Molecules, Vol. 23, Pages 1507: Predicting the Dielectric Properties of Nanocellulose-Modified Presspaper Based on the Multivariate Analysis Method
gliu Zhou Nanocellulose-modified presspaper is a promising solution to achieve cellulose insulation with better performance, reducing the risk of electrical insulation failures of a converter transformer. Predicting the dielectric properties will help to further design and improvement of presspaper. In this paper, a multivariable method was adopted to determine the effect of softwood fiber on the macroscopic performance of presspaper. Based on the parameters selected using the optimum subset method, a multiple linear regression was built to model the relationship between the fiber properties and insulating performance ...
Source: Molecules - June 21, 2018 Category: Chemistry Authors: Yuanxiang Zhou Xin Huang Jianwen Huang Ling Zhang Zhongliu Zhou Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1508: Proanthocyanidins Protect Epithelial Cells from Zearalenone-Induced Apoptosis via Inhibition of Endoplasmic Reticulum Stress-Induced Apoptosis Pathways in Mouse Small Intestines
This study evaluated the protective effect of proanthocyanidins (PCs) on reducing apoptosis in the mouse intestinal epithelial cell model MODE-K exposed to zearalenone (ZEA) through inhibition of the endoplasmic reticulum stress (ERS)-induced apoptosis pathway. Our results showed that PCs could reduce the rate of apoptosis in MODE-K cells exposed to ZEA (p < 0.01). PCs significantly increased the ZEA-induced antioxidant protective effects on the enzymes superoxide dismutase (SOD) and glutathione peroxidase (GSH-Px) and on the content of GSH. PCs also significantly decreased the ZEA-induced increase in the conten...
Source: Molecules - June 21, 2018 Category: Chemistry Authors: Miao Long Xinliang Chen Nan Wang Mingyang Wang Jiawen Pan Jingjing Tong Peng Li Shuhua Yang Jianbin He Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1498: Phenolic and Nonpolar Fractions of Elaeagnus rhamnoides (L.) A. Nelson Extracts as Virulence Modulators —In Vitro Study on Bacteria, Fungi, and Epithelial Cells
Molecules, Vol. 23, Pages 1498: Phenolic and Nonpolar Fractions of Elaeagnus rhamnoides (L.) A. Nelson Extracts as Virulence Modulators—In Vitro Study on Bacteria, Fungi, and Epithelial Cells Molecules doi: 10.3390/molecules23071498 Authors: Barbara Różalska Beata Sadowska Jerzy Żuchowski Marzena Więckowska-Szakiel Aleksandra Budzyńska Urszula Wójcik Anna Stochmal Butanol extracts from leaves, twigs, and fruits of Elaeagnus rhamnoides (L.) A. Nelson (sea buckthorn, SBT) were fractionated into phenolic and nonpolar lipid components, the chemical composition of which was analyzed. ...
Source: Molecules - June 21, 2018 Category: Chemistry Authors: Barbara R óżalska Beata Sadowska Jerzy Żuchowski Marzena Wi ęckowska-Szakiel Aleksandra Budzy ńska Urszula W ójcik Anna Stochmal Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1499: Synthesis and Fungicidal Activity of Lansiumamide A and B and Their Derivatives
ng Liyan Song A efficient 2-step protocol has been applied for the synthesis of Lansiumamide B (N-methyl-N-cis-styryl-cinnamamide, 2) derivatives by various substitution on the amide nitrogen with alkyl, allyl, propargyl, benzyl or ester groups. The structures of nine new compounds were characterized by HRMS, 1H NMR, and 13C NMR spectra. These compounds were tested in vitro against 10 strains of phytopathogenic fungi and showed a wide antifungal spectrum. The relationship between different substituents on the amide nitrogen and antifungal activity of Lansiumamide B derivatives were compared and analyzed. The result i...
Source: Molecules - June 21, 2018 Category: Chemistry Authors: Huiyou Xu Ting Chen Luanbin Huang Qiuju Shen Zengwei Lian Yan Shi Ming-An Ouyang Liyan Song Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1500: MicroRNA-Regulated Gene Delivery Systems for Research and Therapeutic Purposes
Steel Targeted gene delivery relies on the ability to limit the expression of a transgene within a defined cell/tissue population. MicroRNAs represent a class of highly powerful and effective regulators of gene expression that act by binding to a specific sequence present in the corresponding messenger RNA. Involved in almost every aspect of cellular function, many miRNAs have been discovered with expression patterns specific to developmental stage, lineage, cell-type, or disease stage. Exploiting the binding sites of these miRNAs allows for construction of targeted gene delivery platforms with a diverse range of appli...
Source: Molecules - June 21, 2018 Category: Chemistry Authors: Bijay Dhungel Charmaine A. Ramlogan-Steel Jason C. Steel Tags: Review Source Type: research

Molecules, Vol. 23, Pages 1501: Chemical Profiling and Screening of the Marker Components in the Fruit of Cassia fistula by HPLC and UHPLC/LTQ-Orbitrap MSn with Chemometrics
e Bai Shouying Du Cassia fistula L. which is known as “Golden Shower”, is used as an ornamental plant due to its flowers, and fruit parts of this plant have a high medicinal value. There are few reports providing a comprehensive overview of the chemical composition of its fruit or explaining the differences between samples from different sources because of the complexity of its chemical components. The purpose of the present study was to establish a fingerprint evaluation system based on Similarity Analysis (SA), Hierarchical Cluster Analysis (HCA) and Principal Component Analysis (PCA) fo...
