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inorganic chemistry

Sarah Lopez, Laurianne Rondot, Chloé Leprêtre, Caroline Marchi-Delapierre, Stéphane Ménage, Christine Cavazza
Designing systems that merge the advantages of heterogeneous catalysis, enzymology and molecular catalysis represents the next major goal for sustainable chemistry. Cross-linked enzyme crystals display most of these essential assets (well-designed mesoporous support, protein selectivity, molecular recognition of substrates). Nevertheless, a lack of reaction diversity, particularly in the field of oxidation, remains a constraint for their increased use in the field. Here, thanks to the design of cross-linked artificial non-heme iron oxygenase crystals, we filled this gap by developing bio-based heterogeneous catalysts capable of oxidizing carbon-carbon double bonds...
November 17, 2017: Journal of the American Chemical Society
Sara Pourshahrestani, Nahrizul Adib Bin Kadri, Ehsan Zeimaran, Nicola Gargiulo, Shani Samuel, Sangeetha Vasudevaraj Naveen, Khairunnisa Hasikin, Tunku Kamarul, Mark R Towler
Mesoporous bioactive glass containing 1% Ga2O3 (1%Ga-MBG) is attractive for hemorrhage control because of its surface chemistry which can promote blood-clotting. The present study compares this proprietary inorganic coagulation accelerator with two commercial hemostats, CeloxTM (CX) and QuikClot Advanced Clotting Sponge PlusTM (ACS+). The results indicate that the number of adherent platelets were higher on the 1%Ga-MBG and CX surfaces than ACS+ whereas a greater contact activation was seen on 1%Ga-MBG and ACS+ surfaces than CX...
November 17, 2017: Biomedical Materials
Takehiro Nakamura, Eiko Yoshida, Tomoya Fujie, Fumihiko Ogata, Chika Yamamoto, Naohito Kawasaki, Toshiyuki Kaji
Organic-inorganic hybrid molecules, which are composed of organic-ligand(s) and metal(s), are indispensable as synthetic reagents in chemistry, but they have made very little in the way of contributions to biological research. Previously, we reported that the cytotoxicity of organic-inorganic hybrid molecules in vascular endothelial cells depends on interactions between the intramolecular metal and ligand, but remains independent of the hydrophobicity of the intramolecular metal(s). Herein, we show a synergistic cytotoxicity produced by forming a complex of copper and 2,9-dimethyl-1,10-phenanthroline in vascular endothelial cells that depends on the intracellular accumulation of copper...
2017: Journal of Toxicological Sciences
Mehrnoush Mousavi Fard, Ulrich K Krieger, Thomas Peter
Mixed organic/inorganic aerosols may undergo liquid-liquid phase separation (LLPS) when relative humidity drops in the atmosphere. Phase separated particles adopt different morphologies, which will have different consequences for atmospheric chemistry and climate. Recent laboratory studies on submicron particles led to speculation whether LLPS observed for larger drops might actually be suppressed in smaller droplets. Here, we report on micron-sized droplets of a ternary mixture of ammonium sulfate (AS), carminic acid and water at different temperatures, which were exposed to typical atmospheric drying rates ranging from 0...
November 7, 2017: Journal of Physical Chemistry. A
Milica Velimirovic, Melanie Auffan, Luca Carniato, Vesna Micić Batka, Doris Schmid, Stephan Wagner, Daniel Borschneck, Olivier Proux, Frank von der Kammer, Thilo Hofmann
Milled zerovalent iron (milled ZVI) particles have been recognized as a promising agent for groundwater remediation because of (1) their high reactivity with chlorinated aliphatic hydrocarbons, organochlorine pesticides, organic dyes, and a number of inorganic contaminants, and (2) a possible greater persistance than the more extensively investigated nanoscale zerovalent iron. We have used laboratory-scale batch degradation experiments to investigate the effect that hydrogeochemical conditions have on the corrosion of milled ZVI and on its ability to degrade trichloroethene (TCE)...
October 27, 2017: Science of the Total Environment
Tifeng Wang, Shanying Tong, Nana Liu, Futian Li, Mark L Wells, Kunshan Gao
Ocean Acidification (OA) effects on marine plankton are most often considered in terms of inorganic carbon chemistry, but decreasing pH may influence other aspects of cellular metabolism. Here we present the effects of OA on the fatty acid (FA) content and composition of an artificial phytoplankton community (Phaeodactylum tricornutum, Thalassiosira weissflogii, and Emiliania huxleyi) in a fully replicated, ∼4 m(3) mesocosm study in subtropical coastal waters (Wuyuan Bay, China, 24.52°N, 117.18°E) at present day (400 μatm) and elevated (1000 μatm) pCO2 concentrations...
