4,326,107 results match your criteria Chemistry Weinheim an der Bergstrasse Germany[Journal]


The influence of stereoelectronic effects on the J spin-spin coupling constant in fluorinated heterocyclic compounds.

Magn Reson Chem 2019 Feb 18. Epub 2019 Feb 18.

Department of Chemistry, Federal University of Lavras, P.O. Box 3037, 37200-000, Lavras, MG, Brazil.

The Perlin effect and its analog for fluorinated compounds (the fluorine Perlin-like effect) manifest on one-bond C-H (C-F for the fluorine Perlin-like effect) spin-spin coupling constants (SSCC´s) in six-membered rings. These effects can be useful to probe the stereochemistry (axial or equatorial) of the C-H and C-F bonds, respectively. The origin of these effects has been debatable in the literature as being due to hyperconjugative interactions, dipolar effects and induced current density. Read More

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http://dx.doi.org/10.1002/mrc.4854DOI Listing
February 2019

Skeletal age-at-death estimation: Bayesian versus regression methods.

Forensic Sci Int 2019 Feb 5;297:56-64. Epub 2019 Feb 5.

Department of Chemistry, Aristotle University of Thessaloniki, University Campus, 54124 Thessaloniki, Greece. Electronic address:

Age-at-death estimation in a skeletal assemblage (target sample) is biased by the demographic profile of the material used for age prediction (training sample) when this profile is different from that of the target sample. This bias is minimized if the demographic profile of the target sample is properly taken into account in the method developed for age-at-death estimation. In the Bayesian approach this is accomplished via the informative prior. Read More

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http://dx.doi.org/10.1016/j.forsciint.2019.01.033DOI Listing
February 2019

Fate of a perfluoroalkyl acid mixture in an agricultural soil studied in lysimeters.

Chemosphere 2019 Feb 5;223:180-187. Epub 2019 Feb 5.

Universiteit van Amsterdam, Institute for Biodiversity and Ecosystem Dynamics, Science Park 904, 1098XH Amsterdam, the Netherlands; KWR Watercycle Research Institute, Nieuwegein, the Netherlands.

Perfluoroalkyl acids (PFAAs) are environmental contaminants of concern in both food and drinking water. PFAA fate in agricultural soil is an important determinant of PFAA contamination of groundwater and crops. The fate of C4-C14 perfluorinated carboxylic acids (PFCAs) and two perfluorinated sulfonic acids (PFSAs) in an agricultural soil was studied in a field lysimeter experiment. Read More

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http://dx.doi.org/10.1016/j.chemosphere.2019.02.012DOI Listing
February 2019

Modeling MesoBioNano systems with MBN Studio made easy.

J Mol Graph Model 2019 Feb 7;88:247-260. Epub 2019 Feb 7.

MBN Research Center, Altenhöferallee 3, 60438, Frankfurt am Main, Germany. Electronic address:

This paper introduces MesoBioNano (MBN) Studio - a graphical user interface for a popular multiscale simulation package MBN Explorer. MBN Studio has been developed to facilitate setting up and starting MBN Explorer calculations, monitoring their progress and examining the calculation results. It is tailored for any calculations that are supported by MBN Explorer, such as for example the single-point energy calculations, structure optimization, molecular dynamics, and kinetic Monte Carlo simulations. Read More

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http://dx.doi.org/10.1016/j.jmgm.2019.02.003DOI Listing
February 2019

Structural investigation of α-l-fucosidase from the pancreas of Patiria pectinifera, based on molecular cloning.

Carbohydr Res 2019 Feb 7;475:27-33. Epub 2019 Feb 7.

Department of Applied Chemistry and Biochemistry, National Institute of Technology, Fukushima College, 30 Nagao, Iwaki, Fukushima, 970-8034, Japan. Electronic address:

An α-l-fucosidase (Pap-Alf) was purified from the pancreas of a starfish Patiria pectinifera by ammonium sulfate precipitation followed by several column chromatographies. The molecular mass of the purified enzyme was estimated to be 52.6 kDa by SDS-PAGE, although gel filtration analysis of the native enzyme suggests it exists as a homodimer in solution. Read More

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http://dx.doi.org/10.1016/j.carres.2019.02.001DOI Listing
February 2019

Relationship between perfluorooctanoate and perfluorooctane sulfonate blood concentrations in the general population and routine drinking water exposure.

Environ Int 2019 Feb 15;126:54-60. Epub 2019 Feb 15.

MOE Laboratory for Earth Surface Process, College of Urban and Environmental Sciences, Peking University, Beijing 100871, China. Electronic address:

In regions with heavily contaminated drinking water, a significant contribution of drinking water to overall human perfluorooctane sulfonate (PFOS) and perfluorooctanoate (PFOA) exposure has been well documented. However, the relationship of PFOA/PFOS blood concentrations in the general population to routine drinking water exposure is not well characterized. This study determined the PFOA and PFOS concentrations in 166 drinking water samples across 28 cities in China. Read More

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https://linkinghub.elsevier.com/retrieve/pii/S01604120183173
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http://dx.doi.org/10.1016/j.envint.2019.02.009DOI Listing
February 2019
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DNA methylation profiling implicates exposure to PCBs in the pathogenesis of B-cell chronic lymphocytic leukemia.

Environ Int 2019 Feb 15;126:24-36. Epub 2019 Feb 15.

National Hellenic Research Foundation, Institute of Biology, Medicinal Chemistry and Biotechnology, 48 Vas. Constantinou Ave., Athens 11635, Greece. Electronic address:

Objectives: To characterize the impact of PCB exposure on DNA methylation in peripheral blood leucocytes and to evaluate the corresponding changes in relation to possible health effects, with a focus on B-cell lymphoma.

