Molecules, Vol. 23, Pages 3329: RNA –Protein Interactions Prevent Long RNA Duplex Formation: Implications for the Design of RNA-Based Therapeutics
Molecules, Vol. 23, Pages 3329: RNA–Protein Interactions Prevent Long RNA Duplex Formation: Implications for the Design of RNA-Based Therapeutics Molecules doi: 10.3390/molecules23123329 Authors: Eckart Bindewald Lisheng Dai Wojciech K. Kasprzak Taejin Kim Shuo Gu Bruce A. Shapiro Cells frequently simultaneously express RNAs and cognate antisense transcripts without necessarily leading to the formation of RNA duplexes. Here, we present a novel transcriptome-wide experimental approach to ascertain the presence of accessible double-stranded RNA structures based on sequencing of RNA fragments longer th...
Source: Molecules - December 15, 2018 Category: Chemistry Authors: Eckart Bindewald Lisheng Dai Wojciech K. Kasprzak Taejin Kim Shuo Gu Bruce A. Shapiro Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3328: Tetra-glucopyranosyl Diterpene ent-Kaur-16-en-19-oic Acid and ent-13(S)-Hydroxyatisenoic Acid Derivatives from a Commercial Extract of Stevia rebaudiana (Bertoni) Bertoni
Khan James McChesney Stevia rebaudiana and its diterpene glycosides are one of the main focuses of food companies interested in developing novel zero calorie sugar substitutes since the recognition of steviol glycosides as Generally Recognized as Safe (GRAS) by the United States Food and Drug Administration. Rebaudioside A, one of the major steviol glycosides of the leaves is more than 200 times sweeter than sucrose. However, its lingering aftertaste makes it less attractive as a table-top sweetener, despite its human health benefits. Herein, we report the purification of two novel tetra-glucopyranosyl diterpene gly...
Source: Molecules - December 15, 2018 Category: Chemistry Authors: Wilmer Perera Ion Ghiviriga Douglas Rodenburg Kamilla Alves Frank Wiggers Charles Hufford Frank Fronczek Mohamed Ibrahim Ilias Muhammad Bharathi Avula Ikhlas Khan James McChesney Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3330: Metabolomics of Solanum lycopersicum Infected with Phytophthora infestans Leads to Early Detection of Late Blight in Asymptomatic Plants
iara Carazzone Tomato crops suffer attacks of various pathogens that cause large production losses. Late blight caused by Phytophthora infestans is a devastating disease in tomatoes because of its difficultly to control. Here, we applied metabolomics based on liquid chromatography–mass spectrometry (LC-MS) and metabolic profiling by matrix-assisted laser desorption ionization mass spectrometry (MALDI-MS) in combination with multivariate data analysis in the early detection of late blight on asymptomatic tomato plants and to discriminate infection times of 4, 12, 24, 36, 48, 60, 72 and 96 h after inoculati...
Source: Molecules - December 15, 2018 Category: Chemistry Authors: Paula Galeano Garcia F ábio Neves dos Santos Samantha Zanotta Marcos Nogueira Eberlin Chiara Carazzone Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3331: Deuterated Arachidonic Acids Library for Regulation of Inflammation and Controlled Synthesis of Eicosanoids: An In Vitro Study
In this study we analyzed the relative activity of human recombinant enzymes COX-2, 5-LOX, and 15-LOX-2 using a library of arachidonic acids variably deuterated at the bis-allylic (C7, C10, and C13) positions. Kinetic parameters (KM, Vmax) and isotope effects calculated from kH/kD for seven deuterated arachidonic acid derivatives were obtained. Spectroscopic methods have shown that deuteration at the 13th position dramatically affects the kinetic parameters of COX-2 and 15-LOX-2. The activity of 5-LOX was evaluated by measuring hydroxyeicosatetraenoic acids (8-HETE and 5-HETE) using ultra-performance liquid chromatography-...
Source: Molecules - December 15, 2018 Category: Chemistry Authors: Dmitry V. Chistyakov Ivan S. Filimonov Nadezhda V. Azbukina Sergei V. Goriainov Viktor V. Chistyakov Maksim A. Fomich Andrei V. Bekish Vadim V. Shmanai Marina G. Sergeeva Mikhail S. Shchepinov Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3332: Quantitative Assessment of rPM6 for Fluorine- and Chlorine-Containing Metal Complexes: Comparison with Experimental, First-Principles, and Other Semiempirical Results
We report a reparameterization of PM6 parameters for fluorine and chlorine using our training set containing transition metal complexes. Spin unrestricted calculations with the resulting rPM6 (UrPM6) were examined quantitatively using two test sets: (i) the description of magnetic interactions in 25 dinuclear metal complexes and (ii) the prediction of barrier heights and reaction energies for epoxidation and fluorination reactions catalyzed by high-valent manganese-oxo species. The conventional UPM6 and UPM7 methods were also evaluated for comparison on the basis of either experimental or computational (the UB3LYP/SVP leve...
Source: Molecules - December 15, 2018 Category: Chemistry Authors: Toru Saito Manami Fujiwara Yu Takano Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3326: Development of an LC –Tandem Mass Spectrometry Method for the Quantitative Analysis of Hercynine in Human Whole Blood
Molecules, Vol. 23, Pages 3326: Development of an LC–Tandem Mass Spectrometry Method for the Quantitative Analysis of Hercynine in Human Whole Blood Molecules doi: 10.3390/molecules23123326 Authors: Salvatore Sotgia Rhys B. Murphy Angelo Zinellu David Elliot Panagiotis Paliogiannis Gerard Aimè Pinna Ciriaco Carru Arduino A. Mangoni Given that the peculiar redox behavior of ergothioneine involves a rapid regeneration process, the measurement of its precursor and redox metabolite hercynine could be particularly useful in assessing its role in oxidative stress or other biological processes. ...
