4,369,264 results match your criteria Chemistry Weinheim an der Bergstrasse Germany[Journal]


Biocatalytic Reversal of Advanced Glycation End Product Modification.

Chembiochem 2019 Apr 23. Epub 2019 Apr 23.

Yale, Chemistry and Microbial Pathogenesis, P.O. Box 27392, 06516-7392, West Haven, UNITED STATES.

Advanced glycation end products (AGEs) are a heterogeneous group of molecules that emerge from the condensation of sugars and proteins via the Maillard reaction. Despite a significant number of studies showing strong associations between AGEs and the pathologies of aging-related illnesses, it has been a challenge to establish AGEs as causal agents primarily due to the lack of tools in reversing AGE modifications at the molecular level. Here, we show that MnmC, an enzyme involved in a bacterial tRNA-modification pathway, is capable of reversing the AGEs carboxyethyl-lysine (CEL) and carboxymethyl-lysine (CML) back to their native lysine structure. Read More

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http://dx.doi.org/10.1002/cbic.201900158DOI Listing

Performance of revised STO(1M)-3G basis set for prediction of 5-fluorocytosine chemical shift.

Magn Reson Chem 2019 Apr 23. Epub 2019 Apr 23.

Faculty of Chemistry, University of Opole, 48, Oleska Street, 46-052, Opole, Poland.

Nuclear shieldings and chemical shifts of 5-fluorocytosine (5FC) were predicted in the gas phase and DMSO solution modeled by polarizable continuum model (PCM) using B3LYP density functional and revised STO(1M)-3G basis set. For comparison, seven arbitrary selected basis sets including STO-3G, medium-size Pople- and larger dedicated Jensen-type ones were applied. The former basis sets were significantly smaller but the calculated structural parameters, harmonic vibrational frequencies were very accurate and close to those, obtained with larger, polarization-consistent ones. Read More

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http://dx.doi.org/10.1002/mrc.4879DOI Listing

CLEASE: A versatile and user-friendly implementation of Cluster Expansion method.

J Phys Condens Matter 2019 Apr 23. Epub 2019 Apr 23.

Department of Energy Conversion and Storage, Danmarks Tekniske Universitet, Fysikvej, Building 309, Lyngby, 2800, DENMARK.

Materials exhibiting a substitutional disorder such as multicomponent alloys and mixed metal oxides/oxyfluorides are of great importance in many scientific and technological sectors. Disordered materials constitute an overwhelmingly large configurational space, which makes it practically impossible to be explored manually using first-principles calculations such as density functional theory (DFT) due to the high computational costs. Consequently, the use of methods such as cluster expansion (CE) is vital in enhancing our understanding of the disordered materials. Read More

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http://dx.doi.org/10.1088/1361-648X/ab1bbcDOI Listing

Direct-write crosslinking in vacuum-deposited small-molecule films using focussed ion and electron beams.

Nanotechnology 2019 Apr 23. Epub 2019 Apr 23.

School of Chemistry Physics and Mechanical Engineering and Institute for Future Environments, Queensland University of Technology Faculty of Science and Engineering, Brisbane, Queensland, AUSTRALIA.

Recent advances in helium ion microscopy (HIM) have enabled the use of fine-focused He+ beams to image and shape materials at the nanoscale. In addition to traditional ion milling, the beam can also be used to induce reactions, such as cross-linking, in films of organic molecules. Here, we compare the use of focused ion and electron beams to fabricate spatially-defined cross-linked features in nanometre-thick films of tetracene. Read More

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http://dx.doi.org/10.1088/1361-6528/ab1b86DOI Listing

Structure and Bonding in [Sb@In8Sb12]3- and [Sb@In8Sb12]5.

Angew Chem Int Ed Engl 2019 Apr 23. Epub 2019 Apr 23.

Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China, State Key Laboratory of Rare Earth Resource Utilization, 5625 Renmin street , 130022, Changchun, CHINA.

We report the characterization of the compound [K(2.2.2)-crypt]4[In8Sb13], which proves to contain a 1:1 mixture of [Sb@In8Sb12]3- and [Sb@In8Sb12]5-. Read More

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http://dx.doi.org/10.1002/anie.201904109DOI Listing

A general one-pot methodology for the preparation of mono and bimetallic nanoparticles supported on carbon nanotubes: application in the semi-hydrogenation of alkynes and acetylene.

Chemistry 2019 Apr 23. Epub 2019 Apr 23.

Universitat Rovira i Virgili Facultat de Quimica, Quimica, 43003, SPAIN.

A facile and straightforward methodology for the preparation of monometallic (copper and palladium) and bimetallic nanocatalysts (NiCu and PdCu) stabilized by a N-heterocyclic carbene ligand is presented. Both colloidal and supported nanoparticles (NPs) on carbon nanotubes (CNTs) were prepared via a one-pot synthesis with outstanding control on their size, morphology and composition. These catalysts were evaluated in the selective hydrogenation of alkynes and alkynols. Read More

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http://dx.doi.org/10.1002/chem.201901041DOI Listing

Efficient Syntheses of Traumatic Lactone and Rhizobialide.

Chemistry 2019 Apr 23. Epub 2019 Apr 23.

SIOC/Zhejiang University, SKLOMC, 345 Lingling Lu, 200032, Shanghai, CHINA.