Methods: We conducted an epigenome-wide association study on 611 adults free of diagnosed disease, living in Italy and Sweden, in whom we also measured plasma concentrations of 6 PCB congeners, DDE and hexachlorobenzene.

Results: We identified 650 CpG sites whose methylation correlates strongly (FDR < 0. Read More

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http://dx.doi.org/10.1016/j.envint.2019.01.068DOI Listing
February 2019

Graphene oxide as selective transporter of flavonols for physiological target DNA: A two-color fluorescence approach.

Spectrochim Acta A Mol Biomol Spectrosc 2019 Feb 12;214:192-198. Epub 2019 Feb 12.

Department of Chemistry, Tougaloo College, 500 West County Line Road, Tougaloo, MS 39174, USA.

Our study determines the selectivity of graphene oxide (GO) to recognize its ligands (e.g. flavonoids) in facilitating the binding with their respective cellular targets. Read More

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http://dx.doi.org/10.1016/j.saa.2019.02.029DOI Listing
February 2019

Ozone initiated heterogeneous oxidation of unsaturated carboxylic acids by ATR-FTIR spectroscopy.

Spectrochim Acta A Mol Biomol Spectrosc 2019 Feb 12;214:177-183. Epub 2019 Feb 12.

Department of Chemistry, University of Colorado Denver, Denver, CO, 80217, USA. Electronic address:

Despite considerable effort has been directed to ozone-initiated heterogeneous oxidation of unsaturated organic species in atmospheric environment, current knowledge about how chemical structure of unsaturated carboxylic acids affects their reaction kinetics remains very limited. Here, kinetics of heterogeneous reaction of ozone with six unsaturated fatty acids (oleic acid, vaccenic acid, eladic acid, myristoleic acid, palmitoleic acid and 2-hexadecenoic acid) were studied via a flow system combined with attenuated total reflection Fourier-transformed infrared spectroscopy (ATR-FTIR). Pseudo-first-order rate constants (k) and overall reactive uptake coefficients (γ) values were derived according to the changes in absorbance from infrared spectra. Read More

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http://dx.doi.org/10.1016/j.saa.2019.02.025DOI Listing
February 2019

Coumarin based hydrazone as an ICT-based fluorescence chemosensor for the detection of Cu ions and the application in HeLa cells.

Spectrochim Acta A Mol Biomol Spectrosc 2019 Feb 11;214:170-176. Epub 2019 Feb 11.

Department of Chemistry, Bharathiar University, Tamil Nadu, India.

We have constructed a new coumarin based fluorescence probe BENZPYR with ICT character through condensation of N, N-diethylamino-3-acetyl coumarin with 2-hydrazinobenzothiazole. The absorbance and fluorescence spectral characteristics of BENZPYR revealed that the chemosensor can specifically detect for Cu ions over other different metal ions and the lowest limit of detection was found in nano molar range. The turn off sensor of BENZPYR is related to chelation enhanced quenching (CHEQ) and intramolecular charge transfer (ICT) processes were serve as excellent fluorescent detection of Cu ions in DMF medium. Read More

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http://dx.doi.org/10.1016/j.saa.2019.02.020DOI Listing
February 2019

Maslinic acid conjugate with 7-amino-4-methylcoumarin as probe to monitor the temperature dependent conformational changes of human serum albumin by FRET.

Spectrochim Acta A Mol Biomol Spectrosc 2019 Feb 11;214:161-169. Epub 2019 Feb 11.

Department of Organic Chemistry, University of Granada, 18071 Granada, Spain.

Synthesis, characterization and spectroscopic investigation of maslinic acid labeled with fluorescent 7-amino-4-methylcoumarin is reported. It was found that the coumarin-maslinic derivative (MaCo) forms an excellent fluorescence resonance energy transfer (FRET) pair with the tryptophan (Trp) residue of human serum albumin (HSA). This feature allowed for monitoring HSA conformational alterations by measuring the distance between donor (Trp) and acceptor (MaCo) through Förster energy transfer mechanism. Read More

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http://dx.doi.org/10.1016/j.saa.2019.02.014DOI Listing
February 2019

Halogen substituent effect on the water-assisted excited-state tautomerization of 2, 7-diazaindole-HO complex in aqueous solution: A theoretical study.

Authors:
Hua Fang

Spectrochim Acta A Mol Biomol Spectrosc 2019 Feb 11;214:152-160. Epub 2019 Feb 11.

Department of Chemistry and Material Science, College of Science, Nanjing Forestry University, Nanjing 210037, People's Republic of China. Electronic address:

We studied the ESPT process in the 2-DAI-HO complex theoretically for the first time, and compared the kinetics of 2-DAI-HO with those features of 7-DAI-HO. The substituted effect on the dynamics of excited-state double proton transfer in 2-DAI-HO and 7-DAI-HO clusters in water were also investigated at the TD-M06-2X/6-311+G(d, p) level. In this work, 2,7-DAI-HO is also expressed as 2-DAI-HO and 7-DAI-HO, in which correspond to different ESPT reactions and generate two tautomers (NH form and NH form). Read More

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http://dx.doi.org/10.1016/j.saa.2019.02.016DOI Listing
February 2019

Microgels in biomaterials and nanomedicines.

Adv Colloid Interface Sci 2019 Feb 8;266:1-20. Epub 2019 Feb 8.