Source: Molecules - December 14, 2018 Category: Chemistry Authors: Salvatore Sotgia Rhys B. Murphy Angelo Zinellu David Elliot Panagiotis Paliogiannis Gerard Aim è Pinna Ciriaco Carru Arduino A. Mangoni Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3327: Evaluation of the Inhibitory Effects of Genipin on the Fluoxetine-Induced Invasive and Metastatic Model in Human HepG2 Cells
Lan Hsieh Metastasis of hepatocellular carcinoma (HCC) is usually unrecognized before any pathological examination, resulting in time-taking treatment and poor prognosis. As a consequence, HCC patients usually show symptoms of depression. In order to suppress such psychiatric disorders and to facilitate better treatment outcome, antidepressants are prescribed. Up to present, information about the effect of antidepressants on HCC is still lacking. Therefore, we chose fluoxetine (FXT), one of the top five psychiatric prescriptions in the United States, together with the HepG2 cell model to explore its effect on HCC. Our ...
Source: Molecules - December 14, 2018 Category: Chemistry Authors: Yu-Syuan Tian Kuan-Chou Chen Nor Diana Zulkefli Rida S. Maner Chiu-Lan Hsieh Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3313: Optimization of the Extraction Conditions and Biological Evaluation of Dendropanax morbifera H. Lev as an Anti-Hyperuricemic Source
ae-Hun Park Dendropanax morbifera H. Levis a medicinal plant native to South Korea, East Asia, and South America. Among some 75 species, one species grows in Korea. In previous studies, D. morbifera extracts with anti-oxidant, anti-inflammatory, anti-complementary and anti-cancer activities were reported. The present study aims to investigate optimization of extraction and evaluation of anti-hyperuricemic effects of D. morbifera leaf and the phytochemicals contained therein. Ethanol and hexane extract were found to display the best xanthine oxidase inhibition among six types of solvent and water extract. The antioxidan...
Source: Molecules - December 14, 2018 Category: Chemistry Authors: Seung-Sik Cho Seung-Hui Song Chul-Yung Choi Kyung Mok Park Jung-Hyun Shim Dae-Hun Park Tags: Communication Source Type: research

Molecules, Vol. 23, Pages 3314: Inhibitory Effect of an Acidic Peptide on the Activity of an Antimicrobial Peptide from the Scorpion Mesobuthus martensii Karsch
ming Chen Highly acidic peptides with no disulfide bridges are widely present in the scorpion venoms; however, none of them has been functionally characterized so far. Here, we cloned the full-length cDNA of a short-chain highly acidic peptide (referred to as HAP-1) from a cDNA library made from the venom glands of the Chinese scorpion Mesobuthus martensii Karsch. HAP-1 contains 19 amino acid residues with a predicted IP value of 4.25. Acidic amino residues account for 33.3% of the total residues in the molecule of HAP-1. HAP-1 shows 76–98% identities to some scorpion venom peptides that have not yet been...
Source: Molecules - December 14, 2018 Category: Chemistry Authors: Wanxia Shi Pengchen He Xian-Chun Zeng Weiwei Wu Xiaoming Chen Tags: Communication Source Type: research

Molecules, Vol. 23, Pages 3315: Chenodeoxycholic Acid from Bile Inhibits Influenza A Virus Replication via Blocking Nuclear Export of Viral Ribonucleoprotein Complexes
In conclusion, as an endogenous physiological small molecule, CDCA can inhibit IAV replication in vitro, at least in part, by blocking vRNP nuclear export, and affords further studies for development as a potential antiviral agent against IAV infections. (Source: Molecules)
Source: Molecules - December 14, 2018 Category: Chemistry Authors: Ling Luo Weili Han Jinyan Du Xia Yang Mubing Duan Chenggang Xu Zhenling Zeng Weisan Chen Jianxin Chen Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3316: Simultaneous Determination of N ε-(carboxymethyl) Lysine and Nε-(carboxyethyl) Lysine in Different Sections of Antler Velvet after Various Processing Methods by UPLC-MS/MS
Molecules, Vol. 23, Pages 3316: Simultaneous Determination of Nε-(carboxymethyl) Lysine and Nε-(carboxyethyl) Lysine in Different Sections of Antler Velvet after Various Processing Methods by UPLC-MS/MS Molecules doi: 10.3390/molecules23123316 Authors: Rui-ze Gong Yan-hua Wang Yu-fang Wang Bao Chen Kun Gao Yin-shi Sun Nε-(Carboxymethyl) lysine (CML) and Nε-(carboxyethyl) advanced glycation end-products (AGEs) and are frequently used as markers of AGE formation. AGEs, such as CML and CEL, have harmful effects in the human body and have been closely linked to ...
Source: Molecules - December 14, 2018 Category: Chemistry Authors: Rui-ze Gong Yan-hua Wang Yu-fang Wang Bao Chen Kun Gao Yin-shi Sun Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3317: HFIP-Promoted Bischler Indole Synthesis under Microwave Irradiation
Yuan Tang 1,1,1,3,3,3-Hexafluoropropan-2-ol (HFIP) was found to be effective for the Bischler indole synthesis under microwave irradiation in the absence of a metal catalyst. Under the catalysis of HFIP, a wide range of α-amino arylacetones were successfully transformed into indole derivatives with moderate to good yields. (Source: Molecules)
Source: Molecules - December 14, 2018 Category: Chemistry Authors: Guangkai Yao Zhi-Xiang Zhang Cheng-Bei Zhang Han-Hong Xu Ri-Yuan Tang Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3318: Enhancement of Berberine Hypoglycemic Activity by Oligomeric Proanthocyanidins
This study investigated the possible enhancement of berberine’s (BB) hypoglycemic activity by oligomeric proanthocyanidins (OPCs) and its underlying mechanism. The hypoglycemic activity of the studied compounds was evaluated in diabetic db/db mice. The cellular uptake and efflux of BB with or without OPCs were investigated using Caco-2 intestinal cells. A pharmacokinetic study of BB and OPCs was performed in Sprague Dawley (SD) mice by oral administration of the study compounds. Liquid chromatography–tandem mass spectrometry (LC–MS/MS) was employed to determine the cellular efflux,...
