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Molecules, Volume 22, Issue 12

2017 December - 242 articles

Cover Story: Bi-functional Nb–Beta zeolite catalysts display high efficiency for the catalytic wet oxidation of glucose to succinic acid. Most probably, the extra framework aluminum species dehydrate glucose to levulinic acid which, in turn, is efficiently oxidized to succinic acid by the Nb species. The reactions are carried out using water as solvent, with molecular oxygen as the sole oxidation reagent. These catalysts also demonstrate very good stability in water, having been successfully recycled several times. View this paper
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Articles (242)

  • Article
  • Open Access
5 Citations
6,513 Views
17 Pages

Novel Mixed-Type Inhibitors of Protein Tyrosine Phosphatase 1B. Kinetic and Computational Studies

  • Marie Jazmín Sarabia-Sánchez,
  • Pedro Josué Trejo-Soto,
  • José Miguel Velázquez-López,
  • Carlos Carvente-García,
  • Rafael Castillo,
  • Alicia Hernández-Campos,
  • Claudia Avitia-Domínguez,
  • Daniel Enríquez-Mendiola,
  • Erick Sierra-Campos and
  • Alfredo Téllez-Valencia
  • + 2 authors

20 December 2017

The Atlas of Diabetes reports 415 million diabetics in the world, a number that has surpassed in half the expected time the twenty year projection. Type 2 diabetes is the most frequent form of the disease; it is characterized by a defect in the secre...

  • Article
  • Open Access
46 Citations
7,008 Views
13 Pages

Calli Essential Oils Synergize with Lawsone against Multidrug Resistant Pathogens

  • Sameh S. M. Soliman,
  • Abrar I. Alsaadi,
  • Eman G. Youssef,
  • Gregory Khitrov,
  • Ayman M. Noreddin,
  • Mohamed I. Husseiny and
  • Ashraf S. Ibrahim

20 December 2017

The fast development of multi-drug resistant (MDR) organisms increasingly threatens global health and well-being. Plant natural products have been known for centuries as alternative medicines that can possess pharmacological characteristics, includin...

  • Article
  • Open Access
15 Citations
6,724 Views
16 Pages

Activation of Recombinantly Expressed l-Amino Acid Oxidase from Rhizoctonia solani by Sodium Dodecyl Sulfate

  • Katharina Hahn,
  • Yvonne Hertle,
  • Svenja Bloess,
  • Tilman Kottke,
  • Thomas Hellweg and
  • Gabriele Fischer von Mollard

20 December 2017

l-Amino acid oxidases (l-AAO) catalyze the oxidative deamination of l-amino acids to the corresponding α-keto acids. The non-covalently bound cofactor FAD is reoxidized by oxygen under formation of hydrogen peroxide. We expressed an active l-AAO from...

  • Article
  • Open Access
9 Citations
5,469 Views
11 Pages

20 December 2017

Gallnut water extract (GWE) enriches 80~90% of gallnut tannic acid (TA). In order to study the biodegradation of GWE into gallic acid (GA), the LHS-1 strain, a variant of Aspergillus niger, was chosen to determine the optimal degradation parameters f...

  • Communication
  • Open Access
8 Citations
4,999 Views
7 Pages

A Water Cluster Conduit in Crystal

  • Fangfang Jian,
  • E Liu and
  • Jiao Xu

20 December 2017

The crystal structure of compound (1), [CuCl(phen)(H2NCH2COO)]∙4H2O, reveals an unusual hydrogen-bond water cluster aggregate T6(2)6(2). Four water molecules in (1) form an isolated water cluster, [(H2O)14]n, resembling a “phenanthro-[1,2]phenanthren...