Key Laboratory of Colloid and Interface Chemistry & Key Laboratory of Special Aggregated Materials (Shandong University), Ministry of Education, Jinan 250100, PR China. Electronic address:

Microgels are colloidal particles with crosslinked polymer networks and dimensions ranging from tens of nanometers to micrometers. Specifically, smart microgels are fascinating capable of responding to biological signals in vivo or remote triggers and making the possible for applications in biomaterials and biomedicines. Therefore, how to fundamentally design microgels is an urgent problem to be solved. Read More

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http://dx.doi.org/10.1016/j.cis.2019.01.005DOI Listing
February 2019

Revealing quinquennial anticancer journey of morpholine: A SAR based review.

Eur J Med Chem 2019 Feb 8;167:324-356. Epub 2019 Feb 8.

Drug Design & Medicinal Chemistry Lab, Department of Pharmaceutical Chemistry, School of Pharmaceutical Education and Research, Jamia Hamdard, New Delhi, 110062, India. Electronic address:

Morpholine, a six-membered heterocycle containing one nitrogen and one oxygen atom, is a moiety of great significance. It forms an important intermediate in many industrial and organic syntheses. Morpholine containing drugs are of high therapeutic value. Read More

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http://dx.doi.org/10.1016/j.ejmech.2019.02.015DOI Listing
February 2019

Another look at phenolic compounds in cancer therapy the effect of polyphenols on ubiquitin-proteasome system.

Eur J Med Chem 2019 Jan 30;167:291-311. Epub 2019 Jan 30.

Department of Food Analysis, Institute of Agricultural and Food Biotechnology, Rakowiecka 36, 02-532, Warsaw, Poland. Electronic address:

Inhibitors of the ubiquitin-proteasome system (UPS) have been the object of research interests for many years because of their potential as anti-cancer agents. Research in this field is aimed at improving the specificity and safety of known proteasome inhibitors. Unfortunately, in vitro conditions do not reflect the processes taking place in the human body. Read More

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http://dx.doi.org/10.1016/j.ejmech.2019.01.044DOI Listing
January 2019

Design, synthesis and biological evaluation of (E)-5-styryl-1,2,4-oxadiazoles as anti-tubercular agents.

Bioorg Chem 2019 Feb 7;86:507-512. Epub 2019 Feb 7.

Chemistry of Heterocycles & Natural Product Research Laboratory, Department of Chemistry, School of Advanced Sciences, Vellore Institute of Technology, Vellore 632014, Tamil Nadu, India. Electronic address:

Cinnamic acid and its derivatives are known for anti-tubercular activity. The present study reports the synthesis of cinnamic acid derivatives via bioisosteric replacement of terminal carboxylic acid with "oxadiazole". A series of cinnamic acid derivatives (styryl oxadiazoles) were designed and synthesized in good yields by reaction of substituted cinnamic acids (2, 15a-15s) with amidoximes. Read More

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http://dx.doi.org/10.1016/j.bioorg.2019.01.054DOI Listing
February 2019

Thermophilic anaerobic digestion of model organic wastes: Evaluation of biomethane production and multiple kinetic models analysis.

Bioresour Technol 2019 Feb 7;280:269-276. Epub 2019 Feb 7.

Department of Environmental Energy Engineering, Kyonggi University, Republic of Korea. Electronic address:

The main aim of this work was to test various organic wastes, i.e. from a livestock farm, a cattle slaughterhouse and agricultural waste streams, for its ability to produce methane under thermophilic anaerobic digestion (AD) conditions. Read More

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http://dx.doi.org/10.1016/j.biortech.2019.02.033DOI Listing
February 2019

Butterfly cluster like lamellar BiOBr/TiO nanocomposite for enhanced sunlight photocatalytic mineralization of aqueous ciprofloxacin.

Sci Total Environ 2019 Feb 11;665:668-677. Epub 2019 Feb 11.

Department of Environmental Sciences, Faculty of Meteorology, Environment and Arid Land Agriculture, King Abdulaziz University, Jeddah 21589, Saudi Arabia; Central Metallurgical R&D Institute, Helwan 11421, Cairo, Egypt.

The present study for the first time reports facile in-situ room temperature synthesis of butterfly cluster like lamellar BiOBr deposited over TiO nanoparticles for photocatalytic breakdown of ciprofloxacin (CIP). The butterfly cluster arrangement of BiOBr resulted in an increase in surface area from 124.6 to 160. Read More

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http://dx.doi.org/10.1016/j.scitotenv.2019.02.145DOI Listing
February 2019

Incidence and antimicrobial susceptibility fingerprints of Plesiomonas shigelliodes isolates in water samples collected from some freshwater resources in Southwest Nigeria.

Sci Total Environ 2019 Feb 5;665:632-640. Epub 2019 Feb 5.

South Africa Medical Research Council, Water Monitoring Centre, University of Fort Hare, South Africa; Applied and Environmental Microbiology Research Group (AEMREG), Department of Biochemistry and Microbiology, University of Fort Hare, South Africa.

Plesiomonas shigelloides, is an emerging and significant enteric pathogen in water having implication in both localised and gastrointestinal infections with characteristic of displaying high resistance against commonly used antibiotics. This study evaluated the prevalence of Plesiomonas shigelloides and their antibiogram fingerprints in water sample collected from four rivers in South-western Nigeria. In all, 148 presumptive Plesiomonas shigelloides isolates was recovered from the rivers out of which 66 (44. Read More

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http://dx.doi.org/10.1016/j.scitotenv.2019.02.062DOI Listing
February 2019

Discussion: Illegal kills of protected wolves call for public reasoning.

Sci Total Environ 2019 Feb 12;665:617-619. Epub 2019 Feb 12.

