bluuebunny/crossref_metadata_2025 huggingface dataset:
A General Method for the Chemical Synthesis of Large‐Scale, Seamless Transition Metal Dichalcogenide Electronics
Authors: Li Li , Guo Yichuan , Sun Yuping , Yang Long , Qin Liang , Guan Shouliang , Wang Jinfen , Qiu Xiaohui , Li Hongbian , Shang Yuanyuan , Fang Ying
Published: January 2018

The capability to directly build atomically thin transition metal dichalcogenide (TMD) devices by chemical synthesis offers important opportunities to achieve large‐scale electronics and optoelectronics with seamless interfaces. Here, a general approach for the chemical synthesis of a variety of TMD (e.g., MoS2, WS2, and MoSe2) device arrays over large areas is reported. During chemical vapor deposition, semiconducting TMD channels and metallic TMD/carbon nanotube (CNT) hybrid electrodes are simultaneously formed on CNT‐patterned substrate, and then coalesce into seamless devices. Chemically synthesized TMD devices exhibit attractive electrical and mechanical properties. It is demonstrated that chemically synthesized MoS2–MoS2/CNT devices have Ohmic contacts between MoS2/CNT hybrid electrodes and MoS2 channels. In addition, MoS2–MoS2/CNT devices show greatly enhanced mechanical stability and photoresponsivity compared with conventional gold‐contacted devices, which makes them suitable for flexible optoelectronics. Accordingly, a highly flexible pixel array based on chemically synthesized MoS2–MoS2/CNT photodetectors is applied for image sensing.
Nano Titanium Monoxide Crystals and Unusual Superconductivity at 11 K
Authors: Xu Jijian , Wang Dong , Yao Heliang , Bu Kejun , Pan Jie , He Jianqiao , Xu Fangfang , Hong Zhanglian , Chen Xiaobo , Huang Fuqiang
Published: January 2018

Nano TiO2 is investigated intensely due to extraordinary photoelectric performances in photocatalysis, new‐type solar cells, etc., but only very few synthesis and physical properties have been reported on nanostructured TiO or other low valent titanium‐containing oxides. Here, a core–shell nanoparticle made of TiO core covered with a ≈5 nm shell of amorphous TiO1+x is newly constructed via a controllable reduction method to synthesize nano TiO core and subsequent soft oxidation to form the shell (TiO1+x). The physical properties measurements of electrical transport and magnetism indicate these TiO@TiO1+x nanocrystals are a type‐ІІ superconductor of a recorded Tconset = 11 K in the binary Ti–O system. This unusual superconductivity could be attributed to the interfacial effect due to the nearly linear gradient of O/Ti ratio across the outer amorphous layer. This novel synthetic method and enhanced superconductivity could open up possibilities in interface superconductivity of nanostructured composites with well‐controlled interfaces.
Photoactive Blend Morphology Engineering through Systematically Tuning Aggregation in All‐Polymer Solar Cells
Authors: Wang Gang , Eastham Nicholas D. , Aldrich Thomas J. , Ma Boran , Manley Eric F. , Chen Zhihua , Chen Lin X. , de la Cruz Monica Olvera , Chang Robert P. H. , Melkonyan Ferdinand S. , Facchetti Antonio , Marks Tobin J.
Published: January 2018

Polymer aggregation plays a critical role in the miscibility of materials and the performance of all‐polymer solar cells (APSCs). However, many aspects of how polymer texturing and aggregation affect photoactive blend film microstructure and photovoltaic performance are poorly understood. Here the effects of aggregation in donor–acceptor blends are studied, in which the number‐average molecular weights (Mns) of both an amorphous donor polymer, poly[4,8‐bis(5‐(2‐ethylhexyl)thiophen‐2‐yl)benzo[1,2‐b;4,5‐b′]dithiophene‐2,6‐diyl‐alt‐(4‐(2‐ethylhexyl)‐3‐fluorothieno[3,4‐b]thiophene‐)‐2‐carboxylate‐2‐6‐diyl)] (PBDTT‐FTTE) and a semicrystalline acceptor polymer, poly{[N,N′‐bis(2‐octyldodecyl)naphthalene‐1,4,5,8‐bis(dicarboximide)‐2,6‐diyl]‐alt‐5,5′‐(2,2′‐bithiophene)} (P(NDI2OD‐T2)) are systematically varied. The photovoltaic performance is correlated with active layer microstructural and optoelectronic data acquired by in‐depth transmission electron microscopy, grazing incidence wide‐angle X‐ray scattering, thermal analysis, and optical spectroscopic measurements. Coarse‐grained modeling provides insight into the effects of polymer aggregation on the blend morphology. Notably, the computed average distance between the donor and the acceptor polymers correlates well with solar cell photovoltaic metrics such as short‐circuit current density (Jsc) and represents a useful index for understanding/predicting active layer blend material intermixing trends. Importantly, these results demonstrate that for polymers with different texturing tendencies (amorphous/semicrystalline), the key for optimal APSC performance, photovoltaic blend morphology can be controlled via both donor and acceptor polymer aggregation.
Updated Metal Compounds (MOFs, S, OH, N, C) Used as Cathode Materials for Lithium–Sulfur Batteries
Authors: Xu Jing , Lawson Tom , Fan Hongbo , Su Dawei , Wang Guoxiu
Published: January 2018

