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Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry

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https://www.readbyqxmd.com/read/27929446/decomposition-of-intermolecular-interactions-in-the-crystal-structure-of-some-diacetyl-platinum-ii-complexes-combined-hirshfeld-aim-and-nbo-analyses
#1
Saied M Soliman, Assem Barakat
Intermolecular interactions play a vital role in crystal structures. Therefore, we conducted a topological study, using Hirshfeld surfaces and atom in molecules (AIM) analysis, to decompose and analyze, respectively, the different intermolecular interactions in six hydrazone-diacetyl platinum(II) complexes. Using AIM and natural bond orbital (NBO) analyses, we determined the type, nature, and strength of the interactions. All the studied complexes contain C-H⋯O interactions, and the presence of bond critical points along the intermolecular paths underlines their significance...
December 6, 2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/27929444/using-light-microscopy-and-liquid-chromatography-tandem-mass-spectrometry-for-qualitative-and-quantitative-control-of-a-combined-three-herb-formulation-in-different-preparations
#2
Tun-Pin Hsueh, Wan-Ling Lin, Tung-Hu Tsai
Artemisia capillaries Thunb, Gardenia jasminoides Ellis, and Rheum officinale Baill have been combined to treat jaundice for thousands of years. Studies have revealed that these herbs induce anti-hepatic fibrosis and anti-hepatic apoptosis and alleviate hepatic oxidative stress. This study aims to determine the quality and quantity of an herbal formulation (Chinese name: Yin-Chen-Hao-Tang) using physical and chemical examinations. Physical examination of Yin-Chen-Hao-Tang in pharmaceutical herbal products, raw fiber powders, and decoction preparations was performed using Congo red and iodine-potassium staining...
December 6, 2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/27929442/synthesis-and-antitumor-activity-of-5-bromo-7-azaindolin-2-one-derivatives-containing-a-2-4-dimethyl-1h-pyrrole-3-carboxamide-moiety
#3
Jun Zhang, Weiyi Shen, Xiaoning Li, Yun Chai, Senjun Li, Kai Lv, Huiyuan Guo, Mingliang Liu
We report herein the design and synthesis of a series of novel 5-bromo-7-azaindolin-2-one derivatives containing a 2,4-dimethyl-1H-pyrrole-3-carboxamide moiety. These newly synthesized derivatives were evaluated for in vitro activity against selected cancer cell lines by MTT assay. Results revealed that some compounds exhibit broad-spectrum antitumor potency, and the most active compound 23p (IC50: 2.357-3.012 μM) was found more potent than Sunitinib (IC50: 31.594-49.036 μM) against HepG2, A549 and Skov-3, respectively...
December 6, 2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/27929438/erratum-pferschy-wenzig-e-m-et-al-does-a-graphical-abstract-bring-more-visibility-to-your-paper-molecules-2016-21-1247
#4
Eva-Maria Pferschy-Wenzig, Ulrich Pferschy, Dongdong Wang, Andrei Mocan, Atanas G Atanasov
The authors wish to make the following change to their paper [1].[...].
December 6, 2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/27929437/the-traditional-chinese-medicine-dangguibuxue-tang-sensitizes-colorectal-cancer-cells-to-chemoradiotherapy
#5
Shun-Ting Chen, Tzung-Yan Lee, Tung-Hu Tsai, Yin-Cheng Lin, Chin-Ping Lin, Hui-Ru Shieh, Ming-Ling Hsu, Chih-Wen Chi, Ming-Cheng Lee, Hen-Hong Chang, Yu-Jen Chen
Chemotherapy is an important treatment modality for colon cancer, and concurrent chemoradiation therapy (CCRT) is the preferred treatment route for patients with stage II and III rectal cancer. We examined whether DangguiBuxue Tang (DBT), a traditional Chinese herbal extract, sensitizes colorectal cancer cells to anticancer treatments. The polysaccharide-depleted fraction of DBT (DBT-PD) contains greater amounts of astragaloside IV (312.626 µg/g) and ferulic acid (1.404 µg/g) than does the original formula...