November 3, 2017: Marine Environmental Research
Lu Jin, Zeng-Kui Zhu, Yan-Lan Wu, Xin-Xiong Li, Yan-Jie Qi, Shou-Tian Zheng
A series of the highest-nuclearity polyoxoniobate (PONb) nanoclusters ranging from dimer, trimer, to tetramer have been obtained. They include one 114-nuclearity {Li8⊂Nb114O316}, one 81-nuclearity {Li3K⊂Nb81O225}, and one 52-nuclearity {H4Nb52O150}. The Nb nuclearity numbers of these PONbs are remarkably larger than those of all known high-nuclearity PONbs (≤ 32). Furthermore, the introduction of 3d Cu2+ ions can lead to the generation of extended inorganic-organic hybrid frameworks built from novel, high-nuclearity, nanoscale heterometallic PONb building blocks {H3Cu3Nb78O222} or {H3Cu4(en)Nb78O222}...
November 5, 2017: Angewandte Chemie
Cesare Rovera, Carlo A Cozzolino, Masoud Ghaani, Davide Morrone, Richard T Olsson, Stefano Farris
Fundamental physical behaviors of materials at the nanoscale level are crucial when local aspects govern the macroscale performance of nanocomposites, e.g., interface and surface phenomena. Because of the increasing interest in biopolymer nanocomposite coatings for many different applications (e.g., optical devices, displays/screens, and packaging), this work investigates the potential of nanoindentation as a method for clarifying the interplay between distinct phases (i.e., organic and inorganic) at local level in thin biopolymer films loaded with nanoparticles...
October 31, 2017: Journal of Colloid and Interface Science
Jon Paul Janet, Heather J Kulik
Machine learning (ML) of quantum mechanical properties shows promise for accelerating chemical discovery. For transition metal chemistry where accurate calculations are computationally costly and available training data sets are small, the molecular representation becomes a critical ingredient in ML model predictive accuracy. We introduce a series of revised autocorrelation functions (RACs) that encode relationships between the heuristic atomic properties (e.g., size, connectivity, and electronegativity) on a molecular graph...
November 2, 2017: Journal of Physical Chemistry. A
Jian Li, Junliang Sun
All crystalline materials in nature, whether inorganic, organic, or biological, macroscopic or microscopic, have their own chemical and physical properties, which strongly depend on their atomic structures. Therefore, structure determination is extremely important in chemistry, physics, materials science, etc. In the past centuries, many techniques have been developed for structure determination. The most widely used one is X-ray crystallography (single-crystal X-ray diffraction (SCXRD) and powder X-ray diffraction (PXRD)), and it remains the most important technique for structure determination of crystalline materials...
November 1, 2017: Accounts of Chemical Research
Nancy Peña, Assumpció Antón, Andreas Kamilaris, Peter Fantke
Application of plant protection products (PPP) is a fundamental practice for viticulture. Life Cycle Assessment (LCA) has proved to be a useful tool to assess the environmental performance of agricultural production, where including toxicity-related impacts for PPP use is still associated with methodological limitations, especially for inorganic (i.e. metal-based) pesticides. Downy mildew is one of the most severe diseases for vineyard production. For disease control, copper-based fungicides are the most effective and used PPP in both conventional and organic viticulture...
October 28, 2017: Science of the Total Environment
Chris Guhrenz, Vladimir Sayevich, Florian Weigert, Eileen Hollinger, Annett Reichhelm, Ute Resch-Genger, Nikolai Gaponik, Alexander Eychmüller
We report on a novel and simple approach to surface ligand design of CdSe-based nanocrystals (NCs) with biocompatible, heterobifunctional polyethylene glycol (PEG) molecules. This method provides high transfer yields of the NCs into aqueous media with preservation of the narrow and symmetric emission bands of the initial organic-capped NCs regardless of their interior crystal structure and surface chemistry. The PEG-functionalized NCs show small sizes, high photoluminescence quantum yields of up to 75%, as well as impressive optical and colloidal stability...
November 2, 2017: Journal of Physical Chemistry Letters
Zejun Li, Yingcheng Zhao, Kejun Mu, Huan Shan, Yuqiao Guo, Jiajing Wu, Yueqi Su, Qiran Wu, Zhe Sun, Aidi Zhao, Xuefeng Cui, Changzheng Wu, Yi Xie
Superconductivity is mutually exclusive with ferromagnetism, because the ferromagnetic exchange field is often destructive to superconducting pairing correlation. Well-designed chemical and physical methods have been devoted to realize their coexistence only by structural integrity of inherent superconducting and ferromagnetic ingredients. However, such coexistence in freestanding structure with nonsuperconducting and nonferromagnetic components still remains a great challenge up to now. Here, we demonstrate a molecule-confined engineering in two-dimensional organic-inorganic superlattice using a chemical building-block approach, successfully realizing first freestanding coexistence of superconductivity and ferromagnetism originated from electronic interactions of nonsuperconducting and nonferromagnetic building blocks...
