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Characterization of the Thermodynamic Stability of Solvated Metal–Organic Framework Polymorphs Using Molecular Simulations

Jason A. Gee、David S. Sholl2013-09-17The Journal of Physical Chemistry C

Understanding the factors that govern the thermodynamic stability of metal–organic frameworks (MOFs) is critical to the development of these materials. In this work we present the first theoretical investigation of the stability of MOF polymorphs under solvothermal conditions. We combine thermodynamic integration (TI)…

Metal-Organic Frameworks: Synthesis and ApplicationsMachine Learning in Materials ScienceX-ray Diffraction in Crystallography

Nitroxide mediated polymerization of methacrylates at moderate temperature

Christophe Detrembleur、Christine Jérôme、Julien De Winter 等 7 位作者2013-09-17Polymer Chemistry

In this communication we report the first homopolymerization of a variety of methacrylates by an NMP process at moderate temperature (40–50 °C), using an easily accessible and inexpensive nitroxide precursor. The combination of a low temperature azo-initiator with a hindered nitroso-compound produces a mixture of hind…

Advanced Polymer Synthesis and CharacterizationPolymer composites and self-healingPhotopolymerization techniques and applications

Urinary KIM-1, IL-18 and Cys-c as early predictive biomarkers in gadolinium-based contrast-induced nephropathy in the elderly patients

Shao-Bin Duan、Gai-Ling Liu、Zhen-Qiu Yu 等 4 位作者2013-09-17Clinical Nephrology

BACKGROUND/AIMS: This study was designed to investigate whether urinary kidney injury molecule-1 (KIM-1), interleukin-18 (IL-18) and cystatin C (Cys-C) are early predictive biomarkers for gadolinium-based contrast-induced nephropathy (Gd-CIN) in the elderly patients undergoing gadolinium-enhanced magnetic resonance im…

Chronic Kidney Disease and DiabetesAcute Kidney Injury ResearchLanthanide and Transition Metal Complexes

Chiral and achiral imidazole-linked tetrahedral zinc phosphonate frameworks with photoluminescent properties

Xiuling Zhang、Kai Cheng、Fei Wang 等 4 位作者2013-09-17Dalton Transactions

Presented here are three imidazole-linked tetrahedral zinc phosphonate frameworks based on a special ligand 2-(1-imidazole)-1-hydroxyl-1,1'-ethylidenediphosphonic acid (= ImhedpH4) with both an organic imidazole linker and inorganic phosphonate groups. Three new compounds, namely, [Zn2(ImhedpH2)2(ox)](H2ppz) (1), Zn3(…

Metal-Organic Frameworks: Synthesis and ApplicationsCovalent Organic Framework ApplicationsChemical Synthesis and Characterization

Colloidal Size Effect and Metal‐Particle Migration in M@MOF/PCP Catalysis

Justus Hermannsdörfer、Martin Friedrich、Rhett Kempe2013-09-17Chemistry - A European Journal

Metal-organic framework catalysis: MIL-101 crystallites have been synthesized in different sizes and infiltrated with the Pd precursor complex [Pd(C5 H5 )(C3 H5 )]. Reduction of the Pd precursor complex gave rise to Pd nanoparticles inside the cavities of MIL-101 crystallites. Catalytic studies showed a clear dependen…

Metal-Organic Frameworks: Synthesis and ApplicationsCatalytic Processes in Materials ScienceAdvanced Nanomaterials in Catalysis

Triterpene Glycosides from the Leaves of Pittosporum angustifolium

Christian Bäcker、Kristina Jenett‐Siems、Karsten Siems 等 8 位作者2013-09-17Planta Medica

Phytochemical investigation of the leaves of Pittosporum angustifolium resulted in the isolation and structural elucidation of nine new triterpene saponins, named pittangretosides A-I (1-9), together with a known compound (10). Mainly by NMR and HRESIMS experiments, eight compounds were identified as A1-barrigenol gly…

Natural product bioactivities and synthesisPhytochemical Studies and BioactivitiesPhytochemistry and Bioactive Compounds

Template-Free Synthesis of a Porous Organic–inorganic Hybrid Tin(IV) Phosphonate and Its High Catalytic Activity for Esterification of Free Fatty Acids

Arghya Dutta、Astam K. Patra、Hiroshi Uyama 等 4 位作者2013-09-17ACS Applied Materials & Interfaces