  • Article
  • Open Access
27 Citations
6,724 Views
11 Pages

Labdane-Type Diterpenes, Galangalditerpenes A–C, with Melanogenesis Inhibitory Activity from the Fruit of Alpinia galanga

  • Yoshiaki Manse,
  • Kiyofumi Ninomiya,
  • Ryosuke Nishi,
  • Yoshinori Hashimoto,
  • Saowanee Chaipech,
  • Osamu Muraoka and
  • Toshio Morikawa

20 December 2017

In our continuing study of biologically active natural products from the fruit of Alpinia galanga (Zingiberaceae), we newly isolated three new labdane-type diterpenes, termed galangalditerpenes A–C (13), along with four known sesquiterpenes (47) an...

  • Article
  • Open Access
8 Citations
5,165 Views
17 Pages

Zinc Ion Removal on Hybrid Pectin-Based Beads Containing Modified Poly(Methyl Methacrylate) Waste

  • Agata Jakóbik-Kolon,
  • Adrianna Szybaj,
  • Krzysztof Mitko and
  • Joanna Bok-Badura

20 December 2017

A new hybrid sorbent in the form of round beads containing modified poly(methyl methacrylate) (PMMA) waste immobilized in pectin and crosslinked with calcium ions was prepared. A previously obtained and characterized powdered poly(methyl methacrylate...

  • Review
  • Open Access
10 Citations
8,483 Views
17 Pages

PP2A as the Main Node of Therapeutic Strategies and Resistance Reversal in Triple-Negative Breast Cancer

  • Henan Zhao,
  • Duojiao Li,
  • Baojing Zhang,
  • Yan Qi,
  • Yunpeng Diao,
  • Yuhong Zhen and
  • Xiaohong Shu

20 December 2017

Triple negative breast cancer (TNBC), is defined as a type of tumor lacking the expression of estrogen receptor (ER), progesterone receptor (PR) and human epidermal growth factor receptor 2 (HER2). The ER, PR and HER2 are usually the molecular therap...

  • Article
  • Open Access
73 Citations
8,880 Views
14 Pages

Thermal and Antioxidant Properties of Polysaccharides Sequentially Extracted from Mulberry Leaves (Morus alba L.)

  • Bu-Yan Liao,
  • Dan-Ye Zhu,
  • Kiran Thakur,
  • Ling Li,
  • Jian-Guo Zhang and
  • Zhao-Jun Wei

20 December 2017

Polysaccharides from natural plant products are gaining considerable attention due to their multi-faceted health effects, as well their functional applications in food production. We reported the sequential extraction of mulberry leaf polysaccharides...

  • Article
  • Open Access
84 Citations
8,127 Views
11 Pages

Increasing Antioxidant Activity and Protein Digestibility in Phaseolus vulgaris and Avena sativa by Fermentation with the Pleurotus ostreatus Fungus

  • Edith Espinosa-Páez,
  • Ma. Guadalupe Alanis-Guzmán,
  • Carlos E. Hernández-Luna,
  • Juan G. Báez-González,
  • Carlos A. Amaya-Guerra and
  • Ana M. Andrés-Grau

20 December 2017

The aim of the research was to determine the impact of fermentation with Pleurotus ostreatus on kidney beans, black beans, and oats. The results indicate that the fungus has a positive effect on the substrates when compared to the controls. The antio...

  • Article
  • Open Access
28 Citations
6,559 Views
18 Pages

UPLC Quantitative Analysis of Multi-Components by Single Marker and Quality Evaluation of Polygala tenuifolia Wild. Extracts

  • Rui Xu,
  • Fuying Mao,
  • Yunsheng Zhao,
  • Wenping Wang,
  • Lingling Fan,
  • Xiaojuan Gao,
  • Jianjun Zhao and
  • Hongling Tian

20 December 2017

The quality control of Polygala tenuifolia Wild. is a major challenge in its clinical application. In this paper, a new strategy for the quality evaluation of P. tenuifolia extracts was verified through reverse-phase ultra-performance liquid chromato...

