rank of the identified compounds predict...
Source: Molecules - October 11, 2018 Category: Chemistry Authors: Haichun Liu Yitian Zhu Ting Wang Jin Qi Xuming Liu Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2599: Aucuba japonica Extract and Aucubin Prevent Desiccating Stress-Induced Corneal Epithelial Cell Injury and Improve Tear Secretion in a Mouse Model of Dry Eye Disease
In this study, we investigated the therapeutic effects of an ethanolic extract of Aucuba japonica (AJE) and its bioactive compound, aucubin, on dry eye disease. The human corneal cells were exposed to desiccation stress induced by exposing cells to air, so that viability was decreased. On the other hand, pre-treatment of AJE and aucubin restored cell survival rate depending on the dose under the dry condition. This result was confirmed again by terminal deoxynucleotidyl transferase dUTP nick end labeling (TUNEL) staining. The mRNA expression of inflammatory molecules was reduced by the pretreatment of AJE and aucubin under...
Source: Molecules - October 11, 2018 Category: Chemistry Authors: Wan Seok Kang Eunsoo Jung Junghyun Kim Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2600: Isopsoralen Enhanced Osteogenesis by Targeting AhR/ER α
Molecules, Vol. 23, Pages 2600: Isopsoralen Enhanced Osteogenesis by Targeting AhR/ERα Molecules doi: 10.3390/molecules23102600 Authors: Luna Ge Yazhou Cui Kai Cheng Jinxiang Han Isopsoralen (IPRN), one of the main effective ingredients in Psoralea corylifolia Linn, has a variety of biological effects, including antiosteoporotic effects. In vivo studies show that IPRN can increase bone strength and trabecular bone microstructure in a sex hormone deficiency-induced osteoporosis model. However, the mechanism underlying this osteogenic potential has not been investigated in detail. In the present study, we...
Source: Molecules - October 11, 2018 Category: Chemistry Authors: Luna Ge Yazhou Cui Kai Cheng Jinxiang Han Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2601: Astaxanthin-Loaded Nanostructured Lipid Carriers for Preservation of Antioxidant Activity
tourneur Soledad Rubio Virginie Gueguen Graciela Pavon-Djavid Astaxanthin is a xanthophyll carotenoid showing efficient scavenging ability and represents an interesting candidate in the development of new therapies for preventing and treating oxidative stress-related pathologies. However, its high lipophilicity and thermolability often limits its antioxidant efficacy in human applications. Here, we developed a formulation of lipid carriers to protect astaxanthin’s antioxidant activity. The synthesis of natural astaxanthin-loaded nanostructured lipid carriers using a green process with sunflower oil ...
Source: Molecules - October 11, 2018 Category: Chemistry Authors: Violeta Rodriguez-Ruiz Jos é Ángel Salatti-Dorado Abolfazl Barzegari Alba Nicolas-Boluda Amel Houaoui Carmen Caballo Noelia Caballero-Casero Dolores Sicilia Jorge Bastias Venegas Emmanuel Pauthe Yadollah Omidi Didier Letourneur Soledad Rubio Virginie Gu Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2602: Kappa Opioid Receptor Agonist Mesyl Sal B Attenuates Behavioral Sensitization to Cocaine with Fewer Aversive Side-Effects than Salvinorin A in Rodents
In conclusion, Mesyl Sal B possesses anti-cocaine effects, is longer acting in vivo and has fewer side-effects when compared to Sal A, however, the antinociceptive effects are limited. (Source: Molecules)
Source: Molecules - October 11, 2018 Category: Chemistry Authors: Bronwyn M. Kivell Kelly F. Paton Nitin Kumar Aashish S. Morani Aimee Culverhouse Amy Shepherd Susan A. Welsh Andrew Biggerstaff Rachel S. Crowley Thomas E. Prisinzano Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2603: Correlation of Paraoxonase-1 with the Severity of Crohn ’s Disease
Molecules, Vol. 23, Pages 2603: Correlation of Paraoxonase-1 with the Severity of Crohn’s Disease Molecules doi: 10.3390/molecules23102603 Authors: Katarzyna Szczeklik Tomasz Mach Dorota Cibor Danuta Owczarek Jacek Sapa Monika Papież Jolanta Pytko-Polończyk Wirginia Krzyściak Diagnostics of Crohn’s disease (CD) requires noninvasive biomarkers facilitating early detection and differentiation of the disease. Therefore, in this study, we aimed to determine the relationship between paraoxonase-1 (PON-1), the severity of CD, oxidative stress, and inflammation in CD. The CD activity i...