Aarhus University, Department of Bioscience, Grenåvej 14, DK-8410 Rønde, Denmark. Electronic address:

Illegal wolf kills happens around in Europe despite the European wolf is protected under the EU Habitats Directive. The reason for this is conflicts with farmers and local hunters and in some instances also direct fear. In April 2018, a wolf was killed in Denmark after 1st recolonization since the 18th century. Read More

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http://dx.doi.org/10.1016/j.scitotenv.2019.01.432DOI Listing
February 2019

Addition-omission of zinc, copper, and boron nano and bulk oxide particles demonstrate element and size -specific response of soybean to micronutrients exposure.

Sci Total Environ 2019 Feb 11;665:606-616. Epub 2019 Feb 11.

The Connecticut Agricultural Experiment Station, 123 Huntington Street, New Haven, CT 06511, United States.

Plant response to microelements exposure can be modulated based on particle size. However, studies are lacking on the roles of particle size and specific microelements in mixed exposure systems designed for plant nutrition, rather than toxicology. Here, an addition-omission strategy was used to address particle-size and element-specific effects in soybean exposed to a mixture of nano and bulk scale oxide particles of Zn (2 mg Zn/kg), Cu (1 mg Cu/kg) and B (1 mg B/kg) in soil. Read More

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http://dx.doi.org/10.1016/j.scitotenv.2019.02.142DOI Listing
February 2019

Rapid degradation of clozapine by heterogeneous photocatalysis. Comparison with direct photolysis, kinetics, identification of transformation products and scavenger study.

Sci Total Environ 2019 Feb 10;665:557-567. Epub 2019 Feb 10.

Department of Medicinal Chemistry, Faculty of Pharmacy, Medical University of Lublin, Jaczewskiego 4, 20-090 Lublin, Poland. Electronic address:

In this study TiO-mediated photocatalytic degradation of the persistent drug clozapine under the simulated solar radiation was studied for the first time. The experiments were conducted both in the ultrapure and river water, which enabled the assessment of the organic matrix impact. The direct and indirect photolysis experiments were conducted for a comparison. Read More

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http://dx.doi.org/10.1016/j.scitotenv.2019.02.124DOI Listing
February 2019

Systematic evaluation of a dynamic sewer process model for prediction of odor formation and mitigation in large-scale pressurized sewers in Hong Kong.

Water Res 2019 Feb 1;154:94-103. Epub 2019 Feb 1.

Guangdong Provincial Engineering Technology Research Center for Wastewater Management and Treatment, MOE Laboratory of Theoretical Chemistry of Environment, School of Chemistry & Environment, South China Normal University, Guangzhou, China. Electronic address:

To evaluate and mitigate odor formation and emission in sewers, several sewer models have been developed. Although these models can predict the immediate effects of chemical dosing on odor emission control, the long-term effects due to the variation of biofilm dynamics were generally underestimated. Therefore, in this study, we developed a dynamic model to simulate sewer processes initiated by sewer. Read More

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http://dx.doi.org/10.1016/j.watres.2019.01.033DOI Listing
February 2019

Rapid discrimination of fungal strains isolated from human skin based on microbial volatile organic profiles.

J Chromatogr B Analyt Technol Biomed Life Sci 2019 Feb 10;1110-1111:9-14. Epub 2019 Feb 10.

Department of Chemistry, State University of Maringá (UEM), Ave. Colombo 5790, Maringá, PR 87020-900, Brazil; Program of Master in Science, Technology and Food Safety, Cesumar Institute of Science, Technology and Innovation (ICETI), University Center of Maringá - (UNICESUMAR), Av. Guedner, 1610, Maringá, PR 87050-900, Brazil.

Studies of the microbiota of human skin have gained attention mainly because of its high complexity. Volatile metabolites that emerge from the microbiota play a significant role in fungus metabolism, acting on fungal development, defense, and protection against stress, communication, and pathogenicity. The present study evaluated volatile organic profiles, based on headspace-solid-phase microextraction-gas chromatography-mass spectrometry. Read More

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http://dx.doi.org/10.1016/j.jchromb.2019.02.007DOI Listing
February 2019

Application of ion chromatography with pulsed amperometric detection for the determination of trace cyanide in biological samples, including breast milk.

J Chromatogr B Analyt Technol Biomed Life Sci 2019 Feb 8;1110-1111:36-42. Epub 2019 Feb 8.

Department of Analytical Chemistry, Chemical Faculty, Gdansk University of Technology, Gdansk, Poland. Electronic address:

Cyanide (CN) is the biomarker of exposure to the components of tobacco smoke, although its presence in biological samples is also due to the consumption of products containing cyanogenic glycosides. In this work, we determine the concentration of the free cyanide in urine, saliva and breast milk matrices, using ion chromatography with pulsed amperometric detection (IC-PAD). IC-PAD is an emerging method, with only few documented applications in urine and saliva, and the presented determination in breast milk is its first published report for any method. Read More

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http://dx.doi.org/10.1016/j.jchromb.2019.02.008DOI Listing
February 2019

Palladium nanoparticles decorated on amine functionalized graphene nanosheets as excellent nanocatalyst for the hydrogenation of nitrophenols to aminophenol counterparts.

J Hazard Mater 2019 Feb 10;369:96-107. Epub 2019 Feb 10.

Department of Chemistry, Van Yüzüncü Yıl University, Van, 65080, Turkey.