Source: Molecules - June 21, 2018 Category: Chemistry Authors: Jiawei Tan Mengcheng Zheng Susu Duan Yanling Zeng Ziwei Zhang Qingyu Cui Jiamei Zhang Tingting Hong Jie Bai Shouying Du Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1503: Bioactive Indanes: Proof of Concept Study for Enantioselective Synthetic Routes to PH46A, a New Potential Anti-Inflammatory Agent
heridan PH46A is a single enantiomer and a member of the 1,2-indane dimer family. It has two contiguous stereogenic centers with S,S configurations, one of which being a quaternary center, which has been developed as a clinical candidate for the treatment of inflammatory and autoimmune conditions. The current synthetic route to PH46A involves the generation of an unwanted enantiomer (R,R)-7, thus reducing the final yield significantly. Therefore, we have investigated potential alternatives to improve the efficiency of this synthesis. The first phase of the study has demonstrated proof of principle for a chiral alkylati...
Source: Molecules - June 21, 2018 Category: Chemistry Authors: Tao Zhang Gaia Scalabrino Neil Frankish Helen Sheridan Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1502: One-Dimension Diffusion Preparation of Concentration-Gradient Fe2O3/SiO2 Aerogel
ang Ai Du Concentration-gradient Fe2O3/SiO2 aerogels were prepared by placing an MTMS (methyltrimethoxysilane)-derived SiO2 aerogel on an iron gauze with an HCl atmosphere via one-dimensional diffusion, ammonia-atmosphere fixing, supercritical fluid drying and thermal treatment. The energy dispersive spectra show that the Fe/Si molar ratios change gradually from 2.14% to 18.48% with a height of 40 mm. Pore-size distribution results show that the average pore size of the sample decreases from 15.8 nm to 3.1 nm after diffusion. This corresponds well with TEM results, indicating a pore-filling effect of the Fe compound....
Source: Molecules - June 21, 2018 Category: Chemistry Authors: Ting Zhang Haoran Wang Bin Zhou Xiujie Ji Hongqiang Wang Ai Du Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1504: Rapid Detection of Six Glucocorticoids Added Illegally to Dietary Supplements by Combining TLC with Spot-Concentrated Raman Scattering
The objective of this study was to establish a novel method for rapid detection of six glucocorticoids (prednisone, prednisone acetate, prednisolone, hydrocortisone, hydrocortisone acetate, and dexamethasone) added illegally in dietary supplements simultaneously by combining thin layer chromatography (TLC) with spot-concentrated Raman scattering (SCRS). The doping ingredients were separated by TLC, and viewed and located with UV light (254 nm), enriched by chromatography, then Raman spectra were directly detected by a Raman Imagine microscope with 780 nm laser source. This method had complementary advantages of TLC and Ram...
Source: Molecules - June 21, 2018 Category: Chemistry Authors: Li Li Xin Liang Tao Xu Feng Xu Wei Dong Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1505: Solid-State Highly Efficient DR Mono and Poly-dicyano-phenylenevinylene Fluorophores
Stefano Piotto An efficient deep red (DR)-emitting organic solid based on a dicyano-phenylenevinylene derivative was reported. The structural and spectroscopic properties of the solid have been described in terms of crystallographic data and time-dependent DFT analysis. A noteworthy fluorescence quantum yield of 53% was observed for the brightest emitter cast into solid films. This result can be explained in terms of the aggregation-induced emission (AIE) effect. (Source: Molecules)
Source: Molecules - June 21, 2018 Category: Chemistry Authors: Barbara Panunzi Rosita Diana Simona Concilio Lucia Sessa Rafi Shikler Shiran Nabha Angela Tuzi Ugo Caruso Stefano Piotto Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1506: New Chromane-Based Derivatives as Inhibitors of Mycobacterium tuberculosis Salicylate Synthase (MbtI): Preliminary Biological Evaluation and Molecular Modeling Studies
Daniela Barlocco Tuberculosis is the leading cause of death from a single infectious agent worldwide; therefore, the need for new antitubercular drugs is desperate. The recently validated target salicylate synthase MbtI is the first enzyme involved in the biosynthesis of mycobactins, compounds able to chelate iron, an essential cofactor for the survival of Mycobacterium tuberculosis in the host. Here, we report on the synthesis and biological evaluation of chromane-based compounds as new potential inhibitors of MbtI. Our approach successfully allowed the identification of a novel lead compound (1), endowed with a pr...
Source: Molecules - June 21, 2018 Category: Chemistry Authors: Elena Pini Giulio Poli Tiziano Tuccinardi Laurent Roberto Chiarelli Matteo Mori Arianna Gelain Luca Costantino Stefania Villa Fiorella Meneghetti Daniela Barlocco Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1487: Upregulation of UDP-Glucuronosyltransferases 1a1 and 1a7 Are Involved in Altered Puerarin Pharmacokinetics in Type II Diabetic Rats
This study was conducted to investigate the difference in pharmacokinetic effects of puerarin in normal rats and rats with diabetes mellitus (DM), and the mechanism involved. DM was induced by a combined high-fat diet (HFD) and streptozotocin (STZ) injection. Plasma concentrations of puerarin in DM, HFD, and control rats were determined after intravenous (20 mg/kg) and oral administration (500 mg/kg) of puerarin, and pharmacokinetic parameters were estimated. The messenger RNA (mRNA) and protein expression levels of Ugt1a1 and Ugt1a7 in rat livers and intestines were measured using qRT-PCR and western blot, respectively. T...
Source: Molecules - June 20, 2018 Category: Chemistry Authors: Songtao Dong Maofan Zhang Huimin Niu Kunyu Jiang Jialei Jiang Yinglin Ma Xin Wang Shengnan Meng Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1489: Mouse β-Defensin 3, A Defensin Inhibitor of Both Its Endogenous and Exogenous Potassium Channels
Molecules, Vol. 23, Pages 1489: Mouse β-Defensin 3, A Defensin Inhibitor of Both Its Endogenous and Exogenous Potassium Channels Molecules doi: 10.3390/molecules23061489 Authors: Yaoyun Zhang Yonghui Zhao Hongyue Liu Weiwei Yu Fan Yang Wenhua Li Zhijian Cao Yingliang Wu The human defensins are recently discovered to inhibit potassium channels, which are classical targets of the animal toxins. Whether other vertebrate defensins are potassium channel inhibitors remains unknown. In this work, we reported that the mouse β-defensin 3 (mBD3) was a novel inhibitor of both endogenous and exo...