Lithium–sulfur (Li–S) batteries have the potential to be as efficient and as widespread as lithium‐ion (Li‐ion) batteries, since sulfur electrode has high theoretical capacity (1672 mA h gsul−1) and this element is affordable. However, unlike their ubiquitous lithium ion (Li‐ion) counterparts, it is difficult to realize the commercialization of Li‐S battery. Because the shuttle effect of polysulfide inevitably results in the serious capacity degradation. Tremendous progress is devoted to approach this problem from the aspect of physical confinement and chemisorption of polysulfide. Owing to weak intermolecular interactions, physical confinement strategy, however is not effective when the battery is cycled long‐term. Chemisorption of polysulfide that derived from polar–polar interaction, Lewis acid–base interaction, and sulfur‐chain catenation, are proven to significantly suppress the shuttle effect of polysulfide. It is also discovered that the metal compounds have strong chemical interactions with polysulfide. Therefore, this review focuses on latest metal–organic frameworks metal sulfides, metal hydroxides, metal nitrides, metal carbides, and discusses how the chemical interactions couple with the unique properties of these metal compounds to tackle the problem of polysulfide shuttle effect.
Synthesis of Pseudocapacitive Polymer Chain Anode and Subnanoscale Metal Oxide Cathode for Aqueous Hybrid Capacitors Enabling High Energy and Power Densities along with Long Cycle Life
Authors: Ock Il Woo , Choi Jae Won , Jeong Hyung Mo , Kang Jeung Ku
Published: January 2018

Aqueous electrochemical energy storages are of enormous attention due to their high safety and being environmentally friendly, but they must satisfy very challenging standards in energy and power densities over long repeated charging/discharging cycles. Herein, a strategy to realize high‐performance aqueous hybrid capacitors (AHCs) using pseudocapacitive negative and positive electrodes is reported. Polymer chains, which are synthesized by in situ polymerization of polyaniline on reduced graphene sheets, show fiber‐like morphologies and the redox‐reactive surface area allowing high capacitance as anode materials even at a high current density of 20 A g−1 and a high loading of ≈6 mg cm−2. Additionally, subnanoscale metal oxide particles on graphene are utilized as pseudocapacitive cathode materials and they show the approximately threefold higher capacitance than nanocrystals of ≈10 nm. Assembling these polymer chain anode and subnanoscale metal oxide cathode in full‐cell AHCs is shown to give the high energy density exceeding those of aqueous batteries along with the ≈100% capacity retention over 100 000 redox cycles. Additionally, AHCs exhibit the high power density allowing ultrafast charging, so that the switching wearable display kit with two AHCs in series can be charged within several seconds by the flexible photovoltaic module and USB switching charger.
Mechanochemical Activation of Iron Cyano Complexes: A Prebiotic Impact Scenario for the Synthesis of α‐Amino Acid Derivatives
Authors: Bolm Carsten , Mocci Rita , Schumacher Christian , Turberg Mathias , Puccetti Francesco , Hernández José G.
Published: January 2018

Mechanochemical activation of iron cyano complexes by ball milling results in the formation of HCN, which can be trapped and incorporated into α‐aminonitriles. This prebiotic impact scenario can be extended by mechanochemically transforming the resulting α‐aminonitriles into α‐amino amides using a chemical route related to early Earth conditions.
A Postprocedure Wrap‐up Tool for Improving OR Communication and Performance
Authors: Norton Rebecca , Mordas Dolores
Published: January 2018