We reported the improved catalytic property of Pd (0) nanoparticles decorated on amine-functionalized graphene nanosheets (Pd/GNS-NH) for the hydrogenation of nitrophenol derivatives in the presence of NaBH at moderate conditions. Pd/GNS-NH nanocatalyst was synthesized by the deposition-reduction method. Sundry techniques such as ICP-OES, P-XRD, XPS, TEM, HR-TEM and EDX have been applied to explain the structure and morphology of the Pd/GNS-NH nanocatalyst. Read More

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http://dx.doi.org/10.1016/j.jhazmat.2019.02.027DOI Listing
February 2019

Toxicity profiling of 24 l-phenylalanine derived ionic liquids based on pyridinium, imidazolium and cholinium cations and varying alkyl chains using rapid screening Vibrio fischeri bioassay.

Ecotoxicol Environ Saf 2019 Feb 14;172:556-565. Epub 2019 Feb 14.

Laboratory of Environmental Toxicology, National Institute of Chemical Physics and Biophysics, Tallinn 12618, Estonia; Estonian Academy of Sciences, Kohtu 6, Tallinn 10130, Estonia. Electronic address:

A library of 24 pyridinium-, imidazolium-, and cholinium-based ionic liquids (ILs) with varying alkyl chain from C to C was toxicologically profiled using naturally luminescent marine bacteria Vibrio fischeri. The toxicity (30-min EC) of studied ILs to Vibrio fischeri ranged from 7.82 µM (4. Read More

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http://dx.doi.org/10.1016/j.ecoenv.2018.12.076DOI Listing
February 2019

Impacts of S-metolachlor and terbuthylazine in fatty acid and carbohydrate composition of the benthic clam Scrobicularia plana.

Ecotoxicol Environ Saf 2019 Feb 15;173:293-304. Epub 2019 Feb 15.

MARE - Marine and Environmental Sciences Centre, Department of Life Sciences, Faculty of Sciences and Technology, University of Coimbra, 3004-517 Coimbra, Portugal; Department of Biology & CESAM, University of Aveiro, 3810-193 Aveiro, Portugal.

S-metolachlor (SMOC) and terbuthylazine (TBA) are herbicides that commonly appear as active ingredients (a.i.) in the composition of plant protection products. Read More

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http://dx.doi.org/10.1016/j.ecoenv.2019.02.034DOI Listing
February 2019

Click chemistry based multicomponent approach in the synthesis of spirochromenocarbazole tethered 1,2,3-triazoles as potential anticancer agents.

Bioorg Chem 2019 Feb 8;85:475-486. Epub 2019 Feb 8.

Combi - Chem. Bio-Resource Centre, CSIR National Chemical Laboratory, Pune 411 008, India. Electronic address:

A series of spirochromenocarbazole tethered 1,2,3-triazoles were synthesized via click chemistry based one-pot, five component reaction between N-propargyl isatins, malononitrile, 4-hydroxycarbazole, aralkyl halides and sodium azide using cellulose supported CuI nanoparticles (Cell-CuI NPs) as the heterogeneous catalyst. Antiproliferative activity of all the synthesized compounds was investigated against panel of cancer cell lines such as MCF-7, MDA-MB-231, HeLa, PANC-1, A-549, and THP-1. Many of the synthesized compounds exhibited good anti-proliferative activity against breast (MCF-7 and MDA-MB-231) and cervical (HeLa) cancer cells with IC values less than 10 μM. Read More

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http://dx.doi.org/10.1016/j.bioorg.2019.01.070DOI Listing
February 2019

Chiral resolution and neuroprotective activities of enantiomeric dihydrobenzofuran neolignans from the fruit of Crataegus pinnatifida.

Bioorg Chem 2019 Feb 8;85:469-474. Epub 2019 Feb 8.

School of Traditional Chinese Materia Medica, Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research & Development, Liaoning Province, Shenyang Pharmaceutical University, Shenyang 110016, People's Republic of China. Electronic address:

Three pairs of enantiomeric dihydrobenzofuran neolignans (1a/1b-3a/3b) including four new compounds (1a/1b and 2a/2b) were isolated from the fruit of Crataegus pinnatifida. Their structures including the absolute configurations were elucidated by extensive spectroscopic analyses and comparison between the experimental measurements of electronic circular dichroism (ECD) and the calculated ECD spectra. Additionally, all the enantiomeric neolignans were investigated for their neuroprotective activities against HO-induced cell injury in human neuroblastoma SH-SY5Y cells. Read More

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http://dx.doi.org/10.1016/j.bioorg.2019.02.018DOI Listing
February 2019

Novel lawsone-containing ruthenium(II) complexes: Synthesis, characterization and anticancer activity on 2D and 3D spheroid models of prostate cancer cells.

Bioorg Chem 2019 Feb 8;85:455-468. Epub 2019 Feb 8.

School of Pharmaceutical Sciences, São Paulo State University, Araraquara, São Paulo 14800-903, Brazil. Electronic address:

This study describes a series of newly synthesized phosphine/diimine ruthenium complexes containing the lawsone as bioligand with enhanced cytotoxicity against different cancer cells, and apoptosis induction in prostatic cancer cells DU-145. The complexes [Ru(law)(N-N)]PF where N-N is 2,2'-bipyridine (1) or 1,10-phenanthroline (2) and [Ru(law)(dppm)(N-N)]PF, where dppm means bis(diphenylphosphino)methane, N-N is 2,2'-bipyridine (3) or 1,10-phenanthroline (4), and law is lawsone, were synthesized and fully characterized by elemental analysis, molar conductivity, NMR, UV-vis, IR spectroscopies and cyclic voltammetry. The interaction of the complexes (1-4) with DNA was evaluated by circular dichroism, gel electrophoresis, and fluorescence, and the complexes presented interactions by the minor grooves DNA. Read More

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http://dx.doi.org/10.1016/j.bioorg.2019.02.010DOI Listing
February 2019

Adsorption mechanisms of hexavalent chromium from aqueous solutions on modified activated carbons.