December 6, 2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/27929435/design-of-heterogeneous-hoveyda-grubbs-second-generation-catalyst-lipase-conjugates
#6
Anthony Neville, Javier Iniesta, Jose M Palomo
Heterogeneous catalysts have been synthesi zed by the conjugation of Hoveyda-Grubbs second-generation catalyst with a lipase. The catalytic properties of the organometallic compound in solution were firstly optimized, evaluating the activity of Ru in the ring-closing metathesis of diethyldiallymalonate at 25 °C at different solvents and in the presence of different additives. The best result was found using tetrahydrofuran as a solvent. Some additives such as phenylboronic acid or polyetheneglycol slightly improved the activity of the Ru catalyst whereas others, such as pyridine or dipeptides affected it negatively...
December 6, 2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/27929402/extraction-and-quantification-of-bioactive-tyrian-purple-precursors-a-comparative-and-validation-study-from-the-hypobranchial-gland-of-a-muricid-dicathais-orbita
#7
Roselyn Valles-Regino, Peter Mouatt, David Rudd, Lachlan H Yee, Kirsten Benkendorff
Muricidae are marine molluscs known for the production of Tyrian purple and bioactive precursor compounds. A validation study for the extraction and analysis of secondary metabolites found in the hypobranchial gland of the muricid Dicathais orbita is reported, using high performance liquid chromatography-mass spectrometry (HPLC-MS) with diode array detector (DAD). Quantification of the dominant secondary metabolites from D. orbita is described, followed by a comparison of solvent extraction procedures and stability studies...
December 5, 2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/27918492/xanthines-studied-via-femtosecond-fluorescence-spectroscopy
#8
Pascale Changenet-Barret, Lajos Kovács, Dimitra Markovitsi, Thomas Gustavsson
Xanthines represent a wide class of compounds closely related to the DNA bases adenine and guanine. Ubiquitous in the human body, they are capable of replacing natural bases in double helices and give rise to four-stranded structures. Although the use of their fluorescence for analytical purposes was proposed, their fluorescence properties have not been properly characterized so far. The present paper reports the first fluorescence study of xanthine solutions relying on femtosecond spectroscopy. Initially, we focus on 3-methylxanthine, showing that this compound exhibits non-exponential fluorescence decays with no significant dependence on the emission wavelength...
December 3, 2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/27918491/clarification-of-the-antagonistic-effect-of-the-lipopeptides-produced-by-bacillus-amyloliquefaciens-bpd1-against-pyricularia-oryzae-via-in-situ-maldi-tof-ims-analysis
#9
Jen-Hung Liao, Pi-Yu Chen, Yu-Liang Yang, Shu-Chen Kan, Feng-Chia Hsieh, Yung-Chang Liu
This study tried to clarify the antagonistic effect of the lipopeptides secreted by Bacillus amyloliquefaciens strain BPD1 (Ba-BPD1) against Pyricularia oryzae Cavara (PO). To determine the major antifungal lipopeptides effective against PO, single and dual cultures were carried out in solid-state media. The matrix-assisted laser desorption/ionization-time of flight imaging mass spectrometry (MALDI-TOF IMS) was used to identify the most effective lipopeptide in situ. Meanwhile, the morphology of pathogen fungi treated with lipopeptides was observed via the SEM...
December 3, 2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/27918490/activity-of-eribulin-in-a-primary-culture-of-well-differentiated-dedifferentiated-adipocytic-sarcoma
#10
Alessandro De Vita, Giacomo Miserocchi, Federica Recine, Laura Mercatali, Federica Pieri, Laura Medri, Alberto Bongiovanni, Davide Cavaliere, Chiara Liverani, Chiara Spadazzi, Dino Amadori, Toni Ibrahim
Eribulin mesylate is a novel, non-taxane, synthetic microtubule inhibitor showing antitumor activity in a wide range of tumors including soft tissue sarcomas (STS). Eribulin has been recently approved for the treatment of metastatic liposarcoma (LPS) patients previously treated with anthracyclines. This work investigated the mechanism of action of this innovative antitubulin agent in well-differentiated/dedifferentiated LPS (ALT/DDLPS) which represents one of the most common adipocytic sarcoma histotypes. A primary culture of ALT/DDLPS from a 54-year-old patient was established...