Source: Molecules - June 20, 2018 Category: Chemistry Authors: Yaoyun Zhang Yonghui Zhao Hongyue Liu Weiwei Yu Fan Yang Wenhua Li Zhijian Cao Yingliang Wu Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1490: Metabolomic Analysis of Biochemical Changes in the Serum and Urine of Freund ’s Adjuvant-Induced Arthritis in Rats after Treatment with Silkworm Excrement
Molecules, Vol. 23, Pages 1490: Metabolomic Analysis of Biochemical Changes in the Serum and Urine of Freund’s Adjuvant-Induced Arthritis in Rats after Treatment with Silkworm Excrement Molecules doi: 10.3390/molecules23061490 Authors: Tianyao Zheng Shulan Su Xinxin Dai Liwen Zhang Jin-Ao Duan Zhen Ou-Yang Silkworm excrement (SE), is used as a traditional antirheumatic medicine in China. The present study was designed to investigate the therapeutic efficacy of water fraction of SE (ST) and ethanol fraction of SE (CT) at two different doses on adjuvant induced arthritis (AA) rats. Arthritis severity ...
Source: Molecules - June 20, 2018 Category: Chemistry Authors: Tianyao Zheng Shulan Su Xinxin Dai Liwen Zhang Jin-Ao Duan Zhen Ou-Yang Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1491: Expression, Purification, and Characterization of a Novel Hybrid Peptide with Potent Antibacterial Activity
Rijun Zhang The hybrid peptide cecropin A (1–8)–LL37 (17–30) (C–L), derived from the sequence of cecropin A (C) and LL-37 (L), showed significantly increased antibacterial activity and minimized hemolytic activity than C and L alone. To obtain high-level production of C–L, the deoxyribonucleic acid sequence encoding C–L with preferred codons was cloned into pET-SUMO to construct a fusion expression vector, and overexpressed in Escherichia coli (E. coli) BL21 (DE3). The maximum fusion protein (92% purity) was obtained with the yield of 8...
Source: Molecules - June 20, 2018 Category: Chemistry Authors: Xubiao Wei Rujuan Wu Lulu Zhang Baseer Ahmad Dayong Si Rijun Zhang Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1492: Identification of 2 ′,4′-Dihydroxychalcone as an Antivirulence Agent Targeting HlyU, a Master Virulence Regulator in Vibrio vulnificus
Molecules, Vol. 23, Pages 1492: Identification of 2′,4′-Dihydroxychalcone as an Antivirulence Agent Targeting HlyU, a Master Virulence Regulator in Vibrio vulnificus Molecules doi: 10.3390/molecules23061492 Authors: Saba Imdad Nayab Batool Subhra Pradhan Akhilesh Kumar Chaurasia Kyeong Kyu Kim The emergence of antimicrobial resistance and rapid acclimation allows Vibrio vulnificus to rapidly propagate in the host. This problematic pathological scenario can be circumvented by employing an antivirulence strategy, treating Vibrio infections without hindering the bacterial growth. We developed a gen...
Source: Molecules - June 20, 2018 Category: Chemistry Authors: Saba Imdad Nayab Batool Subhra Pradhan Akhilesh Kumar Chaurasia Kyeong Kyu Kim Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1493: Synthesis and Reactions of α-Hydroxyphosphonates
Molecules, Vol. 23, Pages 1493: Synthesis and Reactions of α-Hydroxyphosphonates Molecules doi: 10.3390/molecules23061493 Authors: Zita Rádai György Keglevich This review summarizes the main synthetic routes towards α-hydroxyphosphonates that are known as enzyme inhibitors, herbicides and antioxidants, moreover, a number of representatives express antibacterial or antifungal effect. Special attention is devoted to green chemical aspects. α-Hydroxyphosphonates are also versatile intermediates for other valuable derivatives. O-Alkylation and O-acylation are typical reac...
Source: Molecules - June 20, 2018 Category: Chemistry Authors: Zita R ádai Gy örgy Keglevich Tags: Review Source Type: research

Molecules, Vol. 23, Pages 1494: Cytotoxic Triterpenes from Salacia crassifolia and Metabolite Profiling of Celastraceae Species
John A. Beutler The new pentacyclic triterpene 11β-hydroxypristimerin (1), along with the known metabolites pristimerin (2), 6-oxopristimerol (3) and vitideasin (4), were isolated from a Salacia crassifolia root wood extract, following a bioassay-guided fractionation approach. Both the extract and the purified triterpenes displayed pronounced cytotoxic activity against human cancer cell lines. The NCI-60 cell line screen revealed that compound 2 was the most active, with a mean GI50 of 0.17 μM, while compound 1 had a mean GI50 of 8.7 μM. A COMPARE analysis of the screening results sho...
Source: Molecules - June 20, 2018 Category: Chemistry Authors: Laila S. Espindola Renata G. Dusi Daniel P. Demarque Raimundo Braz-Filho Pengcheng Yan Heidi R. Bokesch Kirk R. Gustafson John A. Beutler Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1495: Evaluation of the Effects of Isolated Lignin on Cellulose Enzymatic Hydrolysis of Corn Stover Pretreatment by NaOH Combined with Ozone
Ping Liu In this experiment, corn stover was treated with optimal combined pretreatment conditions: 2% NaOH at 80 °C treated 2 h combined with initial pH 9 at the ozone concentration of 78 mg/mL treated 25 min. The effect of lignin removal rate on the enzymatic hydrolysis degree of cellulose during the treatment process was studied. At the same time, the lignin in the optimal pretreated corn stover was separated and extracted by enzymatic acidolysis, and its structure and connection were characterized. The results showed that the alkali combined with ozone pretreatment improved the enzymatic hydrolysis deg...