Herein, we reported the total syntheses of traumatic lactone and rhizobialide via the strategy of utilizing allenoic acid to construct the lactone ring. The key starting materials, allenoic acids, could be prepared by the ATA (allenation of terminal alkynes) of a terminal alkyne with an aldehyde bearing a protected hydroxyl group followed by hydrolysis. Importantly, the asymmetric syntheses could be realized just by replacing racemic diphenylprinol with (R)- or (S)-diphenylprinol to deliver the optically active allenoate. Read More

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http://dx.doi.org/10.1002/chem.201901210DOI Listing

A C-terminal CXCL8 peptide based on chemokine-glycosaminoglycan interactions reduces neutrophil adhesion and migration during inflammation.

Immunology 2019 Apr 23. Epub 2019 Apr 23.

Applied Immunobiology and Transplantation Research Group, Institute of Cellular Medicine, Medical School, Newcastle University and Newcastle NIHR Biomedical Research Centre, UK.

Leukocyte recruitment is critical during many acute and chronic inflammatory diseases. Chemokines are key mediators of leukocyte recruitment during the inflammatory response, by signaling through specific chemokine G-protein coupled receptors (GPCRs). In addition, chemokines interact with cell surface glycosaminoglycans (GAGs) to generate a chemotactic gradient. Read More

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http://dx.doi.org/10.1111/imm.13063DOI Listing
April 2019
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Effects of the selective inhibition of proteasome caspase-like activity by CLi a derivative of nor-cerpegin in dystrophic mdx mice.

PLoS One 2019 23;14(4):e0215821. Epub 2019 Apr 23.

Sorbonne Université, Institut de Biologie Paris-Seine (IBPS), CNRS UMR 8256, Inserm ERL U1164, Biological Adaptation and Ageing, Paris, France.

Previous studies have shown that proteasome inhibition can have beneficial effects in dystrophic mouse models. In this study, we have investigated the effects of a new selective proteasome inhibitor, CLi, a strong caspase-like inhibitor of the 20S proteasome, on skeletal and cardiac muscle functions of mdx mice. In the first series of experiments, five-month-old male mdx mice (n = 34) were treated with 2 different doses (20 and 100 μg/kg) of CLi and in the second series of experiments, five-month-old female mdx (n = 19) and wild-type (n = 24) mice were treated with 20 μg/kg CLi and Velcade (1 mg/kg) for 1-month. Read More

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http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0215821PLOS
April 2019
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Immobilization of polyphosphoesters on poly(ether ether ketone) (PEEK) for facilitating mineral coating.

J Biomater Sci Polym Ed 2019 Apr 23:1-15. Epub 2019 Apr 23.

a Department of Chemistry and Materials Engineering; Faculty of Chemistry, Materials and Bioengineering , Kansai University , 3-3-35 Yamate-cho , Suita-shi , Osaka 564-8680 , Japan.

Poly(ether ether ketone) (PEEK) is an alternative material to metals for orthopedic applications. However, the compatibility of PEEK with hard tissues needs to be improved. To address this issue, this study proposes a novel technique for PEEK surface modifications. Read More

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http://dx.doi.org/10.1080/09205063.2019.1595305DOI Listing

Alkynylation of Pentose Derivatives with Stereochemical Fidelity: Implications for the Regioselectivity of Alkynyl Diol Cycloisomerizations to Cyclic Enol Ethers.

Org Lett 2019 Apr 23. Epub 2019 Apr 23.

Department of Chemistry , Emory University , Atlanta , Georgia 30322 , United States.

This work characterizes a previously undetected epimerization in the preparation of alkynyl diols from pentose precursors utilizing the Ohira-Bestmann reagent. Lithium trimethylsilyldiazomethane (Colvin reagent) additions to the d-ribose and d-lyxose-derived benzylidene acetals provide the respective alkynyl diol stereoisomers, without epimerization. Regioselective tungsten-catalyzed cycloisomerizations of the d-ribose- and d-lyxose-derived alkynyl diols yield rigid bicyclic pyranose glycals, confirming the stereochemical fidelity of the Colvin alkynylation process. Read More

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http://dx.doi.org/10.1021/acs.orglett.9b01024DOI Listing

A General Carbazole Synthesis via Stitching of Indole-Ynones with Nitromethanes: Application to Total Synthesis of Carbazomycin A, Calothrixin B, and Staurosporinone.

Org Lett 2019 Apr 23. Epub 2019 Apr 23.

School of Chemistry , University of Hyderabad , Hyderabad 500046 , India.

A new, one-pot domino benzannulation reaction between indole-3-ynones and various nitromethane derivatives has been explored for a general entry to diversely functionalized carbazole frameworks (28 examples). The scope of this new benzannulation has been extended to variants like 2-chloroindole-3-ynones to eventuate in chemo-differentiated 1,2,3,4-tetrasubstituted carbazoles with retention of the nitro group. The efficacy of this strategy has been demonstrated through concise total synthesis of natural products, viz. Read More

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http://dx.doi.org/10.1021/acs.orglett.9b01111DOI Listing

Construction of Fused Oxabicyclic Scaffolds from Glycals and Styrenes via One-Pot Domino Transformations.

Org Lett 2019 Apr 23. Epub 2019 Apr 23.

Natural Product Chemistry Division , Indian Institute of Integrative Medicine (IIIM) , Jammu 180001 , India.