  • Article
  • Open Access
11 Citations
4,438 Views
17 Pages

Adsorption of Cd (II) on Modified Granular Activated Carbons: Isotherm and Column Study

  • Paola Rodríguez-Estupiñán,
  • Alessandro Erto,
  • Liliana Giraldo and
  • Juan Carlos Moreno-Piraján

20 December 2017

In this work, equilibrium and dynamic adsorption tests of cadmium Cd (II) on activated carbons derived from different oxidation treatments (with either HNO3, H2O2, or NaOCl, corresponding to GACoxN, GACoxP, and GACoxCl samples) are presented. The oxi...

  • Article
  • Open Access
15 Citations
5,501 Views
11 Pages

Modulation of the Selectivity in Anions Recognition Processes by Combining Hydrogen- and Halogen-Bonding Interactions

  • Fabiola Zapata,
  • Sergio J. Benítez-Benítez,
  • Paula Sabater,
  • Antonio Caballero and
  • Pedro Molina

20 December 2017

Most of the halogen bonding receptors for anions described use halogen bonding binding sites solely in the anion recognition process; only a few examples report the study of anion receptors in which the halogen bonding interaction has been used in co...

  • Article
  • Open Access
6 Citations
4,892 Views
13 Pages

20 December 2017

The reaction of 2-acetyl- and 2-benzoyl-1,4-naphthoquinone with (Z)-methyl 3-(hydroxymethyl)aminocrotonate proceeds through a formal [3+3] process to yield the corresponding 1,2-dihydrobenzisoquinolinequinones in 63% and 72% yield, respectively. The...

  • Review
  • Open Access
96 Citations
9,164 Views
19 Pages

Vanadium Compounds as PTP Inhibitors

  • Elsa Irving and
  • Andrew W. Stoker

19 December 2017

Phosphotyrosine signaling is regulated by the opposing actions of protein tyrosine kinases (PTKs) and protein tyrosine phosphatases (PTPs). Here we discuss the potential of vanadium derivatives as PTP enzyme inhibitors and metallotherapeutics. We des...

  • Article
  • Open Access
8 Citations
6,053 Views
12 Pages

19 December 2017

Background: Although domain IV of annexin A5 (anxA5) may be less effective in binding phosphatidylserine (PS), the four domains together may guarantee the maximum binding of anxA5 to the PS membrane. Additionally, previous research has shown that ann...

  • Article
  • Open Access
7 Citations
5,706 Views

Diarylheptanoid Glycosides of Morella salicifolia Bark

  • Edna Makule,
  • Thomas J. Schmidt,
  • Jörg Heilmann and
  • Birgit Kraus

19 December 2017

A methanolic extract of Morella salicifolia bark was fractionated by various chromatographic techniques yielding six previously unknown cyclic diarylheptanoids, namely, 7-hydroxymyricanol 5-O-β-d-glucopyranoside (1), juglanin B 3-O-β-d-glucopyranosid...

  • Review
  • Open Access
155 Citations
13,556 Views
22 Pages

Quinoline-Based Hybrid Compounds with Antimalarial Activity

  • Xhamla Nqoro,
  • Naki Tobeka and
  • Blessing A. Aderibigbe

19 December 2017

The application of quinoline-based compounds for the treatment of malaria infections is hampered by drug resistance. Drug resistance has led to the combination of quinolines with other classes of antimalarials resulting in enhanced therapeutic outcom...

  • Article
  • Open Access
34 Citations
6,386 Views
12 Pages

Studies on the Anti-Oxidative Function of trans-Cinnamaldehyde-Included β-Cyclodextrin Complex

  • Munkhtugs Davaatseren,
  • Yeon-Ji Jo,
  • Geun-Pyo Hong,
  • Haeng Jeon Hur,
  • Sujin Park and
  • Mi-Jung Choi

19 December 2017

trans-Cinnamaldehyde (tCIN), an active compound found in cinnamon, is well known for its antioxidant, anticancer, and anti-inflammatory activities. The β-cyclodextrin (β-CD) oligomer has been used for a variety of applications in nanotechnology, incl...