Source: Molecules - December 14, 2018 Category: Chemistry Authors: Haoyue Zhang Xueping Wang Ting Wang Kaixian Chen Heyao Wang Qi Jia Yiming Li Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3319: Schisandra Chinensis Lignans Suppresses the Production of Inflammatory Mediators Regulated by NF- κB, AP-1, and IRF3 in Lipopolysaccharide-Stimulated RAW264.7 Cells
This study aims to investigate the effects of SCL on inflammatory mediators in lipopolysaccharide-stimulated RAW264.7 cells and explore the underlying mechanism. The production of nitric oxide (NO) was determined by Griess reaction. ELISA was used to determine cytokine levels and chemokines secretion. To estimate protein levels and enzyme activities, we employed Western blotting. Nuclear localization of NF-κB, AP-1, and IRF3 was detected using immunofluorescence analyses. The results showed that SCL significantly reduced the release of inflammatory mediators, including NO and PGE2, which may be related to dow...
Source: Molecules - December 14, 2018 Category: Chemistry Authors: Gan Luo Brian Chi-Yan Cheng Hui Zhao Xiu-Qiong Fu Ran Xie Shuo-Feng Zhang Si-Yuan Pan Yi Zhang Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3320: Design, Synthesis and Antibacterial Evaluation of 3-Substituted Ocotillol-Type Derivatives
uo Meng Yi Bi Antibiotic resistance has become a serious global problem that threatens public health. In our previous work, we found that ocotillol-type triterpenoid saponin showed good antibacterial activity. Based on preliminary structure-activity relationship, novel serious C-3 substituted ocotillol-type derivatives 7–26 were designed and synthesized. The in vitro antibacterial activity was tested on five bacterial strains (B. subtilis 168, S. aureus RN4220, E. coli DH5α, A. baum ATCC19606 and MRSA USA300) and compared with the tests on contrast. Among these derivatives, C-3 position fr...
Source: Molecules - December 14, 2018 Category: Chemistry Authors: Kai-Yi Wang Zhi-Wen Zhou Heng-Yuan Zhang Yu-Cheng Cao Jin-Yi Xu Cong Ma Qing-Guo Meng Yi Bi Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3321: Evaluation of the Absorption Behavior of Main Component Compounds of Salt-Fried Herb Ingredients in Qing ’e Pills by Using Caco-2 Cell Model
Molecules, Vol. 23, Pages 3321: Evaluation of the Absorption Behavior of Main Component Compounds of Salt-Fried Herb Ingredients in Qing’e Pills by Using Caco-2 Cell Model Molecules doi: 10.3390/molecules23123321 Authors: Jinlan Lu Ling Liu Xingyu Zhu Li Wu Zhipeng Chen Zisheng Xu Weidong Li Qing’e Pills is a Chinese traditional herbal product, which is often used to strengthen muscles and bones in TCM (traditional Chinese Medicine) practice. Its two main component herbs, namely, Cortex Eucommiae and Fructus Psoraleae are both required to be salt-fried according to TCM theory. We hav...
Source: Molecules - December 14, 2018 Category: Chemistry Authors: Jinlan Lu Ling Liu Xingyu Zhu Li Wu Zhipeng Chen Zisheng Xu Weidong Li Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3322: Cardioprotective Effects of Puerarin-V on Isoproterenol-Induced Myocardial Infarction Mice Is Associated with Regulation of PPAR- Υ/NF-κB Pathway
Molecules, Vol. 23, Pages 3322: Cardioprotective Effects of Puerarin-V on Isoproterenol-Induced Myocardial Infarction Mice Is Associated with Regulation of PPAR-Υ/NF-κB Pathway Molecules doi: 10.3390/molecules23123322 Authors: Xuguang Li Tianyi Yuan Di Chen Yucai Chen Shuchan Sun Danshu Wang Lianhua Fang Yang Lu Guanhua Du Puerarin is a well-known traditional Chinese medicine which has been used for the treatment of cardiovascular diseases. Recently, a new advantageous crystal form of puerarin, puerarin-V, has been developed. However, the cardioprotective effects of puerarin-V on myoca...
Source: Molecules - December 14, 2018 Category: Chemistry Authors: Xuguang Li Tianyi Yuan Di Chen Yucai Chen Shuchan Sun Danshu Wang Lianhua Fang Yang Lu Guanhua Du Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3323: An Assessment of Computational Methods for Calculating Accurate Structures and Energies of Bio-Relevant Polysulfur/Selenium-Containing Compounds
. Gauld The heavier chalcogens sulfur and selenium are important in organic and inorganic chemistry, and the role of such chalcogens in biological systems has recently gained more attention. Sulfur and, to a lesser extent selenium, are involved in diverse reactions from redox signaling to antioxidant activity and are considered essential nutrients. We investigated the ability of the DFT functionals (B3LYP, B3PW91, ωB97XD, M06-2X, and M08-HX) relative to electron correlation methods MP2 and QCISD to produce reliable and accurate structures as well as thermochemical data for sulfur/selenium-containing syste...