Source: Molecules - June 20, 2018 Category: Chemistry Authors: Shuo Fang Wenhui Wang Shisheng Tong Chunyan Zhang Ping Liu Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1496: Constituents of Essential Oil and Lipid Fraction from the Aerial Part of Bupleurum scorzonerifolium Willd. (Apiaceae) from Different Habitats
Shilong Chen The essential oils and lipid fraction extracted from the aerial parts of Bupleurum scorzonerifolium were determined by a GC-MS method. In total, up to 67 components were identified. cis-β-Ocimene, trans-β-ocimene, limonene, α-pinene, α-copaene, β-elemene, and caryophyllene oxide were recognized as consistent components of the essential oil extracted from the aerial parts of B. scorzonerifolium, regardless of the habitat. The content of these components varied from traces to a significant amount. The volume of the lipid fraction varied from 2.73 to 9.38%. In total, 23 components ...
Source: Molecules - June 20, 2018 Category: Chemistry Authors: Zhargal Tykheev Svetlana Zhigzhitzhapova Faqi Zhang Vasiliy Taraskin Oleg Anenkhonov Larisa Radnaeva Shilong Chen Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1497: Synthesis, Structure, Chemical Stability, and In Vitro Cytotoxic Properties of Novel Quinoline-3-Carbaldehyde Hydrazones Bearing a 1,2,4-Triazole or Benzotriazole Moiety
rnicka A small library of novel quinoline-3-carbaldehyde hydrazones (Series 1), acylhydrazones (Series 2), and arylsulfonylhydrazones (Series 3) bearing either a 1,2,4-triazole or benzotriazole ring at position 2 was prepared, characterized by elemental analyses and IR, NMR, and MS spectra, and then subjected to in vitro cytotoxicity studies on three human tumor cell lines: DAN-G, LCLC-103H, and SISO. In general, compounds 4, 6, and 8 substituted with a 1,2,4-triazole ring proved to be inactive, whereas the benzotriazole-containing quinolines 5, 7, and 9 elicited pronounced cancer cell growth inhibitory effects with IC...
Source: Molecules - June 20, 2018 Category: Chemistry Authors: Martyna Korcz Franciszek S ączewski Patrick J. Bednarski Anita Kornicka Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1488: Insights into Resistance Mechanisms of Inhibitors to Mps1 C604Y Mutation via a Comprehensive Molecular Modeling Study
In this study, classical molecular dynamic (MD) simulations, accelerated MD (aMD) simulations, and umbrella sampling (US) simulations were performed to illustrate the resistance mechanisms of inhibitors to Mps1. The classical MD simulations combined with free energy calculations revealed that reversine features similar binding affinity characteristics to both Mps1WT and Mps1C604Y, but both NMS-P715 and Cpd-5 feature much higher binding affinities to Mps1WT than to Mps1C604Y. The major variations were shown to be controlled by electrostatic energy and the conformational change of A-loop-induced entropy increased. The large ...
Source: Molecules - June 20, 2018 Category: Chemistry Authors: Yuan Chen Wenquan Yu Cui-cui Jiang Jin-gui Zheng Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1483: Fatty Acid-Stimulated Insulin Secretion vs. Lipotoxicity
acute;-Hlavatá Fatty acid (FA)-stimulated insulin secretion (FASIS) is reviewed here in contrast to type 2 diabetes etiology, resulting from FA overload, oxidative stress, intermediate hyperinsulinemia, and inflammation, all converging into insulin resistance. Focusing on pancreatic islet β-cells, we compare the physiological FA roles with the pathological ones. Considering FAs not as mere amplifiers of glucose-stimulated insulin secretion (GSIS), but as parallel insulin granule exocytosis inductors, partly independent of the KATP channel closure, we describe the FA initiating roles in the prediabet...
Source: Molecules - June 19, 2018 Category: Chemistry Authors: Petr Je žek Martin Jab ůrek Blanka Holendov á Lydie Plecit á-Hlavatá Tags: Review Source Type: research

Molecules, Vol. 23, Pages 1484: A Review of the Extraction and Determination Methods of Thirteen Essential Vitamins to the Human Body: An Update from 2010
n Yang Guo-hui Li Vitamins are a class of essential nutrients in the body; thus, they play important roles in human health. The chemicals are involved in many physiological functions and both their lack and excess can put health at risk. Therefore, the establishment of methods for monitoring vitamin concentrations in different matrices is necessary. In this review, an updated overview of the main pretreatments and determination methods that have been used since 2010 is given. Ultrasonic assisted extraction, liquid–liquid extraction, solid phase extraction and dispersive liquid–liquid micro...
Source: Molecules - June 19, 2018 Category: Chemistry Authors: Yuan Zhang Wei-e Zhou Jia-qing Yan Min Liu Yu Zhou Xin Shen Ying-lin Ma Xue-song Feng Jun Yang Guo-hui Li Tags: Review Source Type: research

Molecules, Vol. 23, Pages 1486: Mitochondria-Targeting Small Molecules Effectively Prevent Cardiotoxicity Induced by Doxorubicin
Guozhen Cui Doxorubicin (Dox) is a chemotherapeutic agent widely used for the treatment of numerous cancers. However, the clinical use of Dox is limited by its unwanted cardiotoxicity. Mitochondrial dysfunction has been associated with Dox-induced cardiotoxicity. To mitigate Dox-related cardiotoxicity, considerable successful examples of a variety of small molecules that target mitochondria to modulate Dox-induced cardiotoxicity have appeared in recent years. Here, we review the related literatures and discuss the evidence showing that mitochondria-targeting small molecules are promising cardioprotective agents against...