  • Review
  • Open Access
196 Citations
27,308 Views
23 Pages

Amikacin: Uses, Resistance, and Prospects for Inhibition

  • Maria S. Ramirez and
  • Marcelo E. Tolmasky

19 December 2017

Aminoglycosides are a group of antibiotics used since the 1940s to primarily treat a broad spectrum of bacterial infections. The primary resistance mechanism against these antibiotics is enzymatic modification by aminoglycoside-modifying enzymes that...

  • Article
  • Open Access
8 Citations
6,637 Views
14 Pages

19 December 2017

To explore small molecules with ethylene-like biological activity, we conducted a triple response-based assay system for chemical library screening. Among 9600 compounds, we found N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-2-naphthalenesulf...

  • Review
  • Open Access
75 Citations
13,413 Views
16 Pages

18 December 2017

Studies on the following were reviewed: (1) the structure of spiropyrans and spirooxazines (two kinds of spiro compounds) under external stimuli and (2) the construction and applications of composite systems based on fluorescence resonance energy tra...

  • Article
  • Open Access
26 Citations
8,237 Views
14 Pages

18 December 2017

In order to facilely achieve pretreatment and salt-free dyeing of greige knitted cotton fabrics, a combinative scouring, bleaching, and cationization pretreatment of the fabrics is designed in this study. The fabrics are first treated in a bath conta...

  • Article
  • Open Access
28 Citations
6,574 Views
12 Pages

18 December 2017

We investigate diosmin for its effect on the ARPE-19 human retinal pigment epithelial cells exposed to high glucose, a model of diabetic retinopathy (DR). After incubation for 4 days with a normal (5 mmol/L) concentration of D-glucose, ARPE-19 cells...

  • Article
  • Open Access
13 Citations
5,820 Views
15 Pages

18 December 2017

Headache is a common episodic or chronic neurologic disorder. Treatment options and diagnosis are restricted by an incomplete understanding of disease pathology and the lack of diagnostic markers. Wu-Zhu-Yu decoction (WZYD), a traditional Chinese med...

  • Article
  • Open Access
5,603 Views
17 Pages

Acid-Induced Rearrangement of Epoxygermacranolides: Synthesis of Furanoheliangolides and Cadinanes from Nobilin

  • Maria De Mieri,
  • Martin Smieško,
  • Isidor Ismajili,
  • Marcel Kaiser and
  • Matthias Hamburger

18 December 2017

The acid-induced rearrangement of three epoxyderivatives of nobilin 1, the most abundant sesquiterpene lactone in Anthemis nobilis flowers, was investigated. From the 1,10-epoxyderivative 2, furanoheliangolide 5 was obtained, while the 4,5-epoxy grou...

  • Article
  • Open Access
15 Citations
5,487 Views
17 Pages

GPCR Modulation of Thieno[2,3-b]pyridine Anti-Proliferative Agents

  • Ayesha Zafar,
  • Suat Sari,
  • Euphemia Leung,
  • Lisa I. Pilkington,
  • Michelle Van Rensburg,
  • David Barker and
  • Jóhannes Reynisson

18 December 2017

A panel of docking scaffolds was developed for the known molecular targets of the anticancer agents, thieno[2,3-b]pyridines, in order to glean insight into their mechanism of action. The reported targets are the copper-trafficking antioxidant 1 prote...

  • Article
  • Open Access
11 Citations
6,026 Views
18 Pages

Microemulsion and Sol-Gel Synthesized ZrO2-MgO Catalysts for the Liquid-Phase Dehydration of Xylose to Furfural

  • Almudena Parejas,
  • Vicente Montes,
  • Jesús Hidalgo-Carrillo,
  • Elena Sánchez-López,
  • Alberto Marinas and
  • Francisco J. Urbano

18 December 2017

Two series of catalysts were prepared by sol-gel and microemulsion synthetic procedure (SG and ME, respectively). Each series includes both pure Mg and Zr solids as well as Mg-Zr mixed solids with 25%, 50% and 75% nominal Zr content. The whole set of...