J Environ Manage 2019 Feb 15;236:815-822. Epub 2019 Feb 15.

Universidad Autónoma de Nuevo León (UANL), Facultad de Ciencias Químicas, Av. Universidad S/N, Ciudad Universitaria, San Nicolás de los Garza, N. L., 66455, Mexico.

Functional groups of the activated carbon play the major role in metals removal from aqueous solutions and, for this reason, different treatments can be used to modify the adsorbent surface improving the adsorption capacity for a particular pollutant. In this research, oxidation with nitric acid, heating under an inert atmosphere, and ammonia treatment were applied to modify the activated carbon surface. The modified adsorbents were used for the removal of hexavalent chromium (Cr(VI)) from aqueous solutions at different concentrations (10-500 mg L), pH 6, and 25 °C. Read More

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http://dx.doi.org/10.1016/j.jenvman.2019.02.014DOI Listing
February 2019

Angiogenesis involvement by octacalcium phosphate-gelatin composite-driven bone regeneration in rat calvaria critical-sized defect.

Acta Biomater 2019 Feb 15. Epub 2019 Feb 15.

Division of Craniofacial Function Engineering, Tohoku University Graduate School of Dentistry, Sendai, Japan. Electronic address:

Effect of octacalcium phosphate/gelatin composite (OCP/Gel) on angiogenesis was studied by its implantation in rat calvaria critical-sized defect in relation to bone regeneration for 2 and 4 weeks. The implantation of OCP/Gel disks was analyzed by radiomorphometry using a radiopaque material perfusion (Microfil®) method and histomorphometry by hematoxylin and eosin (HE)-staining before and after the decalcification. Effect of the OCP dose in the range up to 4 mg per well on the capillary-like tube formation by human umbilical vein endothelial cells (HUVECs) was also examined in a transwell cell culture. Read More

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http://dx.doi.org/10.1016/j.actbio.2019.02.021DOI Listing
February 2019

Biosynthesis of silver nanoparticle using extract of Zea mays (corn flour) and investigation of its cytotoxicity effect and radical scavenging potential.

J Photochem Photobiol B 2019 Jan 17;193:1-7. Epub 2019 Jan 17.

Research Institute of Biotechnology & Medical Converged Science, Dongguk University-Seoul, Ilsandong-gu, Gyeonggi-do 10326, Republic of Korea. Electronic address:

Silver nanoparticles (AgNPs) possesses a number of exceptional pharmaceutical properties and applications as compared with other types of metallic nanoparticles. Currently, AgNPs was biosynthesized using an aqueous extract of Zea mays L. (corn flour) powder. Read More

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http://dx.doi.org/10.1016/j.jphotobiol.2019.01.008DOI Listing
January 2019

Fabrication of dual network self-healing alginate/guar gum hydrogels based on polydopamine-type microcapsules from mesoporous silica nanoparticles.

Int J Biol Macromol 2019 Feb 15. Epub 2019 Feb 15.

School of Chemistry and Materials Science, Ludong University, Key Laboratory of High Performance and Functional Polymer in the Universities of Shandong Province, Collaborative Innovation Center of Shandong Province for High Performance Fibers and Their Composites, Yantai, China.

In this manuscript, dual network self-healing alginate/guar gum hydrogels with polydopamine-type microcapsules from mesoporous silica nanoparticles were facilely prepared through one-pot method. Glutaraldehyde (GA) was used as a crosslinking agent to crosslink guar gum and sodium alginate, respectively. Metal-ligand interactions as reversible non-covalent bond make the dual network hydrogels have a high degree of self-healing ability, which FeCl·6HO was coordinated with sodium alginate and polydopamine on the surface of microcapsules, respectively. Read More

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http://dx.doi.org/10.1016/j.ijbiomac.2019.02.089DOI Listing
February 2019

Microparticles based on natural and synthetic polymers for cosmetic applications.

Int J Biol Macromol 2019 Feb 15. Epub 2019 Feb 15.

Nicolaus Copernicus University in Torun, Faculty of Chemistry, Gagarina 7, 87-100 Torun, Poland.

Most peeling products (exfoliators) available on the market, used in cosmetic and aesthetic dermatology applications, contain synthetic microbeads as abrasive agents. After being released into the natural environment, these non-biodegradable microparticles have an adverse impact on it, especially on aquatic ecosystems. Cosmetics consisting of solid plastic particles will be prohibited in the European Union from 2020. Read More

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http://dx.doi.org/10.1016/j.ijbiomac.2019.02.091DOI Listing
February 2019

Anti-inflammatory effects of Morchella esculenta polysaccharide and its derivatives in fine particulate matter-treated NR8383 cells.

Int J Biol Macromol 2019 Feb 15. Epub 2019 Feb 15.

School of Life Sciences, Anhui University, Hefei 230601, Anhui, PR China; Anhui Key Laboratory of Modern Biomanufacturing, Anhui University, Hefei 230601, Anhui, PR China. Electronic address:

Fine particulate matter (PM) exposure could cause many acute and chronic respiratory diseases. In this study the protective effects of polysaccharide from Morchella esculenta (FMP-1) and its derivatives against PM-induced inflammation were evaluated. By flow cytometry and ELISA analysis, sulfated polysaccharide SFMP-1 showed the best protective effect in reducing PM-induced cell death, cell apoptosis and production of tumor necrosis factor-alpha (TNF-α) and interleukin-1 beta (IL-1β), which was accompanied by a diminished level in reactive oxygen species (ROS) formation caused by PM in rat alveolar macrophage NR8383 cells. Read More

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http://dx.doi.org/10.1016/j.ijbiomac.2019.02.088DOI Listing
February 2019

Fabrication and characterization of collagen-heparin-polypyrrole composite conductive film for neural scaffold.

