811 results match your criteria Chemistryopen[Journal]


Chiral Triptycenes in Supramolecular and Materials Chemistry.

ChemistryOpen 2020 Jun 12;9(6):719-727. Epub 2020 Jun 12.

Department of Chemistry and INSTM Research Unit University of Pavia - Italy Via Taramelli 12 27100 Pavia Italy.

Triptycenes are an intriguing class of organic molecules with several unusual characteristics, such as a propeller-like shape, saddle-like cavities around a symmetrical scaffold, a rigid π-framework. They have been extensively studied and proposed as key synthons for a variety of applications in supramolecular chemistry and materials science. When decorated with an appropriate substitution pattern, triptycenes can be chiral, and, similarly to other popular chiral π-extended synthons, can express chirality robustly, efficiently, and with relevance to chiroptical spectroscopies. Read More

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http://dx.doi.org/10.1002/open.202000077DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7290281PMC

PEO-LITFSI-SiO-SN System Promotes the Application of Polymer Electrolytes in All-Solid-State Lithium-ion Batteries.

ChemistryOpen 2020 Jun 12;9(6):713-718. Epub 2020 Jun 12.

Foshan (Southern China) Institute of New Materials 17 Shenhai Road, Foshan Guangdong 528200 China.

All-solid-state polymer lithium-ion batteries are ideal choice for the next generation of rechargeable lithium-ion batteries due to their high energy, safety and flexibility. Among all polymer electrolytes, PEO-based polymer electrolytes have attracted extensive attention because they can dissolve various lithium salts. However, the ionic conductivity of pure PEO-based polymer electrolytes is limited due to high crystallinity and poor segment motion. Read More

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http://dx.doi.org/10.1002/open.202000107DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7290286PMC

Contemporary Synthesis of Ultrasmall (sub-10 nm) Upconverting Nanomaterials.

ChemistryOpen 2020 Jun 12;9(6):703-712. Epub 2020 Jun 12.

Institute of Radiopharmaceutical Cancer Research Helmholtz-Zentrum Dresden-Rossendorf Bautzner Landstraße 400 D 01328 Dresden Germany.

Due to their unique photophysical properties, upconverting nanoparticles (UCNPs), i. e. particles capable of converting near-infrared (NIR) photons into tunable emissions in the range of ultraviolet (UV) to NIR, have great potential for use in various biomedical fields such as bioimaging, photodynamic therapy and bioanalytical applications. Read More

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http://dx.doi.org/10.1002/open.202000073DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7290284PMC

Regenerated Hoof Keratin from 1-Ethyl-3-Methylimidazolium Acetate and Insights into Disulfide-Ionic Liquid Interactions from MD Simulation.

ChemistryOpen 2020 Jun 8;9(6):695-702. Epub 2020 Jun 8.

Mulliken Center for Theoretical Chemistry Institute of Physical and Theoretical Chemistry Rheinische Friedrich-Wilhelms-Universität Bonn Beringstraße 4 53115 Bonn Germany.

Regeneration of the hoof keratin from ionic liquids was never successful in the past because the ionic liquids were not strong enough. However, this biomaterial starts to play a central role for the preparation of biofilms in the future. In the present study, hoof keratin was regenerated for the first time from an ionic liquid by experiment and characterized by FTIR spectroscopy, Differential Scanning Calorimetry (DSC) and Scanning Electron Microscopy (SEM). Read More

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http://dx.doi.org/10.1002/open.202000096DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7280737PMC

Variations in Proteins Dielectric Constants.

ChemistryOpen 2020 Jun 8;9(6):691-694. Epub 2020 Jun 8.

Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY Notkestrasse 85 22607 Hamburg Germany.

Using a new semi-empirical method for calculating molecular polarizabilities and the Clausius-Mossotti relation, we calculated the static dielectric constants of dry proteins for all structures in the protein data bank (PDB). The mean dielectric constant of more than 150,000 proteins is with a standard deviation of 0.04, which agrees well with previous measurement for dry proteins. Read More

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http://dx.doi.org/10.1002/open.202000108DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7280738PMC

-Functionalised Imidazoles as Stabilisers for Metal Nanoparticles in Catalysis and Anion Binding.

ChemistryOpen 2020 Jun 8;9(6):683-690. Epub 2020 Jun 8.

Chemistry Research Laboratory, Department of Chemistry University of Oxford Mansfield Road Oxford OX1 3TA UK.

Metal nanoparticles (NPs) have physicochemical properties which are distinct from both the bulk and molecular metal species, and provide opportunities in fields such as catalysis and sensing. NPs typically require protection of their surface to impede aggregation, but these coatings can also block access to the surface which would be required to take advantage of their unusual properties. Here, we show that alkyl imidazoles can stabilise Pd, Pt, Au, and Ag NPs, and delineate the limits of their synthesis. Read More

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http://dx.doi.org/10.1002/open.202000145DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7280736PMC

Delocalization in Substituted Benzene Dications: A Magnetic Point of View.

ChemistryOpen 2020 Jun 2;9(6):657-661. Epub 2020 Jun 2.

Departamento de Física Aplicada Centro de Investigación y de Estudios Avanzados Unidad Mérida. Km 6 Antigua Carretera a Progreso. Apdo. Postal 73, Cordemex 97310 Mérida, Yuc. México.