In 2015, perioperative nursing staff members at a community hospital designed and implemented a tool to help improve communication and performance. Our postprocedure wrap‐up tool and its follow‐up process have allowed us to achieve improvements in both efficiency and staff member satisfaction. By implementing a process to document problems as they occur and quickly transmit information to the staff members who are best able to correct these issues, we greatly improved our workflow. Furthermore, by inputting information into spreadsheets using problem codes, thereby replacing anecdotal information with hard data, we targeted areas that needed improvement and used that information for budget planning, training, and allocating resources. Enlisting the input of all members of the surgical team allowed us to identify the root causes of issues that interfered with the staff members’ ability to provide efficient, safe, and reliable patient care.
Tensile properties and interfacial adhesion of silicone rubber/polyethylene blends by reactive blending
Authors: Matsuura Kana , Saito Hiromu
Published: January 2018

Two‐phase blends of silicone rubber (SR) and linear low density polyethylene (LLDPE) were prepared by reactive blending using peroxide crosslinking agent of SR. The tensile strength and elastic modulus of the SR were found to be increased by reactive blending with LLDPE without sacrifice of the elongation. The improvement of the tensile properties is attributed to the strong adhesion at the interface between SR matrix and LLDPE domain due to the chemical reaction by peroxide. The observation by polarized optical microscopies revealed that the debonding did not occur at the interface, but the LLDPE domains were elongated to longer one. Despite the elongation of the LLDPE domain, the blends exhibited good deformation recoverability. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2018,135, 46192.
Solvent Impedes CO2 Cycloaddition on Metal–Organic Frameworks
Authors: Shao Dan , Shi Jinbiao , Zhang Jianling , Tan Xiuniang , Luo Tian , Cheng Xiuyan , Zhang Bingxing , Han Buxing
Published: January 2018

The catalytic performance of metal–organic frameworks (MOFs) for the synthesis of cyclic carbonate from carbon dioxide and epoxides has been explored under solvent and solvent‐free conditions, respectively. It was found that MOF catalysts have significantly improved catalytic activities in solvent‐free CO2 cycloaddition reactions than those in solvent. The mechanism was discussed with regard to the competition of solvent with substrate to adhere MOF catalysts during the reaction process.
Pomegranate‐Structured Silica/Sulfur Composite Cathodes for High‐Performance Lithium–Sulfur Batteries
Authors: Choi Sinho , Su Dawei , Shin Myoungsoo , Park Soojin , Wang Guoxiu
Published: January 2018

Porous materials have many structural advantages for energy storage and conversion devices such as rechargeable batteries, supercapacitors, and fuel cells. When applied as a host material in lithium‐sulfur batteries, porous silica materials with a pomegranate‐like architecture can not only act as a buffer matrix for accommodating a large volume change of sulfur, but also suppress the polysulfide shuttle effect. The porous silica/sulfur composite cathodes exhibit excellent electrochemical performances including a high specific capacity of 1450 mA h g−1, a reversible capacity of 82.9 % after 100 cycles at a rate of C/2 (1 C=1672 mA g−1) and an extended cyclability over 300 cycles at 1 C‐rate. Furthermore, the high polysulfide adsorption property of porous silica has been proven by ex‐situ analyses, showing a relationship between the surface area of silica and polysulfide adsorption ability. In particular, the modified porous silica/sulfur composite cathode, which is treated by a deep‐lithiation process in the first discharge step, exhibits a highly reversible capacity of 94.5 % at 1C‐rate after 300 cycles owing to a formation of lithiated‐silica frames and stable solid‐electrolyte‐interphase layers.
Biocatalytic Synthesis of Nitriles through Dehydration of Aldoximes: The Substrate Scope of Aldoxime Dehydratases
Authors: Betke Tobias , Higuchi Jun , Rommelmann Philipp , Oike Keiko , Nomura Taiji , Kato Yasuo , Asano Yasuhisa , Gröger Harald
Published: January 2018