Source: Molecules - December 14, 2018 Category: Chemistry Authors: Sahar Nikoo Paul J. Meister John J. Hayward James W. Gauld Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3325: [2+2+2] Annulation of N-(1-Naphthyl)acetamide with Two Alkynoates via Cleavage of Adjacent C –H and C–N Bonds Catalyzed by an Electron-Deficient Rhodium(III) Complex
Molecules, Vol. 23, Pages 3325: [2+2+2] Annulation of N-(1-Naphthyl)acetamide with Two Alkynoates via Cleavage of Adjacent C–H and C–N Bonds Catalyzed by an Electron-Deficient Rhodium(III) Complex Molecules doi: 10.3390/molecules23123325 Authors: Jyunichi Terasawa Yu Shibata Miho Fukui Ken Tanaka It has been established that an electron-deficient cationic CpE-rhodium(III) complex catalyzes the non-oxidative [2+2+2] annulation of N-(1-naphthyl)acetamide with two alkynoates via cleavage of the adjacent C–H and C–N bonds to give densely substituted phenanthrenes under mild...
Source: Molecules - December 14, 2018 Category: Chemistry Authors: Jyunichi Terasawa Yu Shibata Miho Fukui Ken Tanaka Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3324: Analysis of Targeted Metabolites and Molecular Structure of Starch to Understand the Effect of Glutinous Rice Paste on Kimchi Fermentation
Chung Bachu (Chinese cabbage) kimchi, a Korean traditional fermented dish, were prepared with or without the addition of glutinous (waxy) rice paste and their characteristics including pH, total bacteria count, total starch content, sugar metabolites, and molecular structure of starch were examined periodically for 20 days to investigate the effect of adding glutinous rice paste to kimchi during fermentation. The pH and total bacteria count showed that the fermentation of kimchi added with glutinous rice paste (GRP kimchi) progressed a little more quickly than that of control kimchi without glutinous rice paste. The GR...
Source: Molecules - December 14, 2018 Category: Chemistry Authors: Duyun Jeong Jong-Hee Lee Hyun-Jung Chung Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3304: Bulnesia sarmientoi Supercritical Fluid Extract Exhibits Necroptotic Effects and Anti-Metastatic Activity on Lung Cancer Cells
This study investigated the anti-proliferative and anti-metastatic effects of BS supercritical fluid extract (BSE) on the A549 and H661 lung cancer cell lines. The cytotoxicity on cancer cells was assessed by an MTT assay. After 72 h treatment of A549 and H661 cells, the IC50 values were 18.1 and 24.7 μg/mL, respectively. The cytotoxicity on MRC-5 normal cells was relatively lower (IC50 = 61.1 μg/mL). BSE arrested lung cancer cells at the S and G2/M growth phase. Necrosis of A549 and H661 cells was detected by flow cytometry with Annexin V-FITC/PI double staining. Moreover, the cytotoxic effect of BSE...
Source: Molecules - December 13, 2018 Category: Chemistry Authors: Heng-Long Wang Jung-Che Chang Li-Wen Fang Hsia-Fen Hsu Li-Chiun Lee Jyh-Ferng Yang Ming-Tsai Liang Pei-Chi Hsiao Chao-Ping Wang Shih-Wei Wang Chi-Chang Chang Jer-Yiing Houng Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3305: Overview on the Effects of N-Acetylcysteine in Neurodegenerative Diseases
azzon N-acetylcysteine (NAC), which is an acetylated cysteine compound, has aroused scientific interest for decades due to its important medical applications. It also represents a nutritional supplement in the human diet. NAC is a glutathione precursor and shows antioxidant and anti-inflammatory activities. In addition to the uses quoted in the literature, NAC may be considered helpful in therapies to counteract neurodegenerative and mental health diseases. Furthermore, this compound has been evaluated for its neuroprotective potential in the prevention of cognitive aging dementia. NAC is inexpensive, commercially avai...
Source: Molecules - December 13, 2018 Category: Chemistry Authors: Giuseppe Tardiolo Placido Bramanti Emanuela Mazzon Tags: Review Source Type: research

Molecules, Vol. 23, Pages 3306: 23-Hydroxyursolic Acid Isolated from the Stem Bark of Cussonia bancoensis Induces Apoptosis through Fas/Caspase-8-Dependent Pathway in HL-60 Human Promyelocytic Leukemia Cells
san Kyung-Tae Lee The natural product 23-hydroxyursolic acid (23-HUA) is a derivative of ursolic acid, which is known to induce cancer cell apoptosis. However, apoptotic effects and mechanisms of 23-HUA have not been well characterized yet. Herein, we investigated the molecular mechanisms of 23-HUA-induced apoptosis in HL-60 human promyelocytic leukemia cells. 23-HUA-treated HL-60 cells showed apoptotic features including internucleosomal DNA condensation and fragmentation as well as externalization of phosphatidylserine residues. 23-HUA induced a series of mitochondrial events including disruption of mitochondrial m...
Source: Molecules - December 13, 2018 Category: Chemistry Authors: Jong-Heon Won Kyung-Sook Chung Eun-Young Park Jeong-Hun Lee Jung-Hye Choi Leon Azefack Tapondjou Hee-Juhn Park Masaaki Nomura Ahmed H.E. Hassan Kyung-Tae Lee Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3307: Evaluation of the Novel Synthetic Tyrosinase Inhibitor (Z)-3-(3-bromo-4-hydroxybenzylidene)thiochroman-4-one (MHY1498) In Vitro and In Silico
In conclusion, our data demonstrate that MHY1498, a synthesized novel compound, effectively inhibits tyrosinase activity and has potential for treating hyperpigmentation and related disorders. (Source: Molecules)
Source: Molecules - December 13, 2018 Category: Chemistry Authors: EunJin Bang Sang-Gyun Noh Sugyeong Ha Hee Jin Jung Dae Hyun Kim A Kyoung Lee Min Kyung Hyun Dongwan Kang Sanggwon Lee Chaeun Park Hyung Ryong Moon Hae Young Chung Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3308: Understanding the Exceptional Properties of Nitroacetamides in Water: A Computational Model Including the Solvent
tti Proton transfer in water involving C–H bonds is a challenge and nitro compounds have been studied for many years as good examples. The effect of substituents on acidity of protons geminal to the nitro group is exploited here with new p K a measurements and electronic structure models, the latter including explicit water environment. Substituents with the amide moiety display an exceptional combination of acidity and solubility in water. In order to find a rationale for the unexpected p K a changes in the (ZZ ′ )NCO- substituents, we measured and modeled the p K a with Z=Z &p...