In this work, the induced magnetic field is analyzed for a series of substituted benzenes dications with formula CR (R=I, At, SeH, SeCH, TeH, TeCH), presumably exhibiting concentric aromaticity. Previous studies concluded that in the carbon skeleton, just π-electrons are delocalized. However, our results support that both the σ- and π-electrons are delocalized in the carbon skeleton, combined with a σ-delocalization in the external ring. Read More

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http://dx.doi.org/10.1002/open.202000105DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7266496PMC

Effect of Reaction Media on Photosensitized [2+2]-Cycloaddition of Cinnamates.

ChemistryOpen 2020 Jun 5;9(6):649-656. Epub 2020 May 5.

Institute of Organic Chemistry University of Regensburg Universitätstr. 31 Regensburg 93053 Germany.

The outcome of photosensitized [2+2]-cycloaddition reactions of various cinnamates has been compared in different reaction media, including homogeneous organic solutions under inert conditions, degassed water, and aerated physical gels. The reactions were performed under LED blue light (λ=455 nm) irradiation and [Ir{dF(CF)ppy}(dtb-bpy)]PF (1.0 mol%) as photocatalyst. Read More

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http://dx.doi.org/10.1002/open.202000092DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7266492PMC

Structure of Supramers Formed by the Amphiphile Biotin-CMG-DOPE.

ChemistryOpen 2020 Jun 6;9(6):641-648. Epub 2020 Apr 6.

Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry Russian Academy of Sciences 16/10 Miklukho-Maklaya str. Moscow 117997 Russia.

The synthetic function-spacer-lipid (FSL) amphiphile biotin-CMG-DOPE is widely used for delicate ligation of living cells with biotin residues under physiological conditions. Since this molecule has an "apolar-polar-hydrophobic" gemini structure, the supramolecular organization is expected to differ significantly from the classical micelle. Its organization is investigated with experimental methods and molecular dynamics simulations (MDS). Read More

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http://dx.doi.org/10.1002/open.201900276DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7266497PMC

Structure of Supramers Formed by the Amphiphile Biotin-CMG-DOPE.

ChemistryOpen 2020 Jun 2;9(6):640. Epub 2020 Jun 2.

Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry Russian Academy of Sciences 16/10 Miklukho-Maklaya str. Moscow 117997 Russia.

https://doi.org/10.1002/open. Read More

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http://dx.doi.org/10.1002/open.202000139DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7266493PMC

Interaction of Aluminum Metaphosphates in the Setting of Potassium Silicate Solutions in Terms of the Crystalline Phase Composition.

ChemistryOpen 2020 May 28;9(5):631-636. Epub 2020 May 28.

Institute for Integrated Natural Sciences Department of Chemistry Technical Chemistry and Corrosion Sciences Universität Koblenz-Landau Universitätsstr. 1 56070 Koblenz Germany.

Aluminum phosphates are known as inorganic hardening agents for the setting of alkali silicate solutions, but only few studies have been published on the setting mechanism of potassium water glass. The solution behavior of two aluminum metaphosphates in alkaline environments were investigated photometrically determining the dissolved aluminum content. The crystalline phase composition of the hardened potassium silicate systems was determined by X-ray diffraction. Read More

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http://dx.doi.org/10.1002/open.202000060DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7254936PMC

Superior Antibacterial Activity of Integral Lemon Pectin Extracted via Hydrodynamic Cavitation.

ChemistryOpen 2020 May 28;9(5):628-630. Epub 2020 May 28.

Istituto per lo Studio dei Materiali Nanostrutturati, CNR via U. La Malfa 153 90146 Palermo Italy.

Pectin extracted via hydrodynamic cavitation in water only from waste lemon peel and further isolated via freeze drying displays significant antibacterial activity against , a Gram positive pathogen which easily contaminates food. The antibacterial effect of the new IntegroPectin is largely superior to that of commercial citrus pectin, opening the way to advanced applications of a new bioproduct now obtainable in large amounts and at low cost from citrus juice industry's waste. Read More

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http://dx.doi.org/10.1002/open.202000076DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7254935PMC

Theoretical Limit of the Color-Change Sensitivity of a Composite Resin Dosimeter Film Based on Spiropyran/BaFCl : Eu/Polystyrene.

ChemistryOpen 2020 May 27;9(5):623-627. Epub 2020 May 27.

Faculty of Materials Science and Engineering Kyoto Institute of Technology Matsugasaki Sakyo, Kyoto 606-8585 Japan.

The theoretical limit of the color-change sensitivity of a composite resin dosimeter film based on 6-nitro BIPS/BaFCl : Eu/polystyrene under X-ray exposure has been estimated. Each photophysical and photochemical process occurring inside the composite resin dosimeter was quantitatively determined, and the obtained values were used to estimate the theoretical limit of the color-change sensitivity for the composite resin dosimeter. The values obtained were 70. Read More

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http://dx.doi.org/10.1002/open.202000071DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7253063PMC

Reversal of Clar's Aromatic-Sextet Rule in Ultrashort Single-End-Capped [5,5] Carbon Nanotubes.