Nitriles, which are mostly needed and produced by the chemical industry, play a major role in various industry segments, ranging from high‐volume, low‐price sectors, such as polymers, to low‐volume, high‐price sectors, such as chiral pharma drugs. A common industrial technology for nitrile production is ammoxidation as a gas‐phase reaction at high temperature. Further popular approaches are substitution or addition reactions with hydrogen cyanide or derivatives thereof. A major drawback, however, is the very high toxicity of cyanide. Recently, as a synthetic alternative, a novel enzymatic approach towards nitriles has been developed with aldoxime dehydratases, which are capable of converting an aldoxime in one step through dehydration into nitriles. Because the aldoxime substrates are easily accessible, this route is of high interest for synthetic purposes. However, whenever a novel method is developed for organic synthesis, it raises the question of substrate scope as one of the key criteria for application as a “synthetic platform technology”. Thus, the scope of this review is to give an overview of the current state of the substrate scope of this enzymatic method for synthesizing nitriles with aldoxime dehydratases. As a recently emerging enzyme class, a range of substrates has already been studied so far, comprising nonchiral and chiral aldoximes. This enzyme class of aldoxime dehydratases shows a broad substrate tolerance and accepts aliphatic and aromatic aldoximes, as well as arylaliphatic aldoximes. Furthermore, aldoximes with a stereogenic center are also recognized and high enantioselectivities are found for 2‐arylpropylaldoximes, in particular. It is further noteworthy that the enantiopreference depends on the E and Z isomers. Thus, opposite enantiomers are accessible from the same racemic aldehyde and the same enzyme.
Nitrogen‐Doped Ta2O5 Nanocomposites for the Electrocatalytic Reduction of Carbon Dioxide to CO with Photoassistance
Authors: Zhang Miao , Hou Pengfei , Wang Zhuo , Kang Peng
Published: January 2018

Electrocatalytic reduction of CO2 to CO was achieved by using nitrogen‐doped Ta2O5, and the faradaic efficiency of CO reached 87.5 % at −0.73 V vs. RHE, whereas undoped Ta2O5 or “fully doped” Ta3N5 only yields H2. Nitrogen‐doped Ta2O5 was also a catalyst for photoassisted electrocatalytic CO2 reduction, and the total light‐to‐chemical efficiency reached 2.73 %.
Sulfur‐Linked Covalent Triazine Frameworks Doped with Coordinatively Unsaturated Cu(I) as Electrocatalysts for Oxygen Reduction
Authors: Iwase Kazuyuki , Kamiya Kazuhide , Miyayama Masaru , Hashimoto Kazuhito , Nakanishi Shuji
Published: January 2018

This work confirms a trade‐off relationship between the high redox potential of Cu and the oxygen‐binding ability of Cu‐based oxygen reduction reaction (ORR) electrocatalysts. As the ORR is mediated by Cu(I) species, a positive shift of the Cu(II/I) potential is required to increase the ORR onset potential. However, the ready simultaneous autoreduction of Cu(II) to Cu(I) in Cu complexes, owing to high redox potentials, results in the formation of a closed tetrahedral configuration that is inactive for O2 adsorption and, therefore, for the ORR. To mitigate this problem, we synthesized a Cu‐modified S‐linked covalent triazine framework (Cu−S‐CTF) as an electrocatalyst for the ORR in neutral solutions. The Cu(I) ions in this material have a distorted three‐coordinated structure with accessible coordination sites for O2, because the inflexibility of the CTF suppresses the formation of the tetrahedral configuration. The ORR onset potential of Cu−S‐CTF was 880 mV versus a reversible hydrogen electrode at pH 7. This is the first example of an ORR electrocatalyst containing Cu sites with both high redox potential and oxygen‐binding ability.
Molecular Wire Effects in Phenyleneethynylene Oligomers: Surprising Insights
Authors: Hergert Marcel , Bender Markus , Seehafer Kai , Bunz Uwe H. F.
Published: January 2018

The synthesis and quenching behavior of a series of water‐soluble, carboxylate‐carrying phenyleneethynylene oligomers—monomer to tetramer—and their polymers are reported; their quenching behavior with different test analytes (paraquat, lead salts, mercury salts, picric acid, methylpyridinium iodide) in water were investigated, and the results were compared to that of the conjugated polymer. Significant but analyte‐dependent enhancement effects were found. For monovalent quenchers, only the molecular wire effect applies, but for divalent quenchers multivalency effects are also important.
Re(bpy)(CO)3Cl Immobilized on Bipyridine‐Periodic Mesoporous Organosilica for Photocatalytic CO2 Reduction
Authors: Waki Minoru , Yamanaka Ken‐ichi , Shirai Soichi , Maegawa Yoshifumi , Goto Yasutomo , Yamada Yuri , Inagaki Shinji
Published: January 2018