Triflic acid catalyzed cascade stereoselective reaction of glycals with styrenes delivers complex oxabicyclic scaffolds such as cis-oxadecalins or cis-cyclopentanofurans simply by tweaking the solvent. In the presence of participating solvents like benzene/toluene, cascade Ferrier C-glycosylation and double Friedel-Crafts reaction leads to densely chiral benzo-fused oxadecalins, whereas in DCM, an unprecedented ring-opening, ring-closing sequence generated cis-cyclopentanofurans. An attempt has been made to explain the above cascade sequences via intermediate trapping, kinetic experiments, and Baldwin's rules. Read More

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http://dx.doi.org/10.1021/acs.orglett.9b00234DOI Listing

Use of the 2-Pyridinesulfonyloxy Leaving Group for the Fast Copper-Catalyzed Coupling Reaction at Secondary Alkyl Carbons with Grignard Reagents.

Org Lett 2019 Apr 23. Epub 2019 Apr 23.

Department of Bioengineering , Tokyo Institute of Technology , Box B-52, Nagatsuta-cho 4259 , Midori-ku, Yokohama 226-8501 , Japan.

Investigation of the copper-catalyzed coupling reaction of 2-pyridinesulfonates with Grignard reagents revealed that reactions with catalytic Cu(OTf) were completed in <40 min. The results differed from those of the previous CuI-catalyzed reactions of tosylates in the presence of additives (LiOMe and TMEDA) for 12-24 h. It was shown that the preferred coordination of the leaving group to the reagents accelerated the reaction. Read More

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http://dx.doi.org/10.1021/acs.orglett.9b00976DOI Listing

Synthesis of 4-Oxoisoxazoline N-Oxides via Pd-Catalyzed Cyclization of Propargylic Alcohols with tert-Butyl Nitrite.

Org Lett 2019 Apr 23. Epub 2019 Apr 23.

State Key Laboratory of Applied Organic Chemistry , Lanzhou University , 222 South Tianshui Road , Lanzhou 730000 , P.R. China.

A cyclization of propargylic alcohols with tert-butyl nitrite at room temperature in air was achieved using Pd(OAc) as catalyst. The first reported 4-oxoisoxazoline N-oxides could be directly accessed from a range of multisubstituted propargylic alcohols in moderate to excellent yields under mild conditions. Density functional theory calculations indicated that the reaction proceeds through a palladium-catalyzed NO addition that efficiently generates a ketoxime radical, which eventually produces 4-oxoisoxazoline N-oxide. Read More

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http://pubs.acs.org/doi/10.1021/acs.orglett.9b00811
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http://dx.doi.org/10.1021/acs.orglett.9b00811DOI Listing
April 2019
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Application of Low-Frequency Raman Scattering Spectroscopy to Probe in Situ Drug Solubilization in Milk during Digestion.

J Phys Chem Lett 2019 Apr 23:2258-2263. Epub 2019 Apr 23.

Drug Delivery, Disposition and Dynamics, Monash Institute of Pharmaceutical Sciences , Monash University (Parkville Campus) , 381 Royal Parade , Parkville , VIC 3052 , Australia.

We have recently shown that real-time monitoring of drug solubilization and changes to solid state of the drug during digestion of milk can be achieved using synchrotron small-angle X-ray scattering. A complementary laboratory-based method to explore such changes is low-frequency Raman spectroscopy, which has been increasingly used to characterize crystalline drugs and their polymorphs in powders and suspensions. This study investigates the use of this technique to monitor in situ drug solubilization in milk during the process of digestion, using a lipolysis model/flow-through configuration identical to that used previously for in situ synchrotron small-angle X-ray scattering studies. Read More

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http://dx.doi.org/10.1021/acs.jpclett.9b00654DOI Listing

Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.

J Med Chem 2019 Apr 23. Epub 2019 Apr 23.

Albany Molecular Research, Inc. , 21 Corporate Circle , Albany , New York 12203 , United States.

Novel pyridine- and pyrimidine-based allosteric inhibitors are reported that achieve PDE4D subtype selectivity through recognition of a single amino acid difference on a key regulatory domain, known as UCR2, that opens and closes over the catalytic site for cAMP hydrolysis. The design and optimization of lead compounds was based on iterative analysis of X-ray crystal structures combined with metabolite identification. Selectivity for the activated, dimeric form of PDE4D provided potent memory enhancing effects in a mouse model of novel object recognition with improved tolerability and reduced vascular toxicity over earlier PDE4 inhibitors that lack subtype selectivity. Read More

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http://dx.doi.org/10.1021/acs.jmedchem.9b00193DOI Listing

Strepantibins A-C: Hexokinase II Inhibitors from a Mud Dauber Wasp Associated Streptomyces sp.

J Nat Prod 2019 Apr 23. Epub 2019 Apr 23.

Department of Pharmacy, College of Marine Science , Shandong University at Weihai , Weihai 264209 , People's Republic of China.

Two new p-terphenyls, strepantibins A and B (1 and 2), along with the first representative of a naturally occurring bisphenyltropone, strepantibin C (3), were characterized from a Streptomyces sp. associated with the larvae of the mud dauber wasp Sceliphron madraspatanum. Their structures were determined by high-resolution electrospray ionization mass spectrometry, NMR, and X-ray crystallography data interpretation. Read More

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http://dx.doi.org/10.1021/acs.jnatprod.8b00821DOI Listing

Trends in Synthesis, Crystal Structure, and Thermal and Magnetic Properties of Rare-Earth Metal Borohydrides.