Source: Molecules - June 19, 2018 Category: Chemistry Authors: Wei Shi Hongkuan Deng Jianyong Zhang Ying Zhang Xiufang Zhang Guozhen Cui Tags: Review Source Type: research

Molecules, Vol. 23, Pages 1485: A Novel Cyclodextrin-Functionalized Hybrid Silicon Wastewater Nano-Adsorbent Material and Its Adsorption Properties
inpeng Wang A novel cyclodextrin-functionalized hybrid silicon nano-adsorbent material (6-EA-β-CD-Si) was synthesized via the nucleophilic substitution method. The structure was detected by Fourier transform infrared (FT-IR), X-ray, thermogravimetric analysis, and Brunauer-Emmett-Teller (BET) analysis. Results reveal that the BET surface area of 6-EA-β-CD-Si is 240 m2/g and the average pore size is 4.16 nm. The adsorption properties of 6-EA-β-CD-Si onto methylene blue (MB) were studied and fitted with adsorption kinetic models. Both the Freundlich adsorption isotherm model and pse...
Source: Molecules - June 19, 2018 Category: Chemistry Authors: Jing Li Chao Qiu Haoran Fan Yuxiang Bai Zhengyu Jin Jinpeng Wang Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1477: Desmoglein1 Deficiency Is a Potential Cause of Cutaneous Eruptions Induced by Shuanghuanglian Injection
Yanjun Zhang Cutaneous eruption is a common drug-adverse reaction, characterised by keratinocytes inflammation and apoptosis. Shuanghuanglian injeciton (SHLI) is a typical Chinese medicine injection, which is used to treat influenza. It has been reported that SHLI has the potential to induce cutaneous adverse eruptions. However, the mechanisms remain unclear. Since desmoglein 1 (DSG1) shows a crucial role in maintaining skin barrier function and cell susceptibility, we assume that DSG1 plays a critical role in the cutaneous eruptions induced by SHLI. In our study, retinoic acid (RA) was selected to downregulate the DS...
Source: Molecules - June 19, 2018 Category: Chemistry Authors: Yidan Zhang Xiujun Zhang Shanshan Fan Lili Song Zhen Yang Pengwei Zhuang Yanjun Zhang Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1478: Parthenolide Inhibits STAT3 Signaling by Covalently Targeting Janus Kinases
Qiang Yu Aberrant activations of the STAT3 (signal transducer and activator of transcription 3) signaling pathway are associated with cancer and inflammatory diseases. Three of the four Janus kinases, JAK1, JAK2, and Tyk2, are the major upstream kinases of STAT3 in responses to cytokine stimulations. Among them, JAK2 is the key kinase in the IL-6-induced STAT3 phosphorylation. Here we report the mechanisms of a natural compound parthenolide from the medicinal herb Feverfew in regulating the JAK/STAT3 signaling. We found that parthenolide was a potent inhibitor of JAKs. It covalently modified the Cys178, Cys243, Cys3...
Source: Molecules - June 19, 2018 Category: Chemistry Authors: Man Liu Chengqian Xiao Mingwei Sun Minjia Tan Lihong Hu Qiang Yu Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1479: Targeting Transcription Factors for Cancer Treatment
ave;ne David-Cordonnier Transcription factors are involved in a large number of human diseases such as cancers for which they account for about 20% of all oncogenes identified so far. For long time, with the exception of ligand-inducible nuclear receptors, transcription factors were considered as “undruggable” targets. Advances knowledge of these transcription factors, in terms of structure, function (expression, degradation, interaction with co-factors and other proteins) and the dynamics of their mode of binding to DNA has changed this postulate and paved the way for new therapies targeted...
Source: Molecules - June 19, 2018 Category: Chemistry Authors: M élanie Lambert Samy Jambon Sabine Depauw Marie-H élène David-Cordonnier Tags: Review Source Type: research

Molecules, Vol. 23, Pages 1480: Analysis of the Volatile Profile of Core Chinese Mango Germplasm by Headspace Solid-Phase Microextraction Coupled with Gas Chromatography-Mass Spectrometry
Biao Wang Despite abundant published research on the volatile characterization of mango germplasm, the aroma differentiation of Chinese cultivars remains unclear. Using headspace solid phase microextraction (HS-SPME) coupled with gas chromatography–mass spectrometry (GC-MS), the composition and relative content of volatiles in 37 cultivars representing the diversity of Chinese mango germplasm were investigated. Results indicated that there are distinct differences in the components and content of volatile compounds among and within cultivars. In total, 114 volatile compounds, including 23 monoterpenes, 16...
Source: Molecules - June 19, 2018 Category: Chemistry Authors: Xiao-Wei Ma Mu-Qing Su Hong-Xia Wu Yi-Gang Zhou Song-Biao Wang Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1481: Ponasterone A and F, Ecdysteroids from the Arctic Bryozoan Alcyonidium gelatinosum
Espen Hansen A new ecdysteroid, ponasterone F (1) and the previously reported compound ponasterone A (2) were isolated from specimens of the Arctic marine bryozoan Alcyonidium gelatinosum collected at Hopenbanken, off the coast of Edgeøya, Svalbard. The structure of 1 was elucidated, and the structure of 2 confirmed by spectroscopic methods including 1D and 2D NMR and analysis of HR-MS data. The compounds were evaluated for their ability to affect bacterial survival and cell viability, as well as their agonistic activities towards the estrogen receptors α and β. The compound...