  • Article
  • Open Access
23 Citations
6,574 Views
13 Pages

Pathogenic Acanthamoeba castellanii Secretes the Extracellular Aminopeptidase M20/M25/M40 Family Protein to Target Cells for Phagocytosis by Disruption

  • Jian-Ming Huang,
  • Chen-Chieh Liao,
  • Chung-Ching Kuo,
  • Lih-Ren Chen,
  • Lynn L. H. Huang,
  • Jyh-Wei Shin and
  • Wei-Chen Lin

18 December 2017

Acanthamoeba is free-living protist pathogen capable of causing a blinding keratitis and granulomatous encephalitis. However, the mechanisms of Acanthamoeba pathogenesis are still not clear. Here, our results show that cells co-cultured with pathogen...

  • Article
  • Open Access
22 Citations
6,126 Views
22 Pages

18 December 2017

Eucommia ulmoides is a model representative of the dioecious plants with sex differentiation at initiation. Nevertheless, the genetic mechanisms of sexual dimorphism and sex determination in E. ulmoides remain poorly understood. In this study de novo...

  • Article
  • Open Access
84 Citations
7,191 Views
11 Pages

18 December 2017

Radix Codonopsis has been used in traditional Chinese medicine for strengthening the immune system, improving poor gastrointestinal function, treating gastric ulcers and chronic gastritis and so on. In the present study, an inulin-type fructan CP-A w...

  • Article
  • Open Access
10 Citations
4,922 Views
10 Pages

AetMYC1, the Candidate Gene Controlling the Red Coleoptile Trait in Aegilops tauschii Coss. Accession As77

  • Dong Cao,
  • Guangji Ye,
  • Yuan Zong,
  • Bo Zhang,
  • Wenjie Chen,
  • Baolong Liu and
  • Huaigang Zhang

18 December 2017

The red coleoptile trait can help monocotyledonous plants withstand stresses, and key genes responsible for the trait have been isolated from Triticum aestivum, Triticum urartu, and Triticum monococcum, but no corresponding research has been reported...

  • Article
  • Open Access
7 Citations
5,592 Views
24 Pages

Synthesis and Biocompatibility Studies of New Iminodiacetic Acid Derivatives

  • Magdalena Markowicz-Piasecka,
  • Piotr Dębski,
  • Elżbieta Mikiciuk-Olasik and
  • Joanna Sikora

18 December 2017

Background: Iminodiacetic acid (IDA) derivatives can be used as ligands to form complexes with technetium, with potential application as hepatobiliary diagnostic agents. The aim of this study was to synthesize five novel IDA derivatives and to compar...

  • Article
  • Open Access
1 Citations
4,889 Views
13 Pages

Four New Compounds Obtained from Cultured Cells of Artemisia annua

  • Jianhua Zhu,
  • Peijie Xiao,
  • Minghua Qian,
  • Chang Chen,
  • Chuxin Liang,
  • Jiachen Zi and
  • Rongmin Yu

18 December 2017

Four new compounds obtained from cultured cells of Artemisia annua were reported. Products were detected by HPLC-ELSD/GC-MS and isolated by chromatographic methods. The structures of four new compounds, namely 6-hydroxy arteannuin I (1), 1-hydroxy ar...

  • Article
  • Open Access
16 Citations
6,543 Views
15 Pages

Optimizing the Maximum Recovery of Dihydromyricetin from Chinese Vine Tea, Ampelopsis grossedentata, Using Response Surface Methodology

  • Umair Muhammad,
  • Hedong Lu,
  • Juan Wang,
  • Jinzhi Han,
  • Xiaoyu Zhu,
  • Zhaoxin Lu,
  • Sultana Tayyaba and
  • Yousef I. Hassan

18 December 2017

This work provides an optimized extraction approach intended to maximize the recovery of dihydromyricetin (DHM) from Chinese vine tea (Ampelopsis grossedentata) leaves. The presented work adopts a Box-Behnken design as a response surface methodology...