ChemistryOpen 2020 May 27;9(5):616-622. Epub 2020 May 27.

Dipartimento di Chimica e Biologia "A. Zambelli" Università degli studi di Salerno via Giovanni Paolo II 132 Fisciano 84084 SA Italy.

The three-fold HOMO-LUMO gap oscillation, typical of finite length armchair carbon nanotubes (CNT), has a major effect on the magnetic response of ultrashort, single-end-capped [5,5] carbon nanotubes to a perturbing magnetic field parallel to the main symmetry axis. For the CNT's containing 40, 70, and 100 carbon atoms, for which 100 % of the C=C double bonds can be grouped into aromatic-sextets, i. e. Read More

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http://dx.doi.org/10.1002/open.202000091DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7253069PMC

Impact of Membrane Types and Catalyst Layers Composition on Performance of Polymer Electrolyte Membrane Fuel Cells.

ChemistryOpen 2020 May 20;9(5):607-615. Epub 2020 May 20.

Zentrum für Sonnenenergie-und Wasserstoff-Forschung Baden-Württemberg (ZSW) Brennstoffzellen Grundlagen (ECG Helmholtzstrasse 8 89081 Ulm Germany.

Performance of a low temperature polymer electrolyte membrane fuel cell (PEMFC) is highly dependent on the kind of catalysts, catalyst supports, ionomer amount on the catalyst layers (CL), membrane types and operating conditions. In this work, we investigated the influence of membrane types and CL compositions on MEA performance. MEA performance increases under all practically relevant load conditions with reduction of the membrane thickness from 50 to 15 μm, however further decrease in membrane thickness from 15 to 10 μm leads to reduction in cell voltage at high current loads. Read More

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http://dx.doi.org/10.1002/open.202000089DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7239269PMC

Molar Entropy and Enthalpy of CO Adsorbed in Zeolites as Derived from VTIR Data: Role of Intermolecular Modes.

ChemistryOpen 2020 May 20;9(5):599-606. Epub 2020 May 20.

Department of Applied Science and Technology and INSTM Unit of Torino Politecnico Politecnico di Torino Corso Duca degli Abruzzi, 24 10129 Torino Italy.

Detailed analysis of recently reported variable-temperature IR (VTIR) spectra of carbon monoxide adsorbed in alkaline zeolites shows how, not only the corresponding values of standard adsorption enthalpy ( ) and entropy ( ) can be obtained, but also the thermodynamic values of molar entropy and enthalpy which characterize the adsorbed gas phase. In addition, it is shown that the so obtained molar entropy data can lead to new insights into soft molecular modes, which would be hardly accessible by conventional IR spectroscopic techniques. Read More

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http://dx.doi.org/10.1002/open.202000019DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7239313PMC

Porous Organic Polymers as Fire-Resistant Additives and Precursors for Hyperporous Carbon towards Oxygen Reduction Reactions.

ChemistryOpen 2020 May 20;9(5):593-598. Epub 2020 May 20.

School of pharmacy Weifang Medical University Weifang 261053, Shandong P. R. China.

Cyclotriphosphazene (CP) based porous organic polymers (POPs) have been designed and prepared. The introduction of CP into the porous skeleton endowed special thermal stability and outstanding flame retardancy to prepared polymers. The nonflammable level of PNK-CMP fabricated via the condensation of 2,2'-(1,4-phenylene)diacetonitrile (DAN) and hexakis(4-acetylphenoxy)cyclotriphosphazene (HACTP) through Knoevenagel reaction, in vertical burning tests reached V-2 class (UL-94) and the limiting oxygen index (LOI) reached 20. Read More

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http://dx.doi.org/10.1002/open.202000059DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7239271PMC

Self-Assembly Anisotropic Magnetic Nanowire Films Induced by External Magnetic Field.

ChemistryOpen 2020 May 20;9(5):588-592. Epub 2020 May 20.

Division of Nanomaterials & Chemistry Hefei National Laboratory for Physical Sciences at the Microscale Department of Chemistry University of Science and Technology of China Hefei 230026 China.

Self-assembly generated materials induced by an external magnetic field have attracted considerable interest following the development of nanodevices. However, the fabrication of macroscopic and anisotropic magnetic films at the nanoscale remains a challenge. Here, anisotropic magnetic films are successfully prepared using a solution-based nanowire assembly strategy under a magnetic field. Read More

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http://dx.doi.org/10.1002/open.202000106DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7239272PMC

Dual-Templating Approaches to Soybeans Milk-Derived Hierarchically Porous Heteroatom-Doped Carbon Materials for Lithium-Ion Batteries.

ChemistryOpen 2020 May 12;9(5):582-587. Epub 2020 May 12.

School of Chemistry and Chemical Engineering Nanjing University Nanjing 210023 P. R. China.

Biomass derived carbon materials are widely available, cheap and abundant resources. The application of these materials as electrodes for rechargeable batteries shows great promise. To further explore their applications in energy storage fields, the structural design of these materials has been investigated. Read More

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http://dx.doi.org/10.1002/open.202000081DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7216455PMC

Protein Assays on Organic Electronics: Rational Device and Material Designs for Organic Transistor-Based Sensors.

ChemistryOpen 2020 May 12;9(5):573-581. Epub 2020 May 12.