Here we have synthesized an organic-inorganic hybrid mesoporous tin phosphonate monolith (MLSnP-1) with crystalline pore walls by a template-free sol-gel route. N2 sorption analysis shows Brunauer-Emmett-Teller (BET) surface area of 347 m2 g(-1). Wide-angle powder X-ray diffraction (PXRD) pattern shows few broad diffr…

Metal-Organic Frameworks: Synthesis and ApplicationsPolyoxometalates: Synthesis and ApplicationsChemical Synthesis and Reactions

A Randomized Steady-State Bioavailability Study of Synthetic versus Natural (Kiwifruit-Derived) Vitamin C

Anitra C. Carr、Stephanie M. Bozonet、Juliet Pullar 等 5 位作者2013-09-17Nutrients

Whether vitamin C from wholefoods has equivalent bioavailability to a purified supplement remains unclear. We have previously showed that kiwifruit provided significantly higher serum and tissue ascorbate levels than synthetic vitamin C in a genetically vitamin C-deficient mouse model, suggesting a synergistic activit…

Nanoparticles: synthesis and applicationsVitamin C and Antioxidants Research

Nickel Oxide Grafted Andic Soil for Efficient Cesium Removal from Aqueous Solution: Adsorption Behavior and Mechanisms

Dahu Ding、Zhongfang Lei、Yingnan Yang 等 5 位作者2013-09-17ACS Applied Materials & Interfaces

An andic soil, akadama clay, was modified with nickel oxide and tested for its potential application in the removal of cesium from aqueous solution. Scanning electron microscope (SEM), energy dispersive X-ray spectroscopy (EDS), and powder X-ray diffraction (XRD) results revealed the nickel oxide was successfully graf…

Radioactive element chemistry and processingNuclear materials and radiation effectsChemical Synthesis and Characterization

Continuous flow photocyclization of stilbenes – scalable synthesis of functionalized phenanthrenes and helicenes

Quentin Lefebvre、Marc Jentsch、Magnus Rueping2013-09-17Beilstein Journal of Organic Chemistry

A continuous flow oxidative photocyclization of stilbene derivatives has been developed which allows the scalable synthesis of backbone functionalized phenanthrenes and helicenes of various sizes in good yields.

Synthesis and Properties of Aromatic CompoundsPhotochromic and Fluorescence ChemistryAxial and Atropisomeric Chirality Synthesis

Synthesis and Transistor Properties of Asymmetric Oligothiophenes: Relationship between Molecular Structure and Device Performance

Tae Kyu An、Sang Hun Jang、Seul‐Ong Kim 等 15 位作者2013-09-17Chemistry - A European Journal

A series of three thiophene-naphthalene-based asymmetric oligomers-5-decyl-2,2':5',2'':5'',2'''-quaterthiophene (DtT), 5-decyl-5''-(naphthalen-2-yl)-2,2':5',2''-terthiophene (D3TN), and 5-(4-decylphenyl)-5'-(naphthalen-2-yl)-2,2'-bithiophene (DP2TN)-was synthesized by Suzuki cross-coupling reactions. The long alkyl si…

Organic Electronics and PhotovoltaicsPerovskite Materials and ApplicationsConducting polymers and applications

Dynamical and Rheological Properties of Ultrasoft Colloids under Shear Flow

Sunil P. Singh、A. C. Chatterji、Gerhard Gompper 等 4 位作者2013-09-17Macromolecules

The dynamical and rheological properties of ultrasoft colloids and star polymers are investigated in dilute and semidilute solutions under linear shear flow. We apply a hybrid mesoscale hydrodynamics simulation approach, which combines molecular dynamics simulations for the solute with the multiparticle collision dyna…

Material Dynamics and PropertiesRheology and Fluid Dynamics StudiesBlood properties and coagulation

First principles investigation of the structure and electronic properties of Cu2Te

Yinggan Zhang、Baisheng Sa、Jian Zhou 等 4 位作者2013-09-17Computational Materials Science

By means of ab initio random structure search, we have revealed the crystal structure of Cu2Te, which is in agreement with the experimentally proposed Nowotny’s model. We have then performed extensive calculations based on density functional theories (DFT) on this Cu2Te structure. We have shown that the strong on-site…

Graphene research and applications2D Materials and ApplicationsTopological Materials and Phenomena

Urinary Bladder Matrix for the Treatment of Recalcitrant Nonhealing Radiation Wounds