  • Article
  • Open Access
18 Citations
6,023 Views
10 Pages

18 December 2017

Background: Wuzhimaotao (the dry root of Ficus hirta) is used as both medicine and food ingredient by the locals in areas around Nanling Mountains of China. Due to its very similar external morphologies with Duanchangcao (the root of Gelsemium elegan...

  • Article
  • Open Access
22 Citations
6,035 Views
29 Pages

In Vitro Investigation of the Interaction of Tolbutamide and Losartan with Human Serum Albumin in Hyperglycemia States

  • Agnieszka Szkudlarek,
  • Danuta Pentak,
  • Anna Ploch,
  • Jadwiga Pożycka and
  • Małgorzata Maciążek-Jurczyk

17 December 2017

Serum albumin is exposed to numerous structural modifications which affect its stability and activity. Glycation is one of the processes leading to the loss of the original properties of the albumin and physiological function disorder. In terms of lo...

  • Article
  • Open Access
25 Citations
6,596 Views
16 Pages

Are Diatoms “Green” Aluminosilicate Synthesis Microreactors for Future Catalyst Production?

  • Lydia Köhler,
  • Susanne Machill,
  • Anja Werner,
  • Carolin Selzer,
  • Stefan Kaskel and
  • Eike Brunner

16 December 2017

Diatom biosilica may offer an interesting perspective in the search for sustainable solutions meeting the high demand for heterogeneous catalysts. Diatomaceous earth (diatomite), i.e., fossilized diatoms, is already used as adsorbent and carrier mate...

  • Article
  • Open Access
43 Citations
5,885 Views
13 Pages

Bioremediation of Synthetic and Industrial Effluents by Aspergillus niger Isolated from Contaminated Soil Following a Sequential Strategy

  • Tahsin Gulzar,
  • Tayyaba Huma,
  • Fatima Jalal,
  • Sarosh Iqbal,
  • Shazia Abrar,
  • Shumaila Kiran,
  • Sofia Nosheen,
  • Waqar Hussain and
  • Muhammad Asim Rafique

16 December 2017

The present study aimed to assess and compare the ability to remediate synthetic textile and industrial wastewaters by Fenton treatment, a biological system and sequential treatments using Aspergillus niger (A. niger). All studied treatments were fou...

  • Article
  • Open Access
24 Citations
5,311 Views
16 Pages

Synthesis of TiO2 with Hierarchical Porosity for the Photooxidation of Propene

  • Javier Fernández-Catalá,
  • Laura Cano-Casanova,
  • María Ángeles Lillo-Ródenas,
  • Ángel Berenguer-Murcia and
  • Diego Cazorla-Amorós

16 December 2017

The elimination of volatile organic compounds (VOCs) at low concentration is a subject of great interest because these compounds are very harmful for the environment and human health. In this work, we have developed a synthesis methodology of TiO2 th...

  • Article
  • Open Access
31 Citations
5,434 Views
12 Pages

The Influence of the Osmotic Dehydration Process on Physicochemical Properties of Osmotic Solution

  • Krzysztof Lech,
  • Anna Michalska,
  • Aneta Wojdyło,
  • Paulina Nowicka and
  • Adam Figiel

16 December 2017

The osmotic dehydration (OD) process consists of the removal of water from a material during which the solids from the osmotic solution are transported to the material by osmosis. This process is commonly performed in sucrose and salt solutions. Taki...

  • Article
  • Open Access
49 Citations
6,682 Views
17 Pages

16 December 2017

Combining antibiotics with resistance reversing agents is a key strategy to overcome bacterial resistance. Upon screening antimicrobial activities of plants used in traditional medicine, we found that a leaf dichloromethane extract from the shea butt...