Int J Biol Macromol 2019 Feb 15. Epub 2019 Feb 15.

Key Laboratory of Carbohydrate Chemistry and Biotechnology, Ministry of Education, School of Pharmaceutical Sciences, Jiangnan University, Wuxi 214122, China. Electronic address:

In this work, a conductive film consisted of polypyrrole-heparin-collagen (PHC film) was fabricated as a potential neural scaffold. Heparin was initially modified with pyrrole, which was further polymerized with pyrrole monomer under the catalysis of ferric trichloride. Then collagen was added and crosslinked through amide bond, as well as physical interaction with pyrrole through hydrogen bond. Read More

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http://dx.doi.org/10.1016/j.ijbiomac.2019.02.087DOI Listing
February 2019

Synthesis and cytotoxicity of selenium nanoparticles stabilized by α-D-glucan from Castanea mollissima Blume.

Int J Biol Macromol 2019 Feb 15. Epub 2019 Feb 15.

College of Food Science and Engineering, Ocean University of China, Qingdao 266003, China.

A 1,6-α-D-glucan (CPA) with a high molecular weight of 2.0 × 10 kDa was isolated from the fruits of Castanea mollissima Blume. CPA showed good water solubility, low side effects on normal cells, and moderate cytotoxicity on cancer cells. Read More

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http://dx.doi.org/10.1016/j.ijbiomac.2019.02.085DOI Listing
February 2019

EsTrx-2, the mitochondrial thioredoxin from Antarctic microcrustacean (Euphausia superba): Cloning and functional characterization.

Comp Biochem Physiol B Biochem Mol Biol 2019 Feb 15. Epub 2019 Feb 15.

College of Marine Science and Biological Engineering, Qingdao University of Science & Technology, Shandong, Provincial Key Laboratory of Biochemical Engineering, Qingdao 266042, China.

Thioredoxin system plays an important role in antioxidative stress, thioredoxin 2 (Trx2) being one of the most important components in the thioredoxin system. The full-length cDNA sequence of thioredoxin 2 from Euphausia superba (EsTrx2) is 1276 bp and contain a 5' untranslated region (UTR) of 94 bp, a 3' UTR of 741 bp and an open reading frame (ORF) of 441 bp, encoding a putative protein of 146 amino acids. Multiple sequence alignments have indicated that EsTrx2 possesses a conserved (-Cys-Gly-Pro-Cys-) CGPC redox-active site. Read More

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http://dx.doi.org/10.1016/j.cbpb.2019.01.014DOI Listing
February 2019

Relative Binding Affinity Prediction of Charge-Changing Sequence Mutations with FEP in Protein-Protein Interfaces.

J Mol Biol 2019 Feb 15. Epub 2019 Feb 15.

Department of Chemistry, Columbia University, 3000 Broadway, MC 3178, New York, NY 10027, USA.

Building on the substantial progress that has been made in using free energy perturbation (FEP) methods to predict the relative binding affinities of small molecule ligands to proteins, we have previously shown that results of similar quality can be obtained in predicting the effect of mutations on the binding affinity of protein-protein complexes. However, these results were restricted to mutations which did not change the net charge of the side chains due to known difficulties with modeling perturbations involving a change in charge in FEP. Various methods have been proposed to address this problem. Read More

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http://dx.doi.org/10.1016/j.jmb.2019.02.003DOI Listing
February 2019

Octa-arginine boosts the penetration of elastin-like polypeptide nanoparticles in 3D cancer models.

Eur J Pharm Biopharm 2019 Feb 15. Epub 2019 Feb 15.

Department of Biochemistry, Radboud Institute for Molecular Life Sciences (RIMLS), Radboud University Medical Center, PO Box 9101, 6500 HB Nijmegen, The Netherlands. Electronic address:

Elastin-like polypeptide (ELP) nanoparticles are a versatile platform for targeted drug delivery. As for any type of nanocarrier system an important challenge remains the ability of deep (tumor) tissue penetration. In this study, ELP particles with controlled surface density of the cell-penetrating peptide (CPP) octa-arginine (R8) were created by temperature-induced co-assembly. Read More

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http://dx.doi.org/10.1016/j.ejpb.2019.02.010DOI Listing
February 2019

PFKFB3 promotes endotoxemia-induced myocardial dysfunction through inflammatory signaling and apoptotic induction.

Toxicol Appl Pharmacol 2019 Feb 15. Epub 2019 Feb 15.

Department of Pharmacology and Key Laboratory of Gastrointestinal Pharmacology of Chinese Materia Medica of the State Administration of Traditional Chinese Medicine, School of Pharmacy, Fourth Military Medical University, Xi'an, China. Electronic address:

Cardiac dysfunction is a vital complication during endotoxemia (ETM). Accumulating evidence suggests that enhanced glycolytic metabolism promotes inflammatory and myocardial diseases. In this study, we performed deep mRNA sequencing analysis on the hearts of control and lipopolysaccharide (LPS)-challenged mice (40 mg/kg, i. Read More

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http://dx.doi.org/10.1016/j.taap.2019.02.007DOI Listing
February 2019

Developability assessment of physicochemical properties and stability profiles of HIV-1 BG505 SOSIP.664 and BG505 SOSIP.v4.1-GT1.1 gp140 envelope glycoprotein trimers as candidate vaccine antigens.

J Pharm Sci 2019 Feb 15. Epub 2019 Feb 15.