Inorg Chem 2019 Apr 23. Epub 2019 Apr 23.

Center for Materials Crystallography, Interdisciplinary Nanoscience Center (iNANO) and Department of Chemistry , Aarhus University , Langelandsgade 140 , 8000 Aarhus C , Denmark.

Synthesis, crystal structures, and thermal and magnetic properties of the complete series of halide-free rare-earth (RE) metal borohydrides are presented. A new synthesis method provides high yield and high purity products. Fifteen new metal borohydride structures are reported. Read More

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http://dx.doi.org/10.1021/acs.inorgchem.8b03258DOI Listing

Crystal Structure and Photoluminescence Properties of an Incommensurate Phase in EuO- and PO-Doped CaSiO.

Inorg Chem 2019 Apr 23. Epub 2019 Apr 23.

Department of Life Science and Applied Chemistry , Nagoya Institute of Technology , Nagoya 466-8555 , Japan.

We have for the first time clarified the incommensurately modulated crystal structure as well as the photoluminescence properties of Eu-activated CaSiO solid solution, the chemical formula of which is (CaEu□)(SiP)O, where □ denotes vacancies in Ca sites with the replacement of Si by P. The emission spectrum upon the 335 nm excitation showed a relatively broad band centered at ca. 490 nm and a full width at half-maximum of ca. Read More

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http://dx.doi.org/10.1021/acs.inorgchem.9b00408DOI Listing

Seasonality of the Water-Soluble Inorganic Ion Composition and Water Uptake Behavior of Urban Grime.

Environ Sci Technol 2019 Apr 23. Epub 2019 Apr 23.

Impervious surfaces, especially in urban environments, are coated with a film composed of a complex mixture of substances, referred to as urban grime. Despite its ubiquity, the factors that dictate urban grime composition are still not well understood. Here, we present the first study of the seasonal variation in composition of water-soluble inorganic ions present in urban grime, performed by analysing samples collected in Toronto for 4-week intervals over the course of a year. Read More

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http://dx.doi.org/10.1021/acs.est.9b00532DOI Listing

Redox-Active Zeolitic Transition Metal Oxides Based on ε-Keggin Units for Selective Oxidation.

Inorg Chem 2019 Apr 23. Epub 2019 Apr 23.

Faculty of Engineering , Kanagawa University , Rokkakubashi, Kanagawa-ku, Yokohama-shi , Kanagawa 221-8686 , Japan.

The design and development of zeolitic transition metal oxides for selective oxidation are interesting due to the combination of the redox properties and microporosities. Redox-active zeolitic transition metal oxides based on ε-Keggin iron molybdates were synthesized. O can be activated by the materials via an electron-transfer-based process, and the materials can be oxidized even at room temperature. Read More

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http://dx.doi.org/10.1021/acs.inorgchem.9b00502DOI Listing

X-ray Absorption Spectroscopy Investigations of Copper(II) Coordination in the Human Amyloid β Peptide.

Inorg Chem 2019 Apr 23. Epub 2019 Apr 23.

Molecular and Environmental Sciences Group, Department of Geological Sciences , University of Saskatchewan , 114 Science Place , Saskatoon , Saskatchewan S7N 5E2 , Canada.

Alzheimer's disease (AD) is the main cause of age-related dementia and currently affects approximately 5.7 million Americans. Major brain changes associated with AD pathology include accumulation of amyloid beta (Aβ) protein fragments and formation of extracellular amyloid plaques. Read More

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http://dx.doi.org/10.1021/acs.inorgchem.9b00507DOI Listing

Targeting Energy Metabolism by a Platinum(IV) Prodrug as an Alternative Pathway for Cancer Suppression.

Inorg Chem 2019 Apr 23. Epub 2019 Apr 23.

State Key Laboratory of Pharmaceutical Biotechnology, School of Life Sciences , Nanjing University , Nanjing 210023 , P.R. China.

Cancer is characterized by abnormal cellular energy metabolism, which preferentially switches to aerobic glycolysis rather than oxidative phosphorylation as a means of glucose metabolism. Many key enzymes involved in the abnormal glycolysis are potential targets of anticancer drugs. Platinum(IV) complexes are potential anticancer prodrugs and kinetically more inert than the platinum(II) counterparts, which offer an opportunity to be modified by functional ligands for activation or targeted delivery. Read More

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http://pubs.acs.org/doi/10.1021/acs.inorgchem.9b00708
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http://dx.doi.org/10.1021/acs.inorgchem.9b00708DOI Listing
April 2019
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A Pyrene-Functionalized Metal-Organic Framework for Nonenzymatic and Ratiometric Detection of Uric Acid in Biological Fluid via Conformational Change.

Inorg Chem 2019 Apr 23. Epub 2019 Apr 23.

Department of Chemistry , Indian Institute of Technology Guwahati , Guwahati , 781039 , Assam , India.

In this work, a water-stable, pyrene-functionalized Hf-based mixed-ligand metal-organic framework (MOF) with UiO-66 (UiO = University of Oslo) framework topology was designed and synthesized for the fluorimetric detection of uric acid (UA) in aqueous medium. The free pyrene-functionalized ligand changes its conformation (monomer to excimer) upon framework formation, which was confirmed via fluorescence spectral studies. The MOF material showed a fast, selective, sensitive (detection limit 1. Read More

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http://dx.doi.org/10.1021/acs.inorgchem.8b03629DOI Listing

Enhanced Electrocatalytic Activity of Trace Pt in Ternary CuCoPt Alloy Nanoparticles for Hydrogen Evolution.