Source: Molecules - June 19, 2018 Category: Chemistry Authors: Kine Østnes Hansen Johan Isaksson Eirin Glomsaker Jeanette Hammer Andersen Espen Hansen Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1482: Compound K Induces Endoplasmic Reticulum Stress and Apoptosis in Human Liver Cancer Cells by Regulating STAT3
Xuewu Zhang The ginsenoside compound K (20-O-β-d-glucopyranosyl-20(S)-protopanaxadiol; CK) is an intestinal bacterial metabolite of ginseng protopanaxadiol saponin that has been reported to induce apoptosis in many cancer cells; however, the precise mechanisms of its activity in human hepatocellular carcinoma (HCC) cells remain unclear. Herein, we demonstrated that CK inhibited the growth and colony formation of HepG2 and SMMC-7721 cells, phenotypes that were mediated by inducing apoptosis. Meanwhile, CK showed lower toxicity in normal hepatoma cells. After treating HepG2 and SMMC-7721 cells with CK, p-STA...
Source: Molecules - June 19, 2018 Category: Chemistry Authors: Xuan Zhang Silin Zhang Qitong Sun Wenjun Jiao Yan Yan Xuewu Zhang Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1472: Identification of a 3-Alkylpyridinium Compound from the Red Sea Sponge Amphimedon chloros with In Vitro Inhibitory Activity against the West Nile Virus NS3 Protease
This study provides the first account of a 3-alkylpyridinium complex that exhibits a proposed antiviral activity by inhibiting the NS3 protease. We suggest that the here-described compound can be further modified to increase its stability and tested in a cell-based assay to explore its full potential as a potential novel antiviral capable of inhibiting WNV replication. (Source: Molecules)
Source: Molecules - June 18, 2018 Category: Chemistry Authors: Aubrie O ’Rourke Stephan Kremb Brendan M. Duggan Salim Sioud Najeh Kharbatia Misjudeen Raji Abdul-Hamid Emwas William H. Gerwick Christian R. Voolstra Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1473: Synthesis, Insecticidal, Fungicidal Activities and Structure –Activity Relationships of Tschimganin Analogs
Molecules, Vol. 23, Pages 1473: Synthesis, Insecticidal, Fungicidal Activities and Structure–Activity Relationships of Tschimganin Analogs Molecules doi: 10.3390/molecules23061473 Authors: Yueting Zhou Chunjuan Wang Fang Xin Xiaoqiang Han Jie Zhang Ke Sun For the first time, a novel series of tschimganin analogs were designed, synthesized, and evaluated for their insecticidal and fungicidal activities. Their structures were characterized by 1H-NMR, 13C-NMR and HRMS. Some of these compounds displayed excellent insecticidal and fungicidal activities, suggesting that they have potential to be used as b...
Source: Molecules - June 18, 2018 Category: Chemistry Authors: Yueting Zhou Chunjuan Wang Fang Xin Xiaoqiang Han Jie Zhang Ke Sun Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1474: Vasodilator Activity of Compounds Isolated from Plants Used in Mexican Traditional Medicine
This study indicates that meso-dihydroguaiaretic acid, corosolic acid, and 5,8,4′-trihydroxy-3,7-dimethoxyflavone could be used as lead compounds for the synthesis of new derivatives with a higher potency to be developed as drugs for the prevention and treatment of cardiovascular diseases. (Source: Molecules)
Source: Molecules - June 18, 2018 Category: Chemistry Authors: Francisco J. Luna-V ázquez C ésar Ibarra-Alvarado Mar ía del Rayo Camacho-Corona Alejandra Rojas-Molina J. Isela Rojas-Molina Abraham Garc ía Moustapha Bah Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1475: Recent Reports of Solid-Phase Cyclohexapeptide Synthesis and Applications
ing Sun Macrocyclic peptides are privileged scaffolds for drug development and constitute a significant portion of macrocyclic drugs on the market today in fields spanning from infectious disease to oncology. Developing orally bioavailable peptide-based drugs remains a challenging task; however, macrocyclization of linear peptides can be an effective strategy to improve membrane permeability, proteolytic stability, oral bioavailability, and overall drug-like characteristics for this class. Significant advances in solid-phase peptide synthesis (SPPS) have enabled the efficient construction of macrocyclic peptide and pep...
Source: Molecules - June 18, 2018 Category: Chemistry Authors: Allan M. Prior Taylor Hori Ashriel Fishman Dianqing Sun Tags: Review Source Type: research

Molecules, Vol. 23, Pages 1476: Comparison of Strategies to Overcome Drug Resistance: Learning from Various Kingdoms
a Drug resistance, especially antibiotic resistance, is a growing threat to human health. To overcome this problem, it is significant to know precisely the mechanisms of drug resistance and/or self-resistance in various kingdoms, from bacteria through plants to animals, once more. This review compares the molecular mechanisms of the resistance against phycotoxins, toxins from marine and terrestrial animals, plants and fungi, and antibiotics. The results reveal that each kingdom possesses the characteristic features. The main mechanisms in each kingdom are transporters/efflux pumps in phycotoxins, mutation and modificat...
Source: Molecules - June 18, 2018 Category: Chemistry Authors: Hiroshi Ogawara Tags: Review Source Type: research

Molecules, Vol. 23, Pages 1468: Determination of the Phenolic Profile and Antioxidant Properties of Salvia viridis L. Shoots: A Comparison of Aqueous and Hydroethanolic Extracts
iss Salvia viridis L. is an annual herb used in Mediterranean medicine. The purpose of this study was to determine the polyphenol profile of aqueous (decoction and infusion) and hydroethanolic extracts of aerial parts of field-grown S.viridis and to evaluate their antioxidant activity. The polyphenol profiling was performed via UPLC-DAD/ESI-MS. Additionally, the total polyphenol content in extracts tested were determined by UV-Vis spectrophotometry using the Folin-Ciocalteu assay. The antioxidant effect was evaluated by the FRAP, DPPH, ABTS, O2•− scavenging and TBARS methods. The hydroethanol...