November 15, 2017: Journal of the American Chemical Society
Claire L Ross, James L Falter, Malcolm T McCulloch
Coral calcification is dependent on both the supply of dissolved inorganic carbon (DIC) and the up-regulation of pH in the calcifying fluid (cf). Using geochemical proxies (δ(11)B, B/Ca, Sr/Ca, Li/Mg), we show seasonal changes in the pHcf and DICcf for Acropora yongei and Pocillopora damicornis growing in-situ at Rottnest Island (32°S) in Western Australia. Changes in pHcf range from 8.38 in summer to 8.60 in winter, while DICcf is 25 to 30% higher during summer compared to winter (×1.5 to ×2 seawater)...
October 23, 2017: Scientific Reports
Purna K Boruah, Sabine Szunerits, Rabah Boukherroub, Manash R Das
Reduced graphene oxide nanosheets decorated with Fe3O4 and V2O5 nanoparticles as a magnetically recoverable nanocomposite (Fe3O4@V2O5/rGO) was synthesized by a simple solution chemistry approach. The synthesized nanocomposite was characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), vibrating sample magnetometer (VSM), Fourier transform infrared (FTIR), fluorescence, and zeta potential measurements. The narrow band gap and different band gap energies of Fe3O4 and V2O5 proved to be suitable for the absorption of visible light in the solar spectrum...
October 13, 2017: Chemosphere
M Kovalainen, R Kamakura, J Riikonen, M Finnilä, T Nissinen, J Rantanen, M Niemelä, P Perämäki, M Mäkinen, K H Herzig, V P Lehto
Despite extensive efforts to develop delivery systems for oral administration, subcutaneous (s.c.) injection remains the most common way to administer peptide drugs. To limit the number of frequent injections, sustained release systems that are easy to produce, suitable for various drugs, safe and biodegradable are urgently needed. Porous silicon (PSi) has been recognized to be one of the most promising materials for s.c. peptide delivery, but its biodegradation in s.c. tissue has not been studied in vivo, despite extensive in vitro research...
October 19, 2017: European Journal of Pharmaceutics and Biopharmaceutics
Mi-Hee Lee, Heon-Jae Jung, Sung-Han Kim, Sung-Uk An, Jung Hyun Choi, Hyo-Jin Lee, In-Ae Huh, Jin Hur
Due to recent weir construction on four major rivers in South Korea, sediment has accumulated in the river bottom near the weirs, which has in turn raised concerns over the quality of overlying water. In this study, the seasonal and spatial variations of sediment oxygen demand (SOD) and the influencing factors were explored using pore water chemistry for the weir-impounded rivers. Muddy and sandy sediment samples were taken from 24 different sites along the four major rivers in summer and autumn, 2016. The SOD was measured in a laboratory based on 10-hour incubation at in situ temperature...
October 18, 2017: Science of the Total Environment
Daniel Prochowicz, Arkadiusz Kornowicz, Janusz Lewiński
Readily available cyclodextrins (CDs) with an inherent hydrophobic internal cavity and hydrophilic external surface are macrocyclic entities that display a combination of molecular recognition and complexation properties with vital implications for host-guest supramolecular chemistry. While the host-guest chemistry of CDs has been widely recognized and led to their exploitation in a variety of important functions over the last five decades, these naturally occurring macrocyclic systems have emerged only recently as promising macrocyclic molecules to fabricate environmentally benign functional nanomaterials...
October 19, 2017: Chemical Reviews
Badri Narayanan, Henry Chan, Alper Kinaci, Fatih G Sen, Stephen K Gray, Maria K Y Chan, Subramanian K R S Sankaranarayanan
A fundamental understanding of the inter-relationships between structure, morphology, atomic scale dynamics, chemistry, and physical properties of mixed metallic-covalent systems is essential to design novel functional materials for applications in flexible nano-electronics, energy storage and catalysis. To achieve such knowledge, it is imperative to develop robust and computationally efficient atomistic models that describe atomic interactions accurately within a single framework. Here, we present a unified Tersoff-Brenner type bond order potential (BOP) for a Co-C system, trained against lattice parameters, cohesive energies, equation of state, and elastic constants of different crystalline phases of cobalt as well as orthorhombic Co2C derived from density functional theory (DFT) calculations...
October 18, 2017: Nanoscale
Brad A Steele, Ivan I Oleynik
Ternary CxNyOz compounds are actively researched as novel high energy density and ultrahard materials. Although some synthesis work has been performed at ambient conditions, very little is known about the high pressure chemistry of of CxNyOz compounds. In this work, first-principles variable-composition evolutionary structure prediction calculations are performed with the goal of discovering novel mixed CxNyOz materials at ambient and high pressure conditions. By systematically searching ternary variable composition crystalline materials, the full ternary phase diagram is constructed in the range of pressures from 0 to 100 GPa...
November 6, 2017: Inorganic Chemistry
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