This paper describes the physicochemical properties of a rhenium (Re) complex [Re(bpy)(CO)3Cl] immobilized on a bipyridine‐periodic mesoporous organosilica (BPy‐PMO) acting as a solid support. The immobilized Re complex generated a metal‐to‐ligand charge transfer absorption band at 400 nm. This wavelength is longer than that exhibited by Re(bpy)(CO)3Cl in the polar solvent acetonitrile (371 nm) and is almost equal to that in nonpolar toluene (403 nm). The photocatalytic activity of this heterogeneous Re complex was lower than that of a homogeneous Re complex due to the reduced phosphorescence lifetime resulting from immobilization. However, the catalytic activity was enhanced by the co‐immobilization of the ruthenium (Ru) photosensitizer [Ru(bpy)3]2+ on the PMO pore surfaces. Quantum chemical calculations suggest that electron transfer between the Ru and Re complexes occurs through interactions between the molecular orbitals in the pore walls. These results should have applications to the design of efficient heterogeneous CO2 reduction photocatalysis systems.
Copper‐Catalyzed Regioselective Cleavage of C−X and C−H Bonds: A Strategy for Sulfur Dioxide Fixation
Authors: Yang Daoshan , Sun Pengfei , Wei Wei , Liu Fengjuan , Zhang Hui , Wang Hua
Published: January 2018

The first example of direct fixation of sulfur dioxide between heteroaryls and aryl halides has been developed via copper‐catalyzed regioselective cleavage of C−X and C−H bonds under base‐free and ligand‐free conditions by using DABSO (1,4‐diazabicyclo[2.2.2]octane bis(sulfur dioxide)) as a solid and bench‐stable sulfur dioxide surrogate. This mild protocol results in double C−S bond‐forming reactions from simple precursors in the absence of prefunctionalized organometallic reagents, arenediazonium salts, and iodonium salts which extends the still limited number of sulfur dioxide fixation strategies.
Isomerically Pure Star‐Shaped Triphenylene–Perylene Hybrids Involving Highly Extended π‐Conjugation
Authors: Nuin Edurne , Lloret Vicent , Amsharov Konstantin , Hauke Frank , Abellán Gonzalo , Hirsch Andreas
Published: January 2018

The synthesis and characterization of a new type of a highly conjugated heterocyclic π‐chromophore, consisting of a central triphenylene core fused with three perylene monoimide units (star‐shaped molecules), is described. By judicious bay functionalization with tert‐butylphenoxy substituents, aggregation was completely prevented by using 1,1,2,2‐tetrachloroethane, allowing for a straightforward purification and, for the very first time, the complete separation of the constitutional isomers by HPLC. Both isomers can be easily distinguished by means of several conventional spectroscopic techniques. Furthermore, we have illustrated the absence of supramolecular aggregates and enhanced processability by noncovalent functionalization of graphene substrates, showing an outstanding homogeneity and demonstrating a different doping behavior in both isomers, making it possible to distinguish them by Raman spectroscopy.
A Gold(III) Pincer Ligand Scaffold for the Synthesis of Binuclear and Bioconjugated Complexes: Synthesis and Anticancer Potential
Authors: Bertrand Benoît , O'Connell Maria A. , Waller Zoë A. E. , Bochmann Manfred
Published: January 2018