Source: Molecules - June 17, 2018 Category: Chemistry Authors: Izabela Grzegorczyk-Karolak Anna K. Kiss Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1469: Anti-Proliferation Effect of Theasaponin E1 on the ALDH-Positive Ovarian Cancer Stem-Like Cells
u Yi Charlie Chen Ovarian cancer has the highest mortality rate of all gynecological malignancies and the five-year death rate of patients has remained high in the past five decades. Recently, with the rise of cancer stem cells (CSCs) theory, an increasing amount of research has suggested that CSCs give rise to tumor recurrence and metastasis. Theasaponin E1 (TSE1), which was isolated from green tea (Camellia sinensis) seeds, has been proposed to be an effective compound for tumor treatment. However, studies on whether TSE1 takes effect through CSCs have rarely been reported. In this paper, ALDH-positive (ALDH+) ovar...
Source: Molecules - June 17, 2018 Category: Chemistry Authors: Ling-Yan Jia Hui-Long Xia Zhi-Da Chen Casey Compton Heather Bucur Devendra A. Sawant Gary O. Rankin Bo Li You-Ying Tu Yi Charlie Chen Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1470: Modulation of Rat Hepatic CYP1A and 2C Activity by Honokiol and Magnolol: Differential Effects on Phenacetin and Diclofenac Pharmacokinetics In Vivo
k In-Soo Yoon Honokiol (2-(4-hydroxy-3-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol) and magnolol (4-Allyl-2-(5-allyl-2-hydroxy-phenyl)phenol) are the major active polyphenol constituents of Magnolia officinalis (Magnoliaceae) bark, which has been widely used in traditional Chinese medicine (Houpu Tang) for the treatment of various diseases, including anxiety, stress, gastrointestinal disorders, infection, and asthma. The aim of this study was to investigate the direct effects of honokiol and magnolol on hepatic CYP1A and 2C-mediated metabolism in vitro using rat liver microsomes and in vivo using the Sprague-Dawley rat ...
Source: Molecules - June 17, 2018 Category: Chemistry Authors: Sang-Bum Kim Kyu-Sang Kim Heon-Min Ryu Seong-Ho Hong Bo-Kyoung Kim Dae-Duk Kim Jin Woo Park In-Soo Yoon Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1471: Poly(alkylidenimine) Dendrimers Functionalized with the Organometallic Moiety [Ru( η5-C5H5)(PPh3)2]+ as Promising Drugs Against Cisplatin-Resistant Cancer Cells and Human Mesenchymal Stem Cells
Molecules, Vol. 23, Pages 1471: Poly(alkylidenimine) Dendrimers Functionalized with the Organometallic Moiety [Ru(η5-C5H5)(PPh3)2]+ as Promising Drugs Against Cisplatin-Resistant Cancer Cells and Human Mesenchymal Stem Cells Molecules doi: 10.3390/molecules23061471 Authors: Marisol Gouveia João Figueira Manuel G. Jardim Rita Castro Helena Tomás Kari Rissanen João Rodrigues Here and for the first time, we show that the organometallic compound [Ru(η5-C5H5)(PPh3)2Cl] (RuCp) has potential to be used as a metallodrug in anticancer therapy, and further present a new approa...
Source: Molecules - June 17, 2018 Category: Chemistry Authors: Marisol Gouveia Jo ão Figueira Manuel G. Jardim Rita Castro Helena Tom ás Kari Rissanen Jo ão Rodrigues Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1464: The Effects of Thiamine on Breast Cancer Cells
Conclusions: The treatment of MCF7 breast cancer cells with 1 μg/mL and 2 μg/mL of thiamine for 24 h significantly reduced their proliferation. This reduction is associated with a reduction in glycolysis and activation of the PDH complex in breast cancer cells. (Source: Molecules)
Source: Molecules - June 16, 2018 Category: Chemistry Authors: Xiaowen Liu Sophia Montissol Amy Uber Sarah Ganley Anne V. Grossestreuer Katherine Berg Stanley Heydrick Michael W. Donnino Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1465: Combining Albumin-Binding Properties and Interaction with Pemetrexed to Improve the Tissue Distribution of Radiofolates
In this study, PMX was combined with the currently best performing radiofolate ([177Lu]cm13), which is outfitted with an albumin-binding entity. Biodistribution studies were carried out in mice bearing KB or IGROV-1 tumor xenografts, both FR-positive tumor types. SPECT/CT was performed with control mice injected with [177Lu]folate only and with mice that received PMX in addition. Control mice showed high uptake of radioactivity in KB and IGROV-1 tumor xenografts, but retention in the kidneys was also high, resulting in tumor-to-kidney ratios of ~0.85 (4 h p.i.) and ~0.60 (24 h p.i.) or ~1.17 (4 h p.i.) and ~1.11 (24 h p.i....
Source: Molecules - June 16, 2018 Category: Chemistry Authors: Cristina M üller Patrycja Guzik Klaudia Siwowska Susan Cohrs Raffaella M. Schmid Roger Schibli Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1466: Cobalt(II) Complexes with N,N,N-Scorpionates and Bidentate Ligands: Comparison of Hydrotris(3,5-dimethylpyrazol-1-yl)borate Tp* vs. Phenyltris(4,4-dimethyloxazolin-2-yl)borate ToM to Control the Structural Properties and Reactivities of Cobalt Centers
o Hikichi Scorpionate ligands Tp* (hydrotris(3,5-dimethylpyrazol-1-yl)borate) and ToM (tris(4,4-dimethyloxazolin-2-yl)phenylborate) complexes of cobalt(II) with bidentate ligands were synthesized. Both Tp* and ToM coordinate to cobalt(II) in a tridentate fashion when the bidentate ligand is the less hindered acetylacetonate. In crystal structures, the geometry of cobalt(II) supported by the N3O2 donor set in the Tp* complex is a square-pyramid, whereas that in the ToM complex is close to a trigonal-bipyramid. Both Tp*- and ToM-acac complexes exhibit solvatochromic behavior, although the changing structural equilibria o...