Inorg Chem 2019 Apr 23. Epub 2019 Apr 23.

State Key Laboratory of Chemical Resource Engineering, Beijing Advanced Innovation Center for Soft Matter Science and Engineering , College of Chemistry, Beijing University of Chemical Technology , Beijing 100029 , China.

We report an enhanced high electrocatalytic hydrogen evolution activity of trace Pt and Co diluted in ternary CuCoPt alloy nanoparticles with Cu as the substrate. Using only 10% Pt atoms can display even better activity and stability in hydrogen evolution reactions than using pure Pt nanoparticles. Read More

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http://pubs.acs.org/doi/10.1021/acs.inorgchem.9b00694
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http://dx.doi.org/10.1021/acs.inorgchem.9b00694DOI Listing
April 2019
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Luminescent Di- and Tetranuclear Gold Complexes of Bis(diphenylphosphinyl)-Functionalized Dipyrido-Annulated N-Heterocyclic Carbene.

Inorg Chem 2019 Apr 23. Epub 2019 Apr 23.

Department of Applied Chemistry, Graduate School of Engineering , Hiroshima University , Higashi-Hiroshima 7398527 , Japan.

Phosphine-functionalized N-heterocyclic carbene (NHC) ligands are known to complex group 11 metal centers to form multinuclear complexes with photoluminescence properties. This study reports a structurally rigid ortho-substituted dipyrido-annulated NHC with T-shape coordination geometry and its di- and tetranuclear gold(I) complexes. The free ligand as well as all metal complexes are found luminescent at room temperature and phosphorescent at 77 K. Read More

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http://pubs.acs.org/doi/10.1021/acs.inorgchem.9b00514
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http://dx.doi.org/10.1021/acs.inorgchem.9b00514DOI Listing
April 2019
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Pro-nifuroxazide Self-Assembly Leads to Triggerable Nanomedicine for Anti-Cancer Therapy.

ACS Appl Mater Interfaces 2019 Apr 23. Epub 2019 Apr 23.

Transcription factor STAT3 has been shown to regulate genes that are involved in stem cell self-renewal and thus represents a novel therapeutic target of great biological significance. However, many small molecule agents with potential effects in cancer therapy lack aqueous solubility and high off-target toxicity, hence impeding efficient bioavailability and activity. This work, for the first time, reports a prodrug-based strategy for selective and safer delivery of STAT3 inhibitors designed towards metastatic and drug resistant breast cancer. Read More

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http://pubs.acs.org/doi/10.1021/acsami.9b01343
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http://dx.doi.org/10.1021/acsami.9b01343DOI Listing
April 2019
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Cl2 Production by Photocatalytic Oxidation of HCl over TiO2.

ChemSusChem 2019 Apr 23. Epub 2019 Apr 23.

Ruhr-University Bochum, Chemistry and Biochemistry, Universitätsstr. 150, 44801, Bochum, GERMANY.

We studied the photocatalytic aerobic oxidation of HCl over TiO2 for producing Cl2. Steady-state Cl2 production rates were determined with a photocatalytic fixed-bed gas-phase reactor equipped with UV LEDs using iodometric titration as online analytics. We found stable Cl2 production rates of up to 16 mmol h-1 m-2 for the commercial anatase TiO2 Hombikat UV100. Read More

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http://dx.doi.org/10.1002/cssc.201900642DOI Listing

Multifunctional Organic Emitters for High-performance and Low-cost Organic Light-emitting Didoes.

Chem Rec 2019 Apr 23. Epub 2019 Apr 23.

Microelectronic R&D Center, School of Mechatronic Engineering and Automation, Shanghai University, 149 Yanchang Road, Shanghai, 200072, P. R. China.

Organic light-emitting diodes (OLEDs) have great potential applications in display and solid-state lighting. Stability, cost and high operational efficiency are key issues governing the future commercial application of OLEDs. In this context, searching for multifunctional emitting materials with acceptable light-emitting and charge-transporting characteristics has gained increasing attention. Read More

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http://dx.doi.org/10.1002/tcr.201900005DOI Listing

Benzodithiophene-fused Perylene Bisimides as Electron Acceptors for Non-fullerene Organic Solar Cells with High Open-Circuit Voltage.

Chemphyschem 2019 Apr 23. Epub 2019 Apr 23.

Institute of Chemistry, Chinese Academy of Sciences, CAS Key Laboratory of Organic Solids, Zhongguancun North First Street 2, 3#303, 100190, Beijing, CHINA.

Tandem-junction organic solar cells require solar cells with visible light photo-response as front cells, in which an open-circuit voltage (Voc) above 1.0 V is highly demanded. In this work, we are able to develop electron acceptors to fabricate non-fullerene organic solar cells (NFOSCs) with a very high Voc of 1. Read More

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http://dx.doi.org/10.1002/cphc.201900309DOI Listing

Synthesis of New Cyclomarin Derivatives and Their Biological Evaluation towards Mycobacterium Tuberculosis and Plasmodium Falciparum.