Institute of Industrial Science The University of Tokyo 4-6-1 Komaba, Meguro-ku Tokyo 153-8505 Japan.

Artificial receptor-based protein assays have various attractive features such as a long-term stability, a low-cost production process, and the ease of tuning the target specificity. However, such protein sensors are still immature compared with conventional immunoassays. To enhance the application potential of synthetic sensing materials, organic field-effect transistors (OFETs) are some of the suitable platforms for protein assays because of their solution processability, durability, and compact integration. Read More

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http://dx.doi.org/10.1002/open.202000025DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7216454PMC

Charged Tags for the Identification of Oxidative Drug Metabolites Based on Electrochemistry and Mass Spectrometry.

ChemistryOpen 2020 May 6;9(5):568-572. Epub 2020 May 6.

Department of Chemistry Johannes Gutenberg University Mainz Duesbergweg 10-14 55128 Mainz Germany.

Most of the active pharmaceutical ingredients like Metoprolol are oxidatively metabolized by liver enzymes, such as Cytochrome P450 monooxygenases into oxygenates and therefore hydrophilic products. It is of utmost importance to identify the metabolites and to gain knowledge on their toxic impacts. By using electrochemistry, it is possible to mimic enzymatic transformations and to identify metabolic hot spots. Read More

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http://dx.doi.org/10.1002/open.202000084DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7202420PMC

Deep Eutectic Solvents Based on Natural Ascorbic Acid Analogues and Choline Chloride.

ChemistryOpen 2020 May 4;9(5):550-558. Epub 2020 May 4.

Green Chemistry Centre of Excellence, Department of Chemistry University of York Heslington YO10 5DD United Kingdom.

Deep eutectic solvents (DES) are one of the most promising green technologies to emerge in recent years given their combination of environmentally friendly credentials and useful functionalities. Considering the continued search for new DES - especially those that exemplify the aforementioned characteristics, we report the preparation of DES based on natural analogues of l-ascorbic acid for the first time. The onset of eutectic melting occurred at temperatures far below the melting point of the individual components and resulted in the generation of glass forming fluids with glass transition temperatures, viscosities and flow behavior that are comparable to similar systems. Read More

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http://dx.doi.org/10.1002/open.202000020DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7197082PMC

Predicting the Photoelectron Spectra of Quasi Octahedral AlMo Cluster.

Authors:
Paulo H Acioli

ChemistryOpen 2020 May 4;9(5):545-549. Epub 2020 May 4.

Department of Physics and Astronomy Northeastern Illinois University Chicago, Illinois 60625 USA.

We have recently developed a computational methodology to separate the effects of size, composition, symmetry and fluxionality in explaining the experimental photoelectron spectra of mixed-metal clusters. This methodology was successfully applied first in explaining the observed differences between the spectra of Al and AlNi and more recently to explain the measured spectra of AlMo, n=3-5,7 clusters. The combination of our approach and new synthesis techniques can be used to prepare cluster-based materials with tunable properties. Read More

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http://dx.doi.org/10.1002/open.202000079DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7197085PMC

Configurational Selection in Azobenzene-Based Supramolecular Systems Through Dual-Stimuli Processes.

ChemistryOpen 2020 May 4;9(5):529-544. Epub 2020 May 4.

School of Chemistry Cardiff University Main Building Park Place CF10 3AT Cardiff, Wales UK.

Azobenzene is one of the most studied light-controlled molecular switches and it has been incorporated in a large variety of supramolecular systems to control their structural and functional properties. Given the peculiar isomeric distribution at the photoexcited state (PSS), azobenzene derivatives have been used as photoactive framework to build metastable supramolecular systems that are out of the thermodynamic equilibrium. This could be achieved exploiting the peculiar / photoisomerization process that can lead to isomeric ratios that are unreachable in thermal equilibrium conditions. Read More

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http://dx.doi.org/10.1002/open.202000045DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7197086PMC

-Nucleoside Analogues: Metabolic and Apoptotic Activity.

ChemistryOpen 2020 May 24;9(5):519-528. Epub 2020 Mar 24.

Department of Chemistry University of Pavia Viale Taramelli 12 27100 - Pavia Italy.

Two new families of -nucleoside analogues containing the anthracene moiety introduced through the nitrosocarbonyl ene reaction with allylic alcohols were prepared. The core structure is an isoxazolidine heterocycle that introduces either atom either a phenyl ring or dimethyl moiety at the C3 carbon. Different heterobases were inserted at the position 5 of the heterocyclic ring. Read More

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http://dx.doi.org/10.1002/open.202000034DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7197084PMC

Liquid-Phase Quasi-Epitaxial Growth of Highly Stable, Monolithic UiO-66-NH MOF thin Films on Solid Substrates.

ChemistryOpen 2020 May 6;9(5):515-518. Epub 2020 Feb 6.

Institute of Functional Interfaces (IFG) Karlsruhe Institute of Technology (KIT) Hermann-von-Helmholtz-Platz 1 76344 Eggenstein-Leopoldshafen Germany.