  • Communication
  • Open Access
13 Citations
4,414 Views
15 Pages

Synthesis and Biological Activity of 2′,3′-iso-Aryl-abscisic Acid Analogs

  • Chuan Wan,
  • Mingan Wang,
  • Dongyan Yang,
  • Xiaoqiang Han,
  • Chuanliang Che,
  • Shanshan Ding,
  • Yumei Xiao and
  • Zhaohai Qin

15 December 2017

2′,3′-iso-Benzoabscisic acid (iso-PhABA), an excellent selective abscisic acid (ABA) analog, was developed in our previous work. In order to find its more structure-activity information, some structural modifications were completed in this paper, inc...

  • Article
  • Open Access
7 Citations
5,439 Views
11 Pages

rLj-RGD3 Suppresses the Growth of HeyA8 Cells in Nude Mice

  • Yuanyuan Zheng,
  • Li Lv,
  • Longda Yi,
  • Rui Wu,
  • Rong Xiao and
  • Jihong Wang

15 December 2017

In the previous study, rLj-RGD3, a recombinant toxin protein which contains three RGD motifs, was reported to not only inhibit the proliferation of an ovarian cancer cell line, HeyA8 cells, by inducing apoptosis, but also block their adhesion, migrat...

  • Article
  • Open Access
34 Citations
6,527 Views
21 Pages

15 December 2017

Anthocyanidin reductase (ANR) is a key enzyme in the ANR biosynthetic pathway of flavan-3-ols and proanthocyanidins (PAs) in plants. Herein, we report characterization of the ANR pathway of flavan-3-ols in Shuchazao tea (Camellia sinesis), which is a...

  • Article
  • Open Access
12 Citations
5,104 Views
17 Pages

Design of New-Generation Usable Forms of Topical Haemostatic Agents Containing Chitosan

  • Dorota Zielińska,
  • Marcin H. Struszczyk,
  • Longina Madej-Kiełbik,
  • Edyta Chmal-Fudali,
  • Magdalena Kucharska,
  • Maria Wiśniewska-Wrona and
  • Kinga Brzoza-Malczewska

15 December 2017

Designing usable forms of topical haemostatic agents is the most important activity during the design process, resulting in strengthened functional properties of the final medical devices. This study aimed to propose indications for a research progra...

  • Article
  • Open Access
2 Citations
5,114 Views
18 Pages

15 December 2017

Protein-ligand docking is an essential part of computer-aided drug design, and it identifies the binding patterns of proteins and ligands by computer simulation. Though Lamarckian genetic algorithm (LGA) has demonstrated excellent performance in term...

  • Article
  • Open Access
13 Citations
6,220 Views
18 Pages

15 December 2017

Background: Commercial pharmaceutical herbal products have enabled people to take traditional Chinese medicine (TCM) in a convenient and accessible form. However, the quantity and quality should be additionally inspected. To address the issue, a comb...

  • Article
  • Open Access
10 Citations
6,220 Views
19 Pages

New Insights into Solid Form Stability and Hydrate Formation: o-Phenanthroline HCl and Neocuproine HCl

  • Doris E. Braun,
  • Katharina Raabe,
  • Anna Schneeberger,
  • Volker Kahlenberg and
  • Ulrich J. Griesser

15 December 2017

The moisture- and temperature dependent stabilities and interrelation pathways of the practically relevant solid forms of o-phenanthroline HCl (1) and neocuproine HCl (2) were investigated using thermal analytical techniques (HSM, DSC and TGA) and gr...

  • Communication
  • Open Access
29 Citations
6,237 Views
11 Pages

Antifungal Activity of Ramulus cinnamomi Explored by 1H-NMR Based Metabolomics Approach

  • Chunpeng Wan,
  • Pei Li,
  • Chuying Chen,
  • Xuan Peng,
  • Mingxi Li,
  • Ming Chen,
  • Junsong Wang and
  • Jinyin Chen

15 December 2017

A 1H nuclear magnetic resonance (NMR)-based approach to metabolomics combined bioassay was used to elucidate the antifungal activity of cinnamaldehyde (the main active compound of Ramulus cinnamomi) isolated from Ramulus cinnamomi (RC). Orthogonal si...

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Molecules - ISSN 1420-3049