Chemistry 2019 Apr 23. Epub 2019 Apr 23.

Saarland University, Organic Chemistry, Campus, Bldg. C4.2, 66123, Saarbrücken, GERMANY.

Cyclomarins are highly potent antimycobacterial and antiplasmodial cyclopeptides isolated from a marine bacterium (Streptomyces sp.). Previous studies have identified the target proteins and elucidated a novel mode of action, however there are currently only a few studies examining the structure-activity relationship (SAR) for both pathogens. Read More

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http://dx.doi.org/10.1002/chem.201901640DOI Listing
April 2019
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Recyclable nanographene-based micromachines for the on-the-fly capture of nitroaromatic explosives.

Nanoscale 2019 Apr 23. Epub 2019 Apr 23.

Center for the Advanced Functional Nanorobots, Department of Inorganic Chemistry, University of Chemistry and Technology, Technická 5, Prague, Czech Republic. and Department of Chemical and Biomolecular Engineering, Yonsei University, 50 Yonsei-ro, Seodaemun-gu, Seoul 03722, Korea.

It has been more than a decade since nano/micromachines (NMMs) have received the particular attention of scientists in different research fields. They are able to convert chemical energy into mechanical motion in their surrounding environment. Herein, a powerful, efficient and fast strategy of using nanosized reduced graphene oxide flake (n-rGO)-based self-propelled tubular micromachines for the removal of nitroaromatic compounds (NACs) is described. Read More

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http://dx.doi.org/10.1039/c9nr02211bDOI Listing

Chiral heteronanotubes: arrangement-dominated chiral interface states and conductivities.

Nanoscale 2019 Apr 23. Epub 2019 Apr 23.

Department of Physics, Harbin Institute of Technology, Harbin, 150001, P. R. China. and School of Energy Science and Engineering, Harbin Institute of Technology, Harbin, 150001, P. R. China.

Structural analogue between pure carbonic nanostructures and their boron nitride counterparts provides possibilities for the fabrication of BCN hetero-nanomaterials, which have attracted widespread interest and been synthesized with stacked-layer, monolayer and tubular morphologies. In this work, the arrangement-dominated chiral interface states and conductivities of BCN heteronanotubes are investigated in detail by first principles calculations. The π-conjugated states can be driven by the high potential barrier of insulating BN domains to form chiral transport states along the interfaces. Read More

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http://dx.doi.org/10.1039/c9nr01996kDOI Listing

Tuning the coupling interface of ultrathin NiS@NiV-LDH heterogeneous nanosheet electrocatalysts for improved overall water splitting.

Nanoscale 2019 Apr 23. Epub 2019 Apr 23.

School of Materials Science & Engineering, Shaanxi Key Laboratory of Green Preparation and Functionalization for Inorganic Materials, Shaanxi University of Science and Technology, Xi'an Shaanxi 710021, P.R. China. and Research Laboratory of Hydrothermal Chemistry, Faculty of Science and Technology, Kochi University, Kochi, 780-8520, Japan.

Tuning the coupling interface of a heterostructured catalyst is an effective approach to achieve abundant surface catalytic active sites and strong electronic interactions among active materials for improving electrocatalytic water splitting performance. Herein, we report a novel heterogeneous catalyst comprising Ni3S2 nanoparticles embedded in ultrathin NiV-layered double hydroxide nanosheet arrays supported on nickel foam, denoted as Ni3S2@NiV-LDH/NF. We demonstrate that the active edge-state length and the surface chemical state of such NiV-LDH-based heterostructures are well modulated by tailoring the coupling interfaces, resulting in the exposure of more catalytic reaction sites and enhancement of the electronic interactions between NiV-LDH and Ni3S2, thus greatly promoting the water dissociation kinetics. Read More

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http://xlink.rsc.org/?DOI=C9NR00658C
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http://dx.doi.org/10.1039/c9nr00658cDOI Listing
April 2019
1 Read

Flexibility control in alkyl ether-functionalized pillared-layered MOFs by a Cu/Zn mixed metal approach.

Dalton Trans 2019 Apr 23. Epub 2019 Apr 23.

Lehrstuhl für Anorganische Chemie II - Organometallics and Materials, Ruhr Universität Bochum, Universitätsstraße 150, 44801 Bochum, Germany.

Flexible metal-organic frameworks (MOFs) exhibit large potential as next-generation materials in areas such as gas sensing, gas separation and mechanical damping. By using a mixed metal approach, we report how the stimuli reponsive phase transition of flexible pillared-layered MOFs can be tuned over a wide range. Different Cu2+ to Zn2+ metal ratios are incorporated into the materials by using a simple solvothermal approach. Read More

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http://dx.doi.org/10.1039/c9dt01105fDOI Listing

Isolation of chloride- and hydride-bridged tri-iron and -zinc clusters in a tris(β-oxo-δ-diimine) cyclophane ligand.

Dalton Trans 2019 Apr 23. Epub 2019 Apr 23.

Department of Chemistry, Center for Catalysis, University of Florida, Gainesville, FL 32611-7200, USA.

A cyclophane ligand (H6L) bearing three β-oxo-δ-diimine arms and the corresponding tri-iron and -zinc complexes in which the metal ions are bridged by either chlorides, viz. Fe3Cl3(H3L) (1) and Zn3Cl3(H3L) (2), or hydrides, viz. Fe3H3(H3L) (3), Zn3H3(H3L) (4), were synthesized and characterized. Read More

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http://dx.doi.org/10.1039/c9dt00799gDOI Listing

Conformational preference and cationic structure of 2-methylpyrazine by VUV-MATI spectroscopy and natural bond orbital analysis.