Source: Molecules - December 13, 2018 Category: Chemistry Authors: Giovanni La Penna Fabrizio Machetti Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3309: The Impact of Coffee and Its Selected Bioactive Compounds on the Development and Progression of Colorectal Cancer In Vivo and In Vitro
Ewa Birkner Coffee is one of the most popular beverages worldwide. Coffee contains bioactive compounds that affect the human body such as caffeine, caffeic acid, chlorogenic acids, trigonelline, diterpenes, and melanoidins. Some of them have demonstrated potential anticarcinogenic effects in animal models and in human cell cultures, and may play a protective role against colorectal cancer. Colorectal cancer (CRC) is the third leading cause of cancer-related mortality in the USA and other countries. Dietary patterns, as well as the consumption of beverages, may reduce the risk of CRC incidence. In this review, we focus ...
Source: Molecules - December 13, 2018 Category: Chemistry Authors: Rafa ł J. Bułdak Tomasz Hejmo Marcin Osowski Łukasz Bułdak Micha ł Kukla Renata Polaniak Ewa Birkner Tags: Review Source Type: research

Molecules, Vol. 23, Pages 3310: Self-Replicating RNA Viruses for RNA Therapeutics
m Self-replicating single-stranded RNA viruses such as alphaviruses, flaviviruses, measles viruses, and rhabdoviruses provide efficient delivery and high-level expression of therapeutic genes due to their high capacity of RNA replication. This has contributed to novel approaches for therapeutic applications including vaccine development and gene therapy-based immunotherapy. Numerous studies in animal tumor models have demonstrated that self-replicating RNA viral vectors can generate antibody responses against infectious agents and tumor cells. Moreover, protection against challenges with pathogenic Ebola virus was obta...
Source: Molecules - December 13, 2018 Category: Chemistry Authors: Kenneth Lundstrom Tags: Review Source Type: research

Molecules, Vol. 23, Pages 3311: Phyto-Mediated Photo Catalysed Green Synthesis of Silver Nanoparticles Using Durio Zibethinus Seed Extract: Antimicrobial and Cytotoxic Activity and Photocatalytic Applications
rasamy Ravichandran In the present study, we have developed a green approach for the synthesis of silver nanoparticles (DSAgNPs) using aqueous extract of Durio zibethinus seed and determined its antibacterial, photocatalytic and cytotoxic effects. Surface plasmon resonance confirmed the formation of DSAgNPs with a maximum absorbance (λmax) of 420 nm. SEM and TEM images revealed DSAgNPs were spherical and rod shaped, with a size range of 20 nm and 75 nm. The zeta potential was found to be −15.41 mV. XRD and EDX analyses confirmed the nature and presence of Ag and AgCl. DSAgNPs showed considerable antibacter...
Source: Molecules - December 13, 2018 Category: Chemistry Authors: Samuggam Sumitha Sethu Vasanthi Sivadasan Shalini Suresh V. Chinni Subash C.B. Gopinath Periasamy Anbu Mohammed Baidi Bahari Rajak Harish Sathasivam Kathiresan Veerasamy Ravichandran Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3312: Chloro- and Dichloro-methylsulfonyl Nitrenes: Spectroscopic Characterization, Photoisomerization, and Thermal Decomposition
qing Zeng Chloro- and dichloro-methylsulfonyl nitrenes, CH2ClS(O)2N and CHCl2S(O)2N, have been generated from UV laser photolysis (193 and 266 nm) of the corresponding sulfonyl azides CH2ClS(O)2N3 and CHCl2S(O)2N3, respectively. Both nitrenes have been characterized with matrix-isolation IR and EPR spectroscopy in solid N2 (10 K) and glassy toluene (5 K) matrices. Triplet ground-state multiplicity of CH2ClS(O)2N (|D/hc| = 1.57 cm−1 and |E/hc| = 0.0026 cm−1) and CHCl2S(O)2N (|D/hc| = 1.56 cm−1 and |E/hc| = 0.0042 cm−1) has been confirmed. In addition, dichloromethy...
Source: Molecules - December 13, 2018 Category: Chemistry Authors: Yang Yang Xianxu Chu Yan Lu Manabu Abe Xiaoqing Zeng Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3303: Combined In Vitro Studies and in Silico Target Fishing for the Evaluation of the Biological Activities of Diphylleia cymosa and Podophyllum hexandrum
Gontijo Silva This paper reports the in silico prediction of biological activities of lignans from Diphylleia cymosa and Podophyllum hexandrum combined with an in vitro bioassays. The extracts from the leaves, roots and rhizomes of both species were evaluated for their antibacterial, anticholinesterasic, antioxidant and cytotoxic activities. A group of 27 lignans was selected for biological activities prediction using the Active-IT system with 1987 ligand-based bioactivity models. The in silico approach was properly validated and several ethnopharmacological uses and known biological activities were confirmed, whilst o...