High quality, monolithic UiO-66-NH thin films on diverse solid substrates have been prepared via a low temperature liquid phase epitaxy method. The achievement of continuous films with low defect densities and great stability against high temperatures and hot water is proven, clearly outperforming other reported types of MOF thin films. Read More

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http://dx.doi.org/10.1002/open.201900324DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7197087PMC

Liquid-Phase Quasi-Epitaxial Growth of Highly Stable, Monolithic UiO-66-NH MOF thin Films on Solid Substrates.

ChemistryOpen 2020 May 4;9(5):514. Epub 2020 May 4.

Institute of Functional Interfaces (IFG) Karlsruhe Institute of Technology (KIT) Hermann-von-Helmholtz-Platz 1 76344 Eggenstein-Leopoldshafen Germany.

Invited for this month's cover is the group of Dr. Tawheed Hashem from the Karlsruhe Institute of Technology. The cover picture shows a successful synthesis of high quality, monolithic UiO-66-NH MOF thin films on diverse solid substrates via a low-temperature liquid phase epitaxy method. Read More

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http://dx.doi.org/10.1002/open.202000085DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7197083PMC

Process Optimisation Studies and Aminonitrile Substrate Evaluation of SET1, A Nitrile Hydrolyzing Bacterium.

ChemistryOpen 2020 Apr 27;9(4):512-520. Epub 2020 Apr 27.

Department of Science Waterford Institute of Technology Cork Road Waterford X91K0EK Ireland.

A comprehensive series of optimization studies including pH, solvent and temperature were completed on the nitrile hydrolyzing bacterium SET1 with the substrate 3-hydroxybutyronitrile. These identified temperature of 25 °C and pH of 7 as the best conditions to retain enantioselectivity and activity. The effect of the addition of organic solvents to the biotransformation mixture was also determined. Read More

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http://dx.doi.org/10.1002/open.202000088DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7184877PMC

Supramolecular Assembly of Thiophene-Based Oligomers into Nanostructured Fluorescent Conductive and Chiral Microfibers.

ChemistryOpen 2020 Apr 22;9(4):499-511. Epub 2020 Apr 22.

Istituto per la sintesi organica e fotoreattività (ISOF) Consiglio Nazionale delle Ricerche Via Piero Gobetti, 101 40129 Bologna Italy.

The implementation of nano/microelectronic devices requires efficient strategies for the realization of supramolecular structures with desired function and supported on appropriate substrates. This article illustrates a strategy based on the synthesis of thiophene oligomers having the same "sulfur-overrich" quaterthiophene inner core (non bonding interactional algorithm) and different terminal groups. Nano/microfibers are formed on surfaces having a morphology independent of the nature of the deposition substrate and displaying a wide tuning of properties that make the fibers optoelectronically suitable for application in devices. Read More

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http://dx.doi.org/10.1002/open.201900347DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7175019PMC

From Interaction to Function in DNA-Templated Supramolecular Self-Assemblies.

ChemistryOpen 2020 Apr 22;9(4):480-498. Epub 2020 Apr 22.

IBMM Université de Montpellier, CNRS, ENSCM Montpellier France.

DNA-templated self-assembly represents a rich and growing subset of supramolecular chemistry where functional self-assemblies are programmed in a versatile manner using nucleic acids as readily-available and readily-tunable templates. In this review, we summarize the different DNA recognition modes and the basic supramolecular interactions at play in this context. We discuss the recent results that report the DNA-templated self-assembly of small molecules into complex yet precise nanoarrays, going from 1D to 3D architectures. Read More

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http://dx.doi.org/10.1002/open.202000013DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7175023PMC

Polymerization Effects on the Decomposition of a Pyrazolo-Triazine at high Temperatures and Pressures.

ChemistryOpen 2020 Apr 14;9(4):470-479. Epub 2020 Apr 14.

State Key Laboratory of Explosion Science and Technology Beijing Institute of Technology No.5 Yard, Zhong Guan Cun South Street, Haidian District Beijing China.

4-amino-3-aminopyrazole-8-trinitropyrazolo-[5, 1-c] [1, 2, 4]triazine (PTX, CHNO) has good detonation performance, thermal stability and low mechanical sensitivity, which endow it with good development prospects in insensitive ammunition applications. To study the effects of polymerization on the decomposition of PTX, the reaction processes of PTX at different conditions were simulated by quantum chemistry and molecular dynamics methods. In this paper, the effects of polymerization on the decomposition of PTX were studied in terms of species information, reaction path of PTX, bond formation and bond cleavage, evolution of small molecules and clusters, and kinetic parameters at different stages. Read More

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http://dx.doi.org/10.1002/open.202000006DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7155779PMC

Mechanisms of Carbon Sequestration in Highly Organic Ecosystems - Importance of Chemical Ecology.

ChemistryOpen 2020 Apr 14;9(4):464-469. Epub 2020 Apr 14.

Plant Interactions Ecophysiology Group, Department of Biology University of Konstanz Universitätsstrasse 10 78457 Konstanz Germany.

Organic matter decomposition plays a major role in the cycling of carbon (C) and nutrients in terrestrial ecosystems across the globe. Climate change accelerates the decomposition rate to potentially increase the release of greenhouse gases and further enhance global warming in the future. However, fractions of organic matter vary in turnover times and parts are stabilized in soils for longer time periods (C sequestration). Read More

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http://dx.doi.org/10.1002/open.202000015DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7155778PMC

SilverSil: A New Class of Antibacterial Materials of Broad Scope.