Phys Chem Chem Phys 2019 Apr 23. Epub 2019 Apr 23.

Department of Chemistry, College of Natural Sciences and Institute for Molecular Science and Fusion Technology, Kangwon National University, Chuncheon 24341, Korea.

Alkylpyrazines, which are well-known as aromatic substances and traditional medicines, are interesting molecular systems, and their methyl conformations result in unique structural and dynamical properties. We explored the conformational preference of the methyl group and the highest occupied molecular orbitals (HOMOs) of 2-methylpyrazine and its cation by utilizing high-resolution one-photon vacuum ultraviolet mass-analyzed threshold ionization (VUV-MATI) spectroscopy and natural bond orbital analysis to understand the relevant molecular activities. The measured VUV-MATI spectrum of 2-methylpyrazine revealed its adiabatic ionization energy and the vibrational frequencies of its cation. Read More

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http://dx.doi.org/10.1039/c9cp00766kDOI Listing

Photoelectron-photofragment coincidence studies of I using an electrospray ionization source and a linear accelerator.

Faraday Discuss 2019 Apr 23. Epub 2019 Apr 23.

Department of Chemistry and Biochemistry, University of California, San Diego, 9500 Gilman Dr, La Jolla, Ca 92093-0340, USA.

Photoelectron-photofragment coincidence (PPC) spectroscopy is used to examine the dissociative photodetachment (DPD) of I3-. The high beam energy PPC spectrometer for complex anions couples an electrospray ionization source, a hexapole accumulation ion trap and a linear accelerator to produce fast beams of I3- (M = 381 amu) anions, the heaviest system studied to date. Following photodetachment, the photoelectron and up to three photofragments are recorded in coincidence yielding a kinematically complete picture of the DPD dynamics at beam energies of 11 keV and 21 keV. Read More

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http://dx.doi.org/10.1039/c8fd00216aDOI Listing

Intratumoral delivery of M-CSF by calcium crosslinked polymer micelles enhances cancer immunotherapy.

Biomater Sci 2019 Apr 23. Epub 2019 Apr 23.

Key Laboratory of Organ Regeneration and Transplantation of Ministry of Education, Institute of Immunology, The First Hospital, Jilin University, Changchun, Jilin, China. and International Center of Future Science, Jilin University, Changchun, Jilin, China and National-local Joint Engineering Laboratory of Animal Models for Human Diseases, Changchun, Jilin, China and State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun, Jilin, China.

Immunotherapy has shown promising results in multiple malignancies. However, there are still significant challenges in cancer immunotherapy including the powerful immunosuppressive tumor microenvironment and adverse off-target side effects. Nanomaterials with defined physico-biochemical properties are versatile drug delivery platforms that may address these key technical challenges faced by cancer immunotherapy. Read More

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http://dx.doi.org/10.1039/c9bm00226jDOI Listing

Two-dimensional electronic vibrational spectroscopy and ultrafast excitonic and vibronic photosynthetic energy transfer.

Faraday Discuss 2019 Apr 23. Epub 2019 Apr 23.

Department of Chemistry, University of California, Berkeley 94720, USA. and Molecular Biophysics and Integrated Bioimaging Division, Lawrence Berkeley National Lab, Berkeley, California 94720, USA and Kavli Energy Nanosciences Institute at Berkeley, Berkeley, California 94720, USA.

Two-dimensional electronic-vibrational (2DEV) spectroscopy is a new coherent spectroscopic technique, which shows considerable promise for unravelling complex molecular dynamics. In this Discussion we describe an application to the energy transfer pathway in the major light harvesting protein, LHCII, providing new data on the center line slopes (CLS) of the spectral peaks. The CLS provides information that appears unique to the 2DEV method. Read More

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http://dx.doi.org/10.1039/c8fd00190aDOI Listing

Stackable molecular chairs.

Chem Commun (Camb) 2019 Apr 23. Epub 2019 Apr 23.

Department of Chemistry & Biochemistry, The Ohio State University, 100 West 18th Avenue, 43210 Columbus, Ohio, USA.

We describe the design, preparation and assembly of chair-shaped molecules, comprising a tris-bicyclo[2.2.1]heptane hub that extends into three phthalimides carrying amino acids or short peptides. Read More

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http://xlink.rsc.org/?DOI=C9CC01664C
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http://dx.doi.org/10.1039/c9cc01664cDOI Listing
April 2019
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How charges separate: correlating disorder, free energy, and open-circuit voltage in organic photovoltaics.

Faraday Discuss 2019 Apr 23. Epub 2019 Apr 23.

University of Houston, Department of Chemistry, Department of Physics, Houston, TX, USA.

In order for a photovoltaic cell to function, charge carriers produced by photoexcitation must fully dissociate and overcome their mutual Coulomb attraction to form free polarons. This becomes problematic in organic systems in which the low dielectric constant of the material portends a long separation distance between independent polaron pairs. In this paper, we discuss our recent efforts to correlate the role of density of states, entropy, and configurational and energetic disorder to the open-circuit voltage, VOC, of model type-II organic polymer photovoltaics. Read More

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http://dx.doi.org/10.1039/c8fd00182kDOI Listing

Probing eumelanin photoprotection using a catechol:quinone heterodimer model system.