Source: Molecules - December 13, 2018 Category: Chemistry Authors: Marina Pereira Rocha Priscilla Rodrigues Valadares Campana Denise de Oliveira Scoaris Vera Lucia de Almeida Julio Cesar Dias Lopes Julian Mark Hugh Shaw Claudia Gontijo Silva Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3299: Enantioselective Michael Addition of Aldehydes to Maleimides Organocatalyzed by a Chiral Primary Amine-Salicylamide
a Gabriela Guillena A primary amine-salicylamide derived from chiral trans-cyclohexane-1,2-diamine was used as an organocatalyst for the enantioselective conjugate addition of aldehydes, mainly α,α-disubstituted to N-substituted maleimides. The reaction was performed in toluene as a solvent at room temperature. The corresponding enantioenriched adducts were obtained with high yields and enantioselectivities up to 94%. Theoretical calculations were used to justify the stereoinduction. (Source: Molecules)
Source: Molecules - December 12, 2018 Category: Chemistry Authors: Alejandro Torregrosa-Chinillach Adrien Moragues Haritz P érez-Furundarena Rafael Chinchilla Enrique G ómez-Bengoa Gabriela Guillena Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3300: Evolution of Flavanol Glycosides during Red Grape Fermentation
eacute;dric Saucier Monomeric and dimeric flavanol glycosides were quantified by UHPLC-MRM in Syrah (SYR) and Grenache (GRE) grapes and in their corresponding wines for the first time. Quantities were extremely variable depending on grape tissue (seeds or skins) and during fermentation. Overall, 22 monomeric and dimeric mono- and diglycosides were determined with concentrations ranging from 0.7 nanograms to 0.700 micrograms per gram of grape tissue, and 0 to 60 micrograms per liter for wines. The evolution of the glycosides’ composition during winemaking suggests that almost all these compounds originate in the g...
Source: Molecules - December 12, 2018 Category: Chemistry Authors: Marie Zerbib Guillaume Cazals Marie-Agn ès Ducasse Christine Enjalbal C édric Saucier Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3301: The Antitumor Activity of a Lead Thioxanthone is Associated with Alterations in Cholesterol Localization
M. Helena Vasconcelos The search for novel anticancer small molecules and strategies remains a challenge. Our previous studies have identified TXA1 (1-{[2-(diethylamino)ethyl]amino}-4-propoxy-9H- thioxanthen-9-one) as a hit compound, with in vitro antitumor potential by modulating autophagy and apoptosis in human tumor cell lines. In the present study, the mechanism of action and antitumor potential of the soluble salt of this molecule (TXA1.HCl) was further investigated using in vitro and mouse xenograft tumor models of NSCLC. Our results showed that TXA1.HCl affected steroid biosynthesis, increased RagD expression...
Source: Molecules - December 12, 2018 Category: Chemistry Authors: Raquel T. Lima Diana Sousa Ana Sara Gomes Nuno Mendes Rune Matthiesen Madalena Pedro Franklim Marques Madalena M. Pinto Em ília Sousa M. Helena Vasconcelos Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3302: Fucoidan Exerts Anticancer Effects Against Head and Neck Squamous Cell Carcinoma In Vitro
In conclusion, we confirmed that fucoidan exhibits anticancer properties against HNSCC, which are manifested by the induction of apoptosis, regulation of ROS production, cell cycle arrest, and inhibition of proliferation. (Source: Molecules)
Source: Molecules - December 12, 2018 Category: Chemistry Authors: Wiktoria Blaszczak Michal Stefan Lach Wojciech Barczak Wiktoria Maria Suchorska Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3293: Continuous Gradient Temperature Raman Spectroscopy of Fish Oils Provides Detailed Vibrational Analysis and Rapid, Nondestructive Graphical Product Authentication
Conclusion: Complex lipids with a variety of fatty acids and isomers have three dimensional structures based mainly on how structurally similar sites pack. Any localized non-uniformity in packing results in discrete “fingerprint” molecular sites due to increased elasticity and decreased torsion. (Source: Molecules)
Source: Molecules - December 12, 2018 Category: Chemistry Authors: C. Leigh Broadhurst Walter F. Schmidt Jianwei Qin Kuanglin Chao Moon S. Kim Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3294: Thermal Transport of Graphene Sheets with Fractal Defects
ingcheng Si Graphene combined with fractal structures would probably be a promising candidate design of an antenna for a wireless communication system. However, the thermal transport properties of fractal graphene, which would influence the properties of wireless communication systems, are unclear. In this paper, the thermal transport properties of graphene with a Sierpinski fractal structure were investigated via the reverse non-equilibrium molecular dynamics simulation method. Simulation results indicated that the thermal conductivity of graphene with fractal defects decreased from 157.62 to 19.60 (W m−...
Source: Molecules - December 12, 2018 Category: Chemistry Authors: Yang Kang Fuyan Duan Shaoxin Shangguan Yixin Zhang Tianpei Zhou Bingcheng Si Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3295: Combination of Dry Milling and Separation Processes with Anaerobic Digestion of Olive Mill Solid Waste: Methane Production and Energy Efficiency
amed Arji Abdellatif Barakat This experimental work aims at investigating the effects of milling; sieving; and electrostatic separation on the biochemical methane potential of two olive pomaces from traditional olive oil extraction (M) and from a three-phase system (T). Sieving proved to be efficient for increasing the soluble chemical oxygen demand in the smallest fractions of the sieve of both M (62%) and T (78%) samples. The positive fraction following electrostatic separation also enhanced chemical oxygen demand (COD) solubilisation by 94%, in comparison to sample T milled at 4 mm. Sieve fractions with a size gre...
Source: Molecules - December 12, 2018 Category: Chemistry Authors: Doha Elalami H élène Carrère Karima Abdelouahdi Abdallah Oukarroum Driss Dhiba Mohamed Arji Abdellatif Barakat Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3296: Oleiferasaponin A2, a Novel Saponin from Camellia oleifera Abel. Seeds, Inhibits Lipid Accumulation of HepG2 Cells Through Regulating Fatty Acid Metabolism
Xin-Fu Zhang A new triterpenoid saponin, named oleiferasaponin A2, was isolated and identified from Camellia oleifera defatted seeds. Oleiferasaponin A2 exhibited anti-hyperlipidemic activity on HepG2 cell lines. Further study of the hypolipidemic mechanism showed that oleiferasaponin A2 inhibited fatty acid synthesis by significantly down-regulating the expression of SREBP-1c, FAS and FAS protein, while dramatically promoting fatty acid β-oxidation by up-regulating the expression of ACOX-1, CPT-1 and ACOX-1 protein. Our results demonstrate that the oleiferasaponin A2 possesses potential medicinal value f...