ChemistryOpen 2020 Apr 9;9(4):459-463. Epub 2020 Apr 9.

Istituto per lo Studio dei Materiali Nanostrutturati, CNR via U. La Malfa 153 90146 Palermo Italy.

Consisting of organically modified silica (ORMOSIL) physically doped with Ag nanoparticles, the SilverSil new class of antibacterial materials of broad scope reported herein shows remarkably high and stable activity against representative Gram-positive and Gram-negative bacteria. The low cost, ease of application and excellent health and environmental profile of SilverSil hybrid glassy coatings open the route to their widespread utilization across domestic, hospital, school, industrial and commercial environments and in consumer products. Read More

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http://dx.doi.org/10.1002/open.202000016DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7143115PMC

Preparation of Injectable Composite Hydrogels by Blending Poloxamers with Calcium Carbonate-Crosslinked Sodium Alginate.

ChemistryOpen 2020 Apr 6;9(4):451-458. Epub 2020 Apr 6.

School of Chemical Engineering Northwest University Xi'an 710069, Shaanxi China.

The effects of calcium carbonate-crosslinked sodium alginate on poloxamer hydrogels have been investigated. The mechanical strength, degradability, and thermal stability of hydrogels were characterized. The chemical and physical crosslinking in the composite hydrogels has resulted in an improvement of the compressive strength and elasticity of the hydrogels. Read More

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http://dx.doi.org/10.1002/open.202000040DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7136648PMC

The Origin of the σ-Hole in Halogen Atoms: a Valence Bond Perspective.

ChemistryOpen 2020 Apr 6;9(4):445-450. Epub 2020 Apr 6.

Department of Chemistry Università degli Studi di Milano and INSTM RU via Golgi 19 20133 Milano Italy.

A detailed Valence Bond-Spin Coupled analysis of a series of halogenated molecules is here reported, allowing to get a rigorous ab initio demonstration of the qualitative models previously proposed to explain the origin of halogen bonding. The concepts of σ-hole and negative belt observed around the halogen atoms in the electrostatic potential maps are here interpreted by analysis of the relevant Spin Coupled orbitals. Read More

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http://dx.doi.org/10.1002/open.202000062DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7136650PMC

Expedient Synthesis of Lupulones and Their Derivatization to 2,8-7-Dihydrochromen-7-ones.

ChemistryOpen 2020 Apr 6;9(4):442-444. Epub 2020 Apr 6.

Department of Green Chemistry and Technology Faculty of Bioscience Engineering Ghent University Coupure Links 653 9000 Ghent Belgium.

A convenient and improved method for the synthesis of beta acids or lupulones, which are known to possess . anti-cancer, anti-inflammatory, anti-oxidative and antimicrobial activity, has been developed successfully. Further derivatization of these complex structures to the corresponding dihydrochromen-7-ones, including the natural product machuone, was realized to simplify their analysis and to confirm their molecular structure. Read More

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http://dx.doi.org/10.1002/open.202000008DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7136647PMC

Investigation of Parameters that Affect Resin Swelling in Green Solvents.

ChemistryOpen 2020 Apr 3;9(4):431-441. Epub 2020 Apr 3.

Department of Chemistry University of York York UK YO10 5DD.

The influence of various physical and chemical factors on the swelling of polystyrene and PEG based resins in greener organic solvents has been systematically investigated. In general, chemical factors: the nature of the functionality/linker and the degree of loading were found to have a far larger influence on the swelling of the resins than physical parameters such as bead size. The results are interpreted in terms of Hansen solubility parameters for the solvents and there is evidence that some solvents interact with the polymeric core of a resin whilst others interact with the functionality. Read More

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http://dx.doi.org/10.1002/open.202000030DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7121665PMC

Functional Systems Derived from Nucleobase Self-assembly.

ChemistryOpen 2020 Apr 1;9(4):409-430. Epub 2020 Apr 1.

School of Chemistry Cardiff University Park Place Cardiff CF10 3AT UK.

Dynamic and reversible non-covalent interactions endow synthetic systems and materials with smart adaptive functions that allow them to response to diverse stimuli, interact with external agents, or repair structural defects. Inspired by the outstanding performance and selectivity of DNA in living systems, scientists are increasingly employing Watson-Crick nucleobase pairing to control the structure and properties of self-assembled materials. Two sets of complementary purine-pyrimidine pairs (guanine:cytosine and adenine:thymine(uracil)) are available that provide selective and directional H-bonding interactions, present multiple metal-coordination sites, and exhibit rich redox chemistry. Read More

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http://dx.doi.org/10.1002/open.201900363DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7110180PMC
April 2020
2.938 Impact Factor

Catalytic Activity Towards Hydrogen Evolution Dependent of the Degree of Conjugation and Absorption of Six Organic Chromophores.

ChemistryOpen 2020 Apr 1;9(4):405-408. Epub 2020 Apr 1.

Fakultät für Chemie und Mineralogie Institut für Anorganische Chemie Johannisallee 29 04103 Leipzig Germany.