Faraday Discuss 2019 Apr 23. Epub 2019 Apr 23.

Department of Chemistry and Biochemistry, The Ohio State University, 100 West 18th Avenue, Columbus, Ohio 43210, USA.

Eumelanin is a natural pigment with photoprotective and radical scavenging characteristics, which are vital for a multitude of living organisms. However, the molecular mechanisms behind these functions remain obscure, in part because eumelanin is a heterogeneous polymer composed of a complex assortment of structural and chemical domains. Despite uncertainty about its precise structure, the functional units of eumelanin are thought to include quinones in various oxidation states. Read More

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http://dx.doi.org/10.1039/c8fd00231bDOI Listing

A novel photochromic metal-organic framework with good anion and amine sensing.

Dalton Trans 2019 Apr 23. Epub 2019 Apr 23.

Institute of polyoxometalate Chemistry, Department of Chemistry, Northeast Normal University, Changchun, Jilin 130024, PR China.

A novel metal-organic hybrid photochromic compound [Zn (CV) (L2)]·2H2O (1) (CV = N,N'-4,4'-bipyridiniodipropionate, H2L2 = isophthalic acid) has been synthesized solvothermally. Compound 1 features a two-dimensional (2D) framework structure, exhibiting photochromic properties under sunlight and UV irradiation with an obvious color change from colorless to dark blue. Meanwhile, the luminescence properties of 1 were investigated, and the results suggested that 1 has good properties of detecting dichromate ions. Read More

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http://dx.doi.org/10.1039/c8dt05032eDOI Listing

Understanding the potential for efficient triplet harvesting with hot excitons.

Faraday Discuss 2019 Apr 23. Epub 2019 Apr 23.

Chemistry-School of Natural and Environmental Sciences, Newcastle University, Newcastle upon Tyne, NE1 7RU, United Kingdom.

Excited state energy transfer in disordered systems has attracted significant attention owing to the importance of this phenomenon in both artificial and natural systems that operate in electronically excited states. Of particular interest, especially in the context of organic electronics, is the dynamics of triplet excited states. Due to their weak coupling to the singlet manifold they can often act as low energy trapping sites and are therefore detrimental to device performance. Read More

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http://dx.doi.org/10.1039/c8fd00174jDOI Listing

Methods of synthesis, properties and biomedical applications of polyhydroxyalkanoates: a review.

J Biomater Sci Polym Ed 2019 Apr 23:1-18. Epub 2019 Apr 23.

a "Evaluation and Conservation of Cultural Heritage" Research Group, National Institute for Research and Development in Chemistry and Petrochemistry, ICECHIM, Bucharest, Romania.

This study aims to provide an overview of the main polyhydroxyalkanoates (PHAs) used in medical applications. In this review, it has been demonstrated that the properties of PHAs can be controlled both by varying the concentration of units in the copolymer and the substrate for PHA production. Another way of controlling the mechanical properties of PHAs is varying the 3HV content, such as the case of P(3HB-co-3HV). Read More

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https://www.tandfonline.com/doi/full/10.1080/09205063.2019.1
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http://dx.doi.org/10.1080/09205063.2019.1605866DOI Listing
April 2019
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Multi-walled carbon nanotubes (MWCNTs) promoted lipid accumulation in THP-1 macrophages through modulation of endoplasmic reticulum (ER) stress.

Nanotoxicology 2019 Apr 23:1-14. Epub 2019 Apr 23.

a Key Laboratory of Environment-Friendly Chemistry and Application of Ministry of Education, Laboratory of Biochemistry , College of Chemistry, Xiangtan University , Xiangtan , People's Republic of China.

Recent studies from us and others have shown that nanoparticle (NP) exposure could modulate endoplasmic reticulum (ER) stress. Since ER stress is closely related to lipid droplet biogenesis, in this study, we investigated if multi-walled carbon nanotubes (MWCNTs) might influence lipid accumulation in THP-1 macrophages through the modulation of ER stress. Exposure to up to 64 μg/mL pristine MWCNTs (p-MWCNTs), hydroxylated MWCNTs (h-MWCNTs), and carboxylated MWCNTs (c-MWCNTs) led to NP internalization, which was associated with a modest increase of cytotoxicity. Read More

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http://dx.doi.org/10.1080/17435390.2019.1597204DOI Listing

A murine model of the effects of inhaled CuO nanoparticles on cells of innate and adaptive immunity - a kinetic study of a continuous three-month exposure.

Nanotoxicology 2019 Apr 23:1-12. Epub 2019 Apr 23.

c Department of Genetic Toxicology and Nanotoxicology , Institute of Experimental Medicine of the Czech Academy of Sciences , Prague , Czech Republic.

The inhalation or application of nanoparticles (NPs) has serious impacts on immunological reactivity. However, the effects of NPs on the immune system are influenced by numerous factors, which cause a high variability in the results. Here, mice were exposed to a three month continuous inhalation of copper oxide (CuO) NPs, and at different time intervals (3, 14, 42 and 93 days), the composition of cell populations of innate and adaptive immunity was evaluated in the spleen by flow cytometry. Read More

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http://dx.doi.org/10.1080/17435390.2019.1602679DOI Listing
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