Source: Molecules - December 12, 2018 Category: Chemistry Authors: Tai-Mei Di Shao-Lan Yang Feng-Yu Du Lei Zhao Xiao-Han Li Tao Xia Xin-Fu Zhang Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3297: Synthesis, Biological Evaluation and Docking Studies of Benzoxazoles Derived from Thymoquinone
Anja Harej Marko Klobučar Davorka Završnik Thymoquinone (TQ), a natural compound with antimicrobial and antitumor activity, was used as the starting molecule for the preparation of 3-aminothymoquinone (ATQ) from which ten novel benzoxazole derivatives were prepared and characterized by elemental analysis, IR spectroscopy, mass spectrometry and NMR (1H, 13C) spectroscopy in solution. The crystal structure of 4-methyl-2-phenyl-7-isopropyl-1,3-benzoxazole-5-ol (1a) has been determined by X-ray diffraction. All compounds were tested for their antibacterial, antifungal and antitumor activities. TQ and ATQ show...
Source: Molecules - December 12, 2018 Category: Chemistry Authors: Una Glamo člija Subhash Padhye Selma Špirtović-Halilović Amar Osmanovi ć Elma Veljovi ć Sun čica Roca Irena Novakovi ć Boris Mandi ć Iztok Turel Jakob Kljun Sne žana Trifunović Emira Kahrovi ć Sandra Kraljevi ć Pavelić Anja Harej Marko Klobu Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3298: Atractylenolide II Induces Apoptosis of Prostate Cancer Cells through Regulation of AR and JAK2/STAT3 Signaling Pathways
ng Li Gao Prostate cancer is the most common illness affecting men worldwide. Although much progress has been made in the study of prostate cancer prevention and treatment, less attention has been paid to the molecular mechanism of the disease. The molecular arrangement by which atractylenolide II (ATR II) induces human prostate cancer cytotoxicity was comprehensively examined in the present study. As indicated by the results, ATR II could inhibit prostate cancer cell proliferation and promote DU145 and LNCaP cell apoptosis through induced G2/M cell cycle arrest. The cell apoptosis process induced by ATR II in both D...
Source: Molecules - December 12, 2018 Category: Chemistry Authors: Jing Wang Moussa Ide Nasser Salah Adlat Ming Ming Jiang Nan Jiang Li Gao Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3281: Purification and Functional Characterization of the C-Terminal Domain of the β-Actin-Binding Protein AIM1 In Vitro
We describe novel methods to prepare pure recombinant AIM1 and identify possible binding modes between AIM1 and β-actin; we also obtain the crystal of the first two βγ-crystallin domains of AIM1 (g1g2) for future structural biology research. We first express and purify AIM1 after cloning the sequence into a modified pET-28a_psp expression vector. Next, we define the minimum unit formed by the βγ-crystallin domain repeats that bound to β-actin and perform its physiological function. Finally, we made the structural model of the AIM1 g1g2 that can...
Source: Molecules - December 11, 2018 Category: Chemistry Authors: Fang Wu Liangkai Cheng Qi Yu Lin Zhang Hong Li Caiyan Wang Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3282: Activity Landscape and Molecular Modeling to Explore the SAR of Dual Epigenetic Inhibitors: A Focus on G9a and DNMT1
sé L. Medina-Franco In this work we discuss the insights from activity landscape, docking and molecular dynamics towards the understanding of the structure-activity relationships of dual inhibitors of major epigenetic targets: lysine methyltransferase (G9a) and DNA methyltranferase 1 (DNMT1). The study was based on a novel data set of 50 published compounds with reported experimental activity for both targets. The activity landscape analysis revealed the presence of activity cliffs, e.g., pairs of compounds with high structure similarity but large activity differences. Activity cliffs were further rationalized a...
Source: Molecules - December 11, 2018 Category: Chemistry Authors: Edgar L ópez-López Fernando D. Prieto-Mart ínez Jos é L. Medina-Franco Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3283: The Potential Use of Plant Natural Products and Plant Extracts with Antioxidant Properties for the Prevention/Treatment of Neurodegenerative Diseases: In Vitro, In Vivo and Clinical Trials
Lin Neurodegenerative disorders, including Alzheimer’s disease, Parkinson’s disease and Huntington’s disease, present a major health issue and financial burden for health care systems around the world. The impact of these diseases will further increase over the next decades due to increasing life expectancies. No cure is currently available for the treatment of these conditions; only drugs, which merely alleviate the symptoms. Oxidative stress has long been associated with neurodegeneration, whether as a cause or as part of the downstream results caused by other factors. Thus, ...
Source: Molecules - December 11, 2018 Category: Chemistry Authors: Franziska Pohl Paul Kong Thoo Lin Tags: Review Source Type: research

Molecules, Vol. 23, Pages 3284: Ionic Liquid –Ultrasound-Based Extraction of Biflavonoids from Selaginella helvetica and Investigation of Their Antioxidant Activity
Molecules, Vol. 23, Pages 3284: Ionic Liquid–Ultrasound-Based Extraction of Biflavonoids from Selaginella helvetica and Investigation of Their Antioxidant Activity Molecules doi: 10.3390/molecules23123284 Authors: Yongmei Jiang Dan Li Xiankui Ma Fengqin Jiang Qun He Shaoliang Qiu Yan Li Gang Wang As a new and green solvent, ionic liquids (ILs) have received more attention during the green extraction and separation process for natural medicines. In this paper, IL-ultrasound-assisted extraction (IL-UAE) of total biflavonoids (TBFs) from Selaginella helvetica was firstly developed, and different IL...