Source: Molecules - June 16, 2018 Category: Chemistry Authors: Toshiki Nishiura Takahiro Uramoto Yuichiro Takiyama Jun Nakazawa Shiro Hikichi Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1467: Identification and Characterization of Flavonoid Biosynthetic Enzyme Genes in Salvia miltiorrhiza (Lamiaceae)
anfa Lu Flavonoids are a class of important secondary metabolites with a broad spectrum of pharmacological functions. Salvia miltiorrhiza Bunge (Danshen) is a well-known traditional Chinese medicinal herb with a broad diversity of flavonoids. However, flavonoid biosynthetic enzyme genes have not been systematically and comprehensively analyzed in S. miltiorrhiza. Through genome-wide prediction and molecular cloning, twenty six flavonoid biosynthesis-related gene candidates were identified, of which twenty are novel. They belong to nine families potentially encoding chalcone synthase (CHS), chalcone isomerase (CHI), fla...
Source: Molecules - June 16, 2018 Category: Chemistry Authors: Yuxing Deng Caili Li Heqin Li Shanfa Lu Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1454: Phosphoproteomics of Retinoblastoma: A Pilot Study Identifies Aberrant Kinases
Harsha Gowda Sailaja V. Elchuri Retinoblastoma is a malignant tumour of the retina which most often occurs in children. Earlier studies on retinoblastoma have concentrated on the identification of key players in the disease and have not provided information on activated/inhibited signalling pathways. The dysregulation of protein phosphorylation in cancer provides clues about the affected signalling cascades in cancer. Phosphoproteomics is an ideal tool for the study of phosphorylation changes in proteins. Hence, global phosphoproteomics of retinoblastoma (RB) was carried out to identify signalling events associate...
Source: Molecules - June 15, 2018 Category: Chemistry Authors: Lakshmi Dhevi Nagarajha Selvan Ravikanth Danda Anil K. Madugundu Vinuth N. Puttamallesh Gajanan J. Sathe Uma Maheswari Krishnan Vikas Khetan Pukhraj Rishi Thottethodi Subrahmanya Keshava Prasad Akhilesh Pandey Subramanian Krishnakumar Harsha Gowda Sailaja Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1455: Synergistic Effects of Resveratrol and Pyrimethanil against Botrytis cinerea on Grape
In this study, we showed excellent synergistic interactions between resveratrol and pyrimethanil. Significant synergistic values were recorded by the two-drug combination on the suppression of mycelial growth and conidia germination of B. cinerea. The combination of resveratrol and pyrimethanil caused malformation of mycelia. Moreover, the inoculation assay was conducted on table grape and consistent synergistic suppression of the two-drug combination was found in vivo. Our findings first revealed that the combination of resveratrol and pyrimethanil has synergistic effects against resistant B. cinerea and support the poten...
Source: Molecules - June 15, 2018 Category: Chemistry Authors: Dandan Xu Ge Yu Pinggen Xi Xiangyu Kong Qi Wang Lingwang Gao Zide Jiang Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1456: The Possible Reduction Mechanism of Volatile Sulfur Compounds during Durian Wine Fermentation Verified in Modified Buffers
ao-Quan Liu Durian fruit is rich in volatile sulfur compounds (VSCs), especially thiols and disulfides, which contribute to its onion-like odor. After fermentation, these VSCs were reduced to trace or undetectable levels in durian wine. The possible reduction mechanism of these VSCs (especially diethyl disulfide and ethanethiol) was investigated in a modified buffer in the presence of sulfite at different pH. An interconversion between diethyl disulfide and ethanethiol was found to be dependent on the pH: the higher the pH, the higher production of ethanethiol. It is suggested that, during durian wine fermentation, dis...
Source: Molecules - June 15, 2018 Category: Chemistry Authors: Yuyun Lu Alicia Sarah Yoke Ling Fong Jian-Yong Chua Dejian Huang Pin-Rou Lee Shao-Quan Liu Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1457: Phosphorus Pentachloride Promoted gem-Dichlorination of 2 ′- and 3′-Deoxynucleosides
Molecules, Vol. 23, Pages 1457: Phosphorus Pentachloride Promoted gem-Dichlorination of 2′- and 3′-Deoxynucleosides Molecules doi: 10.3390/molecules23061457 Authors: Fabio da Paixao Soares Elisabetta Groaz Piet Herdewijn Halogen substitution at various positions of canonical nucleosides has generated a number of bioactive structural variants. Herein, the synthesis of two unique series of sugar modified nucleosides bearing a gem-dichloro group is presented. The synthetic plan entails the controlled addition of phosphorus pentachloride to suitably protected 2′- or 3′-ketode...
Source: Molecules - June 15, 2018 Category: Chemistry Authors: Fabio da Paixao Soares Elisabetta Groaz Piet Herdewijn Tags: Article Source Type: research

Molecules, Vol. 23, Pages 1458: Density Functional Theory Analysis of Deltamethrin and Its Determination in Strawberry by Surface Enhanced Raman Spectroscopy
In conclusion, the deltamethrin in strawberry could be qualitatively analyzed and quantitatively determined by SERS based on AuNPs enhancement, which provides a new detection scheme for deltamethrin residue determination in strawberry. (Source: Molecules)
Source: Molecules - June 15, 2018 Category: Chemistry Authors: Tao Dong Lei Lin Yong He Pengcheng Nie Fangfang Qu Shupei Xiao Tags: Article Source Type: research