International AIDS Vaccine Initiative, New York, NY 10004 USA. Electronic address:

The induction of broadly neutralizing antibodies (bNAb) is a major goal in the development of an effective vaccine against HIV-1. A soluble, trimeric, germline (gI) bNAb-targeting variant of the HIV-1 envelope glycoprotein (termed BG505 SOSIP.v4. Read More

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http://dx.doi.org/10.1016/j.xphs.2019.01.033DOI Listing
February 2019

Trace Analysis of Estrogens in Milk Samples by Molecularly Imprinted Solid Phase Extraction with Genistein as a Dummy Template Molecule and High-performance Liquid Chromatography-tandem Mass Spectrometry.

Steroids 2019 Feb 15. Epub 2019 Feb 15.

SCIEX, Shanghai,200335, China.

Dummy molecularly imprinted polymer microspheres (DMIPMS) towards estrogens were synthesized by Pickering emulsion polymerization employing genistein (GEN) as a dummy template molecule. The FTIR analysis indicated the successful preparation of the imprinted polymers, and the characterization results of scanning electron microscopy and nitrogen adsorption desorption measurement indicated that the obtained DMIPMS are in possess of regular spherical shapes, porous structures and narrow diameter distribution, a BET surface area of 402.74 mg, a total pore volume of 0. Read More

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http://dx.doi.org/10.1016/j.steroids.2019.02.010DOI Listing
February 2019

Novel antimicrobial agents' discovery among the steroid derivatives.

Steroids 2019 Feb 15. Epub 2019 Feb 15.

Mycological Laboratory, Department of Plant Physiology, Institute for Biological Research, Siniša Stanković, University of Belgrade, Bulevar Despota Stefana, Serbia.

Fourteen steroid compounds were in silico evaluated using computer program PASS as antimicrobial agents. The experimental studies evaluation revealed that all compounds have good antibacterial activity with MIC at range of 0.003-0. Read More

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http://dx.doi.org/10.1016/j.steroids.2019.02.012DOI Listing
February 2019
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Berberine promotes osteogenic differentiation of mesenchymal stem cells with therapeutic potential in periodontal regeneration.

Eur J Pharmacol 2019 Feb 15. Epub 2019 Feb 15.

Department of Periodontology, Nanjing Stomatological Hospital, Medical School of Nanjing University, 30 Zhongyang Road, Nanjing, Jiangsu 210008, China. Electronic address:

Periodontal disease is a bacterial infection-associated disease of the periodontal tissues characterized by the destruction of tooth-supporting structures, including alveolar bone. The ideal goal of periodontal therapy is the complete regeneration of alveolar bone in a healthy microenvironment free of infection. In this study, we found that berberine, a benzylisoquinoline plant alkaloid from Coptidis Rhizoma, strongly inhibited the growth of Porphyromonas gingivalis. Read More

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http://dx.doi.org/10.1016/j.ejphar.2019.02.026DOI Listing
February 2019

Relative quantification of plasma N-glycans in type II congenital disorder of glycosylation patients by mass spectrometry.

Clin Chim Acta 2019 Feb 15. Epub 2019 Feb 15.

Laboratório de Síntese e Análise de Biomoléculas - LSAB, Instituto de Química - IQ, Universidade de Brasília - UnB, Brasília, DF, Brazil. Electronic address:

Background: Type II Congenital Disorders of Glycosylation (CDG-II) are a group of diseases with challenging diagnostics characterized by defects in the processing of glycans in the Golgi apparatus. Mass Spectrometry (MS) has been a valuable tool in the definition of CDG-II subtypes. While some CDG-II subtypes are associated with specific N-glycan structures, others only produce changes in relative levels, reinforcing the demand for quantification methods. Read More

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http://dx.doi.org/10.1016/j.cca.2019.02.013DOI Listing
February 2019

Phase II metabolism of betulin by rat and human liver and individual UDP-glucuronosyltransferases and sulfotransferases.

Chem Biol Interact 2019 Feb 15. Epub 2019 Feb 15.

Alkali Soil Natural Environmental Science Center, Northeast Forestry University, Key Laboratory of Saline-alkali Vegetation Ecology Restoration in Oil Field, Ministry of Education, Harbin, 150040, China. Electronic address:

The natural product betulin is under investigation for several therapeutic indications, however little is known about its metabolism. In the present study, the glucuronidation and sulfation of betulin in human and rat liver microsomes and cytosol were tested. We further identified the main UDP-glucuronosyltransferases (UGTs) and sulfotransferases (SULTs) involved in these two metabolism pathways. Read More

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http://dx.doi.org/10.1016/j.cbi.2019.02.009DOI Listing
February 2019

Hydrogen-Bonded Polyrotaxane Cation Structure in Nickel Dithiolate Anion Radical Salts, Ferromagnetic and Semiconducting Behavior Associated with Structural Phase Transition.

Chemistry 2019 Feb 18. Epub 2019 Feb 18.

Hokkaido University, Research Institute for Electronic Science, N20W10, Kita-ku, 001-0020, Sapporo, JAPAN.

The pseudo-polyrotaxane structure of [(H-bpy+)(DB[24]crown-8)]∞ (H-bpy+ = monoprotonated 4,4-bipyridinium; DB[24]crown-8 = dibenzo[24]crown-8) was incorporated into anion radical salts, [Ni(dmit)2]- (dmit2- = 1,3-dithio-2-thione-4,5-dithiolate). (H-bpy+)(DB[24]crown-8)[Ni(dmit)2]- crystallized into two polymorphs: crystals 1 and 2. Crystal 1 had a lower density and looser packing structure. Read More

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http://dx.doi.org/10.1002/chem.201806230DOI Listing
February 2019
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