Conjugated materials can, in many cases, absorb visible light because of their delocalized π electron system. Such materials have been widely used as a photoactive layers in organic photovoltaic devices and as photosensitizers in dye-sensitized solar cells. Additionally, these materials have been reported for applications in solar fuel production, working as photocatalysts for the hydrogen evolution reaction (HER). Read More

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http://dx.doi.org/10.1002/open.202000036DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7110142PMC

Ruthenium-Catalyzed Hydrogenative Degradation of End-of-Life Poly(lactide) to Produce 1,2-Propanediol as Platform Chemical.

ChemistryOpen 2020 Apr 1;9(4):401-404. Epub 2020 Apr 1.

Universität Hamburg Institut für Anorganische und Angewandte Chemie Martin-Luther-King-Platz 6 20146 Hamburg Germany.

The chemical recycling of end-of-life polymers can add some value to a future circular economy. In this regard, the hydrogenative degradation of end-of-life PLA was investigated to produce 1,2-propanediol as product, which is a useful building block in polymer chemistry. In more detail, the commercially available Ru-MACHO-BH complex was applied as catalyst to degrade end-of-life PLA efficiently to 1,2-propanediol under mild conditions. Read More

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http://dx.doi.org/10.1002/open.202000050DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7110137PMC

Diversity Oriented Preparation of Pillar[5]arene-Containing [2]Rotaxanes by a Stopper Exchange Strategy.

ChemistryOpen 2020 Apr 10;9(4):393-400. Epub 2020 Mar 10.

Laboratoire de Chimie des Matériaux Moléculaires Université de Strasbourg et CNRS (UMR 7402 LIMA), Ecole Européenne de Chimie, Polymères et Matériaux 25 rue Becquerel 67087 Strasbourg Cedex 2 France.

Rotaxane building blocks bearing 3,5-bis(trifluoromethyl) benzenesulfonate (BTBS) stoppers have been efficiently prepared from a pillar[5]arene derivative, 3,5-bis(trifluoromethyl) benzenesulfonyl chloride (BTBSCl) and different diols, namely 1,10-decanediol and 1,12-dodecanediol. The BTBS moieties of these compounds are good leaving groups and stopper exchange reactions could be achieved by treatment with different nucleophiles thus affording rotaxanes with ester, thioether or ether stoppers. Read More

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http://dx.doi.org/10.1002/open.202000035DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7110104PMC

Control of Energy Transfer Between Pyrene- and Perylene-Nucleosides by the Sequence of DNA-Templated Supramolecular Assemblies.

ChemistryOpen 2020 Apr 6;9(4):389-392. Epub 2020 Feb 6.

Institute of Organic Chemistry Karlsruhe Institute of Technology (KIT) Fritz-Haber-Weg 6 76131 Karlsruhe Germany.

DNA was used as supramolecular scaffold to order chromophores and control their optical properties. Ethynylpyrene as energy donor was attached to 2'-desoxy-2-aminoadenosine that binds selectively to thymidines (T) in the template. Ethynylperylene as acceptor was attached to 2'-desoxyuridine that is complementary to 2'-desoxyadenosine (A). Read More

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http://dx.doi.org/10.1002/open.201900346DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7110160PMC

Diversity Oriented Preparation of Pillar[5]arene-Containing [2]Rotaxanes by a Stopper Exchange Strategy.

ChemistryOpen 2020 Apr 1;9(4):388. Epub 2020 Apr 1.

Laboratoire de Chimie des Matériaux Moléculaires Université de Strasbourg et CNRS (UMR 7402 LIMA), Ecole Européenne de Chimie, Polymères et Matériaux 25 rue Becquerel 67087 Strasbourg Cedex 2 France.

Invited for this month's cover are Iwona and Jean-François Nierengarten from the University of Strasbourg. The cover picture shows the structure of a [2]rotaxane building block bearing 3,5-bis(trifluoromethyl) benzenesulfonate (BTBS) stoppers. The BTBS moieties of this compound are good leaving groups allowing to perform stopper exchange by treatment with different nucleophiles to afford the corresponding rotaxanes with ester, ether or thioether stoppers. Read More

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http://dx.doi.org/10.1002/open.202000063DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7110163PMC

Interfacial Synthesis of a Monolayered Fluorescent Two-Dimensional Polymer through Dynamic Imine Chemistry.

ChemistryOpen 2020 Mar 24;9(3):381-385. Epub 2020 Mar 24.

College of Polymer Science and Engineering Qingdao University of Science and Technology Qingdao 266042 China.

A fluorescent monolayered two-dimensional polymer (2DP) containing both tetraphenylethylene (TPE) and imine linkages is synthesized at air-water interface using the Langmuir-Blodgett method. We designed TPE-based monomers with long distances between the TPE and the imine linkages to avoid the charge transfer and therefore keep the fluorescence. A monolayered 2DP provided with more than 104 μm in domain size and around 0. Read More

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http://dx.doi.org/10.1002/open.202000041DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7092776PMC

One-step Synthesis of End-Functionalized Hydrogenated Nitrile-Butadiene Rubber by Combining the Functional Metathesis with Hydrogenation.

ChemistryOpen 2020 Mar 23;9(3):374-380. Epub 2020 Mar 23.