Source: Molecules - December 11, 2018 Category: Chemistry Authors: Yongmei Jiang Dan Li Xiankui Ma Fengqin Jiang Qun He Shaoliang Qiu Yan Li Gang Wang Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3285: Synthesis, Antibacterial, and Anti HepG2 Cell Line Human Hepatocyte Carcinoma Activity of Some New Potentially Benzimidazole-5-(Aryldiazenyl)Thiazole Derivatives
A. Mohamed The paper describes the synthesis and biological evaluation of some new benzimidazole derivatives as potent clinical drugs that are useful in the treatment of some microbial infections and tumor inhibition. The starting compound 2-(bromomethyl)-1H-benzimidazole (1) was prepared, and hence underwent interesting functionalization reactions to afford several series of benzimidazole-5-(aryldiazenyl)thiazole derivatives: 3a–c, 7a–c, and 8a–c. The antibacterial activities of the synthesized compounds were evaluated by calculation of the inhibition zone diameter (mm) and t...
Source: Molecules - December 11, 2018 Category: Chemistry Authors: Mohamed E. Khalifa Adil A. Gobouri Fahad M. Kabli Tarik A. Altalhi Abdulraheem S. A. Almalki Mahmoud A. Mohamed Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3286: Evolution of Volatile Compounds and Spoilage Bacteria in Smoked Bacon during Refrigeration Using an E-Nose and GC-MS Combined with Partial Least Squares Regression
u Baocai Xu The changes in the concentration of volatile organic compounds (VOCs) and biogenic amines (BAs) in smoked bacon during 45-day refrigerated storage is investigated using solid-phase micro-extraction coupled with gas chromatography-mass spectrometry and high-performance liquid chromatography. In total, 56 VOCs and 6 BAs were identified and quantified. The possible pathways leading to their formation are analyzed and considered as the potential signs of microbial activity, especially by specific spoilage microorganisms (SSOs). Leuconostoc and Lactobacillus, which levels increased markedly with the extension ...
Source: Molecules - December 11, 2018 Category: Chemistry Authors: Xinfu Li Jiancai Zhu Cong Li Hua Ye Zhouping Wang Xiang Wu Baocai Xu Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3287: From the Eukaryotic Molybdenum Cofactor Biosynthesis to the Moonlighting Enzyme mARC
ngel Llamas All eukaryotic molybdenum (Mo) enzymes contain in their active site a Mo Cofactor (Moco), which is formed by a tricyclic pyranopterin with a dithiolene chelating the Mo atom. Here, the eukaryotic Moco biosynthetic pathway and the eukaryotic Moco enzymes are overviewed, including nitrate reductase (NR), sulfite oxidase, xanthine oxidoreductase, aldehyde oxidase, and the last one discovered, the moonlighting enzyme mitochondrial Amidoxime Reducing Component (mARC). The mARC enzymes catalyze the reduction of hydroxylated compounds, mostly N-hydroxylated (NHC), but as well of nitrite to nitric oxide, a second m...
Source: Molecules - December 11, 2018 Category: Chemistry Authors: Manuel Tejada-Jimenez Alejandro Chamizo-Ampudia Victoria Calatrava Aurora Galvan Emilio Fernandez Angel Llamas Tags: Review Source Type: research

Molecules, Vol. 23, Pages 3288: Fusaproliferin, a Fungal Mycotoxin, Shows Cytotoxicity against Pancreatic Cancer Cell Lines
aker Rahman As a part of our ongoing research on endophytic fungi, we have isolated a sesterterpene mycotoxin, fusaproliferin (FUS), from a Fusarium solani strain, which is associated with the plant Aglaonema hookerianum Schott. FUS showed rapid and sub-micromolar IC50 against pancreatic cancer cell lines. Time-dependent survival analysis and microscopy imaging showed rapid morphological changes in cancer cell lines 4 h after incubation with FUS. This provides a new chemical scaffold that can be further developed to obtain more potent synthetic agents against pancreatic cancer. (Source: Molecules)
Source: Molecules - December 11, 2018 Category: Chemistry Authors: Nazia Hoque Choudhury Hasan Md. Rana Amrit Varsha Md. Sohrab Khondaker Rahman Tags: Article Source Type: research

Molecules, Vol. 23, Pages 3290: Correction: Schreck, K. and Melzig, M.F. Intestinal Saturated Long-Chain Fatty Acid, Glucose and Fructose Transporters and their Inhibition by Natural Plant Extracts in Caco-2 Cells. Molecules, 2018, 23, 2544
zig The authors wish to make the following correction to their paper [...] (Source: Molecules)
Source: Molecules - December 11, 2018 Category: Chemistry Authors: Katharina Schreck Matthias Melzig Tags: Correction Source Type: research

Molecules, Vol. 23, Pages 3289: Lamiophlomis rotata Identification via ITS2 Barcode and Quality Evaluation by UPLC-QTOF-MS Couple with Multivariate Analyses
g Zheng Pan Lamiophlomis rotata (L. rotata), is known as “Daba” in the Tibetan region, Ajuga ovalifolia and Oreosolen wartii have also been utilized as substitutes for “Daba”, however, only L. rotata has been officially listed in the Chinese Pharmacopoeia for hemostasis preparations. To safely apply the traditional uses of the herb, internal transcribed spacer 2 (ITS2) DNA barcodes were employed to discriminate L. rotata from its adulterants. For further evaluation of the quality of different originating habitats, the chemical profiles of 25 samples were determined by ultra-high-performance li...
Source: Molecules - December 11, 2018 Category: Chemistry Authors: Jian Wang YunLing Gao YiLong Chen YiWen Chen Yi Zhang Li Xiang Zheng Pan Tags: Article Source Type: research