Elizabeth Rommer、Mirna Peric、Alex K. Wong2013-09-17Advances in Skin & Wound Care

Chronic wounds in previously radiated tissue are challenging to treat. In this article, the authors describe 3 such wounds that failed to heal despite multiple treatments with traditional wound healing methods. Treatment with porcine urinary bladder matrix, an extracellular matrix material, was initiated to facilitate…

Electrospun Nanofibers in Biomedical ApplicationsUrological Disorders and TreatmentsTissue Engineering and Regenerative Medicine

Extracellular Signal-Regulated Kinase (ERK) Activity During Sleep Consolidates Cortical Plasticity In Vivo

Michelle Dumoulin、Sara J. Aton、Adam Watson 等 6 位作者2013-09-17Cerebral Cortex

Ocular dominance plasticity (ODP) in the cat primary visual cortex (V1) is induced during waking by monocular deprivation (MD) and consolidated during subsequent sleep. The mechanisms underlying this process are incompletely understood. Extracellular signal-regulated kinase (ERK) is activated in V1 during sleep after…

Neuroscience and Neuropharmacology ResearchRetinal Development and DisordersPhotochromic and Fluorescence Chemistry

Engineering the smallest 3D symmetrical bright and dark focal spots

Svetlana N. Khonina、Ilya Golub2013-09-17Journal of the Optical Society of America A

A simple roadmap is established for the construction of the smallest three-dimensional (3D) isotropic focal spots. It is achieved in a 4Pi configuration by imposing a restriction/condition of equal transverse and longitudinal spot sizes to determine the position of an annular aperture and then optimize its size. The c…

Metamaterials and Metasurfaces ApplicationsOrbital Angular Momentum in OpticsNear-Field Optical Microscopy

Strong anti-ice ability of nanohairs over micro-ratchet structures

Peng Guo、Mengxi Wen、Lei Wang 等 4 位作者2013-09-17Nanoscale

A strong anti-ice property of nanohairs over micro-ratchet surfaces is observed. A long freezing delay of more than 185 min is achieved for a droplet on the nanohairs over ratchet structure with a period of ∼290 μm under -10 °C, which is attributed to the effective cooperation of the nano- and microstructures.

Surface Modification and SuperhydrophobicityThermal Radiation and Cooling TechnologiesIcing and De-icing Technologies

Gadolinium(III) Spin Labels for High‐Sensitivity Distance Measurements in Transmembrane Helices

Erez Matalon、Thomas Huber、Gregor Hagelueken 等 8 位作者2013-09-17Angewandte Chemie International Edition

High-frequency double electron-electron resonance (DEER) distance measurements using different Gd3+ tags (Gd-DOTA and Gd-C1) were carried out on transmembrane helical peptides (ca. 0.15 nmol; WALP peptides) in a model membrane. The ability to pick up small distance variations, the chemical flexibility of the tags, and…

Lanthanide and Transition Metal ComplexesAdvanced NMR Techniques and ApplicationsElectron Spin Resonance Studies

1,2,5,6-Naphthalenediimide Based Donor–Acceptor Copolymers Designed from Isomer Chemistry for Organic Semiconducting Materials

Zheng Zhao、Fengjiao Zhang、Xu Zhang 等 8 位作者2013-09-17Macromolecules

Two new donor–acceptor (D–A) copolymers based on 1,2,5,6-naphthalenediimides (iso-NDI) and thiophene units, iso-P(NDI2OD-T2) and iso-P(NDI2OD-TT), were designed from isomer chemistry and compared with the reported isomeric copolymers P(NDI2OD-T2) and P(NDI2DT-TT) to investigate the influence of isomeric structure on t…

Organic Electronics and PhotovoltaicsOrganic Light-Emitting Diodes ResearchConducting polymers and applications

Engineered Antifouling Microtopographies: An Energetic Model That Predicts Cell Attachment

Joseph T. Decker、Chelsea M. Magin、Christopher J. Long 等 7 位作者2013-09-17Langmuir

We have developed a model for the prediction of cell attachment to engineered microtopographies based on two previous models: the attachment point theory and the engineered roughness index (ERI) model. The new surface energetic attachment (SEA) model is based on both the properties of the cell-material interface and t…

Microplastics and Plastic PollutionPolymer Surface Interaction StudiesMarine Biology and Environmental Chemistry