School of science North University of China Jiancaoping District of Taiyuan City Shanxi Province China.

End-functionalized hydrogenated polymers obtained from nitrile-butadiene rubber (NBR) yield new materials with suitable properties for a number of applications as sealing material and adhesives. We investigated the one-step synthesis of ester end-functionalized hydrogenated nitrile-butadiene rubber (EF-HNBR) by combining the functional metathesis with the hydrogenation of NBR in the presence of the 2 generation Grubbs catalyst and a functionalized olefin as a chain transfer agent (CTA). We established the operating conditions for the effective production of saturated functional polymers with a high degree of hydrogenation, high chemo-selectivity and moderate molecular weight. Read More

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http://dx.doi.org/10.1002/open.201900369DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7087459PMC

Electrons and Hydroxyl Radicals Synergistically Boost the Catalytic Hydrogen Evolution from Ammonia Borane over Single Nickel Phosphides under Visible Light Irradiation.

ChemistryOpen 2020 Mar 20;9(3):366-373. Epub 2020 Mar 20.

Inner Mongolia Key Laboratory of Coal Chemistry School of Chemistry and Chemical Engineering Inner Mongolia University Hohhot 010021, Inner Mongolia China.

From the perspective of tailoring the reaction pathways of photogenerated charge carriers and intermediates to remarkably enhance the solar-to-hydrogen energy conversion efficiency, we synthesized the three low-cost semiconducting nickel phosphides NiP, NiP and NiP, which singly catalyzed the hydrogen evolution from ammonia borane (NHBH) in the alkaline aqueous solution under visible light irradiation at 298 K. The systematic investigations showed that all the catalysts had higher activities under visible light irradiation than in the dark and NiP had the highest photocatalytic activity with the initial turnover frequency (TOF) value of 82.7 min, which exceeded the values of reported metal phosphides at 298 K. Read More

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http://dx.doi.org/10.1002/open.201900335DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7083169PMC
March 2020
2.938 Impact Factor

Structure-Based Design and Synthesis of Piperidinol-Containing Molecules as New Inhibitors.

ChemistryOpen 2020 Mar 20;9(3):351-365. Epub 2020 Mar 20.

Univ. Lille, CNRS UMR 8576 - UGSF - Unité de Glycobiologie Structurale et Fonctionnelle 59000 Lille France.

Non-tuberculous mycobacterium (NTM) infections, such as those caused by , are increasing globally. Due to their intrinsic drug resistance, pulmonary infections are often difficult to cure using standard chemotherapy. We previously demonstrated that a piperidinol derivative, named PIPD1, is an efficient molecule both against and , the agent of tuberculosis, by targeting the mycolic acid transporter MmpL3. Read More

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http://dx.doi.org/10.1002/open.202000042DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7083170PMC

Impact of NDI-Core Substitution on the pH-Responsive Nature of Peptide-Tethered Luminescent Supramolecular Polymers.

ChemistryOpen 2020 Mar 18;9(3):346-350. Epub 2020 Mar 18.

New Chemistry Unit School of Advanced Materials (SAMAt) Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR) Jakkur Bangalore 560064 India.

The pH-responsive nature of two self-assembled NDI-peptide amphiphile conjugates is reported. The diethoxy substituted NDI showed a pH-dependent assembly behaviour, as expected. In contrast, the isopropylamino- and ethoxy-substituted NDI based supramolecular polymer was stable at acidic and basic aqueous conditions. Read More

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http://dx.doi.org/10.1002/open.202000017DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7080532PMC

Molecular Recognition by Zn(II)-Capped Dynamic Foldamers.

ChemistryOpen 2020 Mar 18;9(3):338-345. Epub 2020 Mar 18.

Department of Chemistry University of Manchester Oxford Road Manchester M13 9PL UK.

Two α-aminoisobutyric acid (Aib) foldamers bearing Zn(II)-chelating N-termini have been synthesized and compared with a reported Aib foldamer that has a bis(quinolinyl)/mono(pyridyl) cap (BQPA group). Replacement of the quinolinyl arms of the BQPA-capped foldamer with pyridyl gave a BPPA-capped foldamer, then further replacement of the linking pyridyl with a 1,2,3-triazole gave a BPTA-capped foldamer. Their ability to relay chiral information from carboxylate bound to Zn(II) at the N-terminus to a glycinamide-based NMR reporter of conformational preference at the C-terminus was measured. Read More

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http://dx.doi.org/10.1002/open.201900362DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7080544PMC

Synthesis, Evaluation and Proposed Binding Pose of Substituted Spiro-Oxindole Dihydroquinazolinones as IRAP Inhibitors.

ChemistryOpen 2020 Mar 2;9(3):325-337. Epub 2020 Mar 2.

Department of Medicinal Chemistry Uppsala University SE-751 23 Uppsala SWEDEN.

Insulin-regulated aminopeptidase (IRAP) is a new potential macromolecular target for drugs aimed for treatment of cognitive disorders. Inhibition of IRAP by angiotensin IV (Ang IV) improves the memory and learning in rats. The majority of the known IRAP inhibitors are peptidic in character and suffer from poor pharmacokinetic properties. Read More

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http://dx.doi.org/10.1002/open.201900344DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7050655PMC