Source: Molecules - October 11, 2018 Category: Chemistry Authors: Katarzyna Szczeklik Tomasz Mach Dorota Cibor Danuta Owczarek Jacek Sapa Monika Papie ż Jolanta Pytko-Polo ńczyk Wirginia Krzy ściak Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2604: Synthesis, Characterization, and Antifungal Activity of Pyridine-Based Triple Quaternized Chitosan Derivatives
In this study, a series of triple quaternized chitosan derivatives, including 6-O-[(2-hydroxy-3-trimethylammonium)propyl]-2-N-(1-pyridylmethyl-2-ylmethyl)-N,N-dimethyl chitosan chloride (7), 6-O-[(2-hydroxy-3-trimethylammonium)propyl]-2-N-(1-pyridylmethyl-3-yl- methyl)-N,N-dimethyl chitosan chloride (8), and 6-O-[(2-hydroxy-3-trimethylammonium)propyl]- 2-N-(1-pyridylmethyl-4-ylmethyl)-N,N-dimethyl chitosan chloride (9) were successfully designed and synthesized via reacting epoxypropyl trimethylammonium chloride with the N-pyridinium double quaternized chitosan derivatives. Detailed structural characterization was carried ...
Source: Molecules - October 11, 2018 Category: Chemistry Authors: Lijie Wei Yuan Chen Wenqiang Tan Qing Li Guodong Gu Fang Dong Zhanyong Guo Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2605: Insulin Mimetic Properties of Extracts Prepared from Bellis perennis
In conclusion, Bellis perennis extracts reduce blood glucose levels and are therefore suitable candidates for application in food supplements for the prevention and accompanying therapy of T2DM. (Source: Molecules)
Source: Molecules - October 11, 2018 Category: Chemistry Authors: Renate Haselgr übler Verena Stadlbauer Flora St übl Bettina Schwarzinger Ieva Rudzionyte Markus Himmelsbach Marcus Iken Julian Weghuber Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2606: Questions of Mirror Symmetry at the Photoexcited and Ground States of Non-Rigid Luminophores Raised by Circularly Polarized Luminescence and Circular Dichroism Spectroscopy: Part 1. Oligofluorenes, Oligophenylenes, Binaphthyls and Fused Aromatics
We report experimental tests of whether non-rigid, π-conjugated luminophores in the photoexcited (S1) and ground (S0) states dissolved in achiral liquids are mirror symmetrical by means of circularly polarized luminescence (CPL) and circular dichroism (CD) spectroscopy. Herein, we chose ten oligofluorenes, eleven linear/cyclic oligo-p-arylenes, three binaphthyls and five fused aromatics, substituted with alkyl, alkoxy, phenyl and phenylethynyl groups and also with no substituents. Without exception, all these non-rigid luminophores showed negative-sign CPL signals in the UV-visible region, suggesting temporal ge...
Source: Molecules - October 11, 2018 Category: Chemistry Authors: Michiya Fujiki Julian R. Koe Takashi Mori Yoshihiro Kimura Tags: Article Source Type: research

Molecules, Vol. 23, Pages 2607: Aminobenzosuberone Scaffold as a Modular Chemical Tool for the Inhibition of Therapeutically Relevant M1 Aminopeptidases
ine Tarnus Sébastien Albrecht The synthesis of racemic substituted 7-amino-5,7,8,9-tetrahydrobenzocyclohepten-6-one hydrochlorides was optimized to enhance reproducibility and increase the overall yield. In order to investigate their specificity, series of enzyme inhibition assays were carried out against a diversity of proteases, covering representative members of aspartic, cysteine, metallo and serine endopeptidases and including eight members of the monometallic M1 family of aminopeptidases as well as two members of the bimetallic M17 and M28 aminopeptidase families. This aminobenzosuberone scaffold indeed ...
Source: Molecules - October 11, 2018 Category: Chemistry Authors: Emmanuel Salomon Marjorie Schmitt Anil Kumar Marapaka Athanasios Stamogiannos Germain Revelant C éline Schmitt Sarah Alavi Isabelle Florent Anthony Addlagatta Efstratios Stratikos C éline Tarnus S ébastien Albrecht Tags: Article Source Type: research