December 3, 2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/27918489/assessment-of-the-potential-energy-hypersurfaces-in-thymine-within-multiconfigurational-theory-casscf-vs-caspt2
#11
Javier Segarra-Martí, Antonio Francés-Monerris, Daniel Roca-Sanjuán, Manuela Merchán
The present study provides new insights into the topography of the potential energy hypersurfaces (PEHs) of the thymine nucleobase in order to rationalize its main ultrafast photochemical decay paths by employing two methodologies based on the complete active space self-consistent field (CASSCF) and the complete active space second-order perturbation theory (CASPT2) methods: (i) CASSCF optimized structures and energies corrected with the CASPT2 method at the CASSCF geometries and (ii) CASPT2 optimized geometries and energies...
December 3, 2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/27918477/identification-and-characterisation-of-the-antimicrobial-peptide-phylloseptin-pt-from-the-skin-secretion-of-phyllomedusa-tarsius-and-comparison-of-activity-with-designed-cationicity-enhanced-analogues-and-diastereomers
#12
Yitian Gao, Di Wu, Xinping Xi, Yue Wu, Chengbang Ma, Mei Zhou, Lei Wang, Mu Yang, Tianbao Chen, Chris Shaw
Antimicrobial peptides belonging to the phylloseptin family are mainly found in phyllomedusine frogs. These peptides not only possess potent antimicrobial activity but exhibit low toxicity against eukaryotic cells. Therefore, they are considered as promising drug candidates for a number of diseases. In a recent study, potent antimicrobial activity was correlated with the conserved structures and cationic amphiphilic characteristics of members of this peptide family. A phylloseptin peptide precursor was discovered here in the skin secretion of Phyllomedusa tarsius and the mature peptide was validated by MS/MS sequencing, and was subsequently named phylloseptin-PT...
December 3, 2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/27918473/motion-of-adsorbed-nano-particles-on-azobenzene-containing-polymer-films
#13
REVIEW
Sarah Loebner, Joachim Jelken, Nataraja Sekhar Yadavalli, Elena Sava, Nicolae Hurduc, Svetlana Santer
We demonstrate in situ recorded motion of nano-objects adsorbed on a photosensitive polymer film. The motion is induced by a mass transport of the underlying photoresponsive polymer material occurring during irradiation with interference pattern. The polymer film contains azobenzene molecules that undergo reversible photoisomerization reaction from trans- to cis-conformation. Through a multi-scale chain of physico-chemical processes, this finally results in the macro-deformations of the film due to the changing elastic properties of polymer...
December 3, 2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/27918459/synthesis-antiphospholipase-a%C3%A2-antiprotease-antibacterial-evaluation-and-molecular-docking-analysis-of-certain-novel-hydrazones
#14
Nahed N E El-Sayed, Ahmed M Alafeefy, Mohammed A Bakht, Vijay H Masand, Ali Aldalbahi, Nan Chen, Chunhai Fan, Abir Ben Bacha
Some novel hydrazone derivatives 6a-o were synthesized from the key intermediate 4-Chloro-N-(2-hydrazinocarbonyl-phenyl)-benzamide 5 and characterized using IR, ¹H-NMR, (13)C-NMR, mass spectroscopy and elemental analysis. The inhibitory potential against two secretory phospholipase A₂ (sPLA₂), three protease enzymes and eleven bacterial strains were evaluated. The results revealed that all compounds showed preferential inhibition towards hGIIA isoform of sPLA₂ rather than DrG-IB with compounds 6l and 6e being the most active...
December 2, 2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/27918453/carbon-nanodots-as-peroxidase-nanozymes-for-biosensing
#15
REVIEW
Bhaskar Garg, Tanuja Bisht
'Nanozymes', a term coined by Scrimin, Pasquato, and co-workers to describe nanomaterials with enzyme-like characteristics, represent an exciting and emerging research area in the field of artificial enzymes. Indubitably, the last decade has witnessed substantial advancements in the design of a variety of functional nanoscale materials, including metal oxides and carbon-based nanomaterials, which mimic the structures and functions of naturally occurring enzymes. Among these, carbon nanodots (C-dots) or carbon quantum dots (CQDs) offer huge potential due to their unique properties as compared to natural enzymes and/or classical artificial enzymes...
December 2, 2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/27918451/bioactivities-of-a-new-pyrrolidine-alkaloid-from-the-root-barks-of-orixa-japonica
#16
Xin Chao Liu, Daowan Lai, Qi Zhi Liu, Ligang Zhou, Qiyong Liu, Zhi Long Liu
A new pyrrolidine alkaloid named (Z)-3-(4-hydroxybenzylidene)-4-(4-hydroxyphenyl)-1-methylpyrrolidin-2-one was isolated from the ethanol extract of the root barks of Orixa japonica. The structure of the new alkaloid was elucidated on the basis of NMR and MS analysis. The compound exhibited larvicidal activity against the fourth instar larvae of Aedes aegypti (LC50 = 232.09 μg/mL), Anopheles sinensis (LC50 = 49.91 μg/mL), and Culex pipiens pallens (LC50 = 161.10 μg/mL). The new alkaloid also possessed nematicidal activity against Bursaphelenchus xylophilus (LC50 = 391...
December 2, 2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/27918450/janus-compounds-5-chloro-n%C3%A2-methyl-n%C3%A2-aryl-9h-pyrimido-4-5-b-indole-2-4-diamines-cause-both-microtubule-depolymerizing-and-stabilizing-effects
#17
Cristina C Rohena, April L Risinger, Ravi Kumar Vyas Devambatla, Nicholas F Dybdal-Hargreaves, Roma Kaul, Shruti Choudhary, Aleem Gangjee, Susan L Mooberry
While evaluating a large library of compounds designed to inhibit microtubule polymerization, we identified four compounds that have unique effects on microtubules. These compounds cause mixed effects reminiscent of both microtubule depolymerizers and stabilizers. Immunofluorescence evaluations showed that each compound initially caused microtubule depolymerization and, surprisingly, with higher concentrations, microtubule bundles were also observed. There were subtle differences in the propensity to cause these competing effects among the compounds with a continuum of stabilizing and destabilizing effects...
December 2, 2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/27918447/enhanced-antimicrobial-and-anticancer-activity-of-silver-and-gold-nanoparticles-synthesised-using-sargassum-incisifolium-aqueous-extracts
#18
Mokone Mmola, Marilize Le Roes-Hill, Kim Durrell, John J Bolton, Nicole Sibuyi, Mervin E Meyer, Denzil R Beukes, Edith Antunes
A detailed, methodical approach was used to synthesise silver and gold nanoparticles using two differently prepared aqueous extracts of the brown algae Sargassum incisifolium. The efficiency of the extracts in producing nanoparticles were compared to commercially available brown algal fucoidans, a major constituent of brown algal aqueous extracts. The nanoparticles were characterised using TEM, XRD and UV/Vis spectroscopy and zeta potential measurements. The rate of nanoparticle formation was assessed using UV/Vis spectroscopy and related to the size, shape and morphology of the nanoparticles as revealed by TEM...
December 2, 2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/27918445/docetaxel-loaded-self-assembly-stearic-acid-modified-bletilla-striata-polysaccharide-micelles-and-their-anticancer-effect-preparation-characterization-cellular-uptake-and-in-vitro-evaluation
#19
Qingxiang Guan, Dandan Sun, Guangyuan Zhang, Cheng Sun, Miao Wang, Danyang Ji, Wei Yang
Poorly soluble drugs have low bioavailability after oral administration, thereby hindering effective drug delivery. A novel drug-delivery system of docetaxel (DTX)-based stearic acid (SA)-modified Bletilla striata polysaccharides (BSPs) copolymers was successfully developed. Particle size, zeta potential, encapsulation efficiency (EE), and loading capacity (LC) were determined. The DTX release percentage in vitro was determined using high performance liquid chromatography (HPLC). The hemolysis and in vitro anticancer activity were studied...
December 2, 2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/27918442/some-brief-notes-on-theoretical-and-experimental-investigations-of-intramolecular-hydrogen-bonding
#20
REVIEW
Lucjan Sobczyk, Dorota Chudoba, Peter M Tolstoy, Aleksander Filarowski
A review of selected literature data related to intramolecular hydrogen bonding in ortho-hydroxyaryl Schiff bases, ortho-hydroxyaryl ketones, ortho-hydroxyaryl amides, proton sponges and ortho-hydroxyaryl Mannich bases is presented. The paper reports on the application of experimental spectroscopic measurements (IR and NMR) and quantum-mechanical calculations for investigations of the proton transfer processes, the potential energy curves, tautomeric equilibrium, aromaticity etc. Finally, the equilibrium between the intra- and inter-molecular hydrogen bonds in amides is discussed...
December 2, 2016: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
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