Cyclometalated (C^N^C)AuIII complexes bearing functionalized N‐heterocyclic carbene (NHC) ligands provide a high‐yielding, modular route to bioconjugated and binuclear complexes. This methodology has been applied to the synthesis of bioconjugated complexes presenting biotin and 17α‐ethynylestradiol vectors, as well as to the synthesis of bimetallic AuIII/AuI complexes. The in vitro antiproliferative activities of these compounds against various cancer cells lines depend on the linker length, with the longer linker being the most potent. The estradiol conjugate AuC6Estra proved to be more toxic against the estrogen receptor positive (ER+) cancer cells than against the ER− cancer cells and non‐cancer cells. The bimetallic complex AuC6Au was more selective for breast cancer cells with respect to a healthy cell standard than the monometallic complex AuNHC. The metal uptake study on cells expressing or not biotin and estrogen receptors revealed an improved and targeted delivery of gold for both the bioconjugated complexes AuC6Biot and AuC6Estra compared to the non‐vectorised analogue AuNHC. The investigations of the interaction of the bioconjugates and bimetallic complexes with human telomeric G‐quadruplex DNA using FRET‐melting techniques revealed a reduced ability to stabilize this DNA structure with respect to the non‐vectorised analogue AuNHC.
A Metallo Pro‐Drug to Target CuII in the Context of Alzheimer's Disease
Authors: Conte‐Daban Amandine , Ambike Vinita , Guillot Régis , Delsuc Nicolas , Policar Clotilde , Hureau Christelle
Published: January 2018

Alzheimer's disease and oxidative stress are connected. In the present communication, we report the use of a MnII‐based superoxide dismutase (SOD) mimic ([MnII(L)]+, 1+) as a pro‐drug candidate to target CuII‐associated events, namely, CuII‐induced formation of reactive oxygen species (ROS) and modulation of the amyloid‐β (Aβ) peptide aggregation. Complex 1+ is able to remove CuII from Aβ, stop ROS and prevent alteration of Aβ aggregation as would do the corresponding free ligand LH. Using 1+ instead of LH in further biological applications would have the double advantage to avoid the cell toxicity of LH and to benefit from its proved SOD‐like activity.
Chiral separation of novel iminonaringenin derivatives
Authors: Bouanini Meriem , Belboukhari Nasser , Menéndez J. Carlos , Sekkoum Khaled , Cheriti Abdelkarim , Aboul‐Enein Hassan Y.
Published: January 2018

A series of 4‐iminonaringenin derivatives 2‐6 have been prepared in good overall yields from a condensation reaction between naringenin and primary amines. The structures of all products were confirmed by ultraviolet, infrared, proton nuclear magnetic resonance, and carbon‐13 nuclear magnetic resonance spectroscopic techniques. These derivatives were analyzed by high‐performance liquid chromatography using polysaccharide‐based chiral stationary phases, namely, Chiralpak IB and Chiralcel OD, using various mobile phases. 2‐Propanol showed a high enantioselectivity for naringin and its derivatives using achiral column containing immobilized polysaccharides (Chiralpak IB).
Development of Potent Inhibitors of the Mycobacterium tuberculosis Virulence Factor Zmp1 and Evaluation of Their Effect on Mycobacterial Survival inside Macrophages
Authors: Paolino Marco , Brindisi Margherita , Vallone Alessandra , Butini Stefania , Campiani Giuseppe , Nannicini Chiara , Giuliani Germano , Anzini Maurizio , Lamponi Stefania , Giorgi Gianluca , Sbardella Diego , Ferraris Davide M. , Marini Stefano , Coletta Massimo , Palucci Ivana , Minerva Mariachiara , Delogu Giovanni , Pepponi Ilaria , Goletti Delia , Cappelli Andrea , Gemma Sandra , Brogi Simone
Published: January 2018

The enzyme Zmp1 is a zinc‐containing peptidase that plays a critical role in the pathogenicity of Mycobacterium tuberculosis. Herein we describe the identification of a small set of Zmp1 inhibitors based on a novel 8‐hydroxyquinoline‐2‐hydroxamate scaffold. Among the synthesized compounds, N‐(benzyloxy)‐8‐hydroxyquinoline‐2‐carboxamide (1 c) was found to be the most potent Zmp1 inhibitor known to date, and its binding mode was analyzed both by kinetics studies and molecular modeling, identifying critical interactions of 1 c with the zinc ion and residues in the active site. The effect of 1 c on intracellular Mycobacterium survival was assayed in J774 murine macrophages infected with M. tuberculosis H37Rv or M. bovis BCG and human monocyte‐derived macrophages infected with M. tuberculosis H37Rv. Cytotoxicity and genotoxicity were also assessed. Overall, inhibitor 1 c displays interesting in vitro antitubercular properties worthy of further investigation.
Getting Innovative Therapies Faster to Patients at the Right Dose: Impact of Quantitative Pharmacology Towards First Registration and Expanding Therapeutic Use
Authors: Nayak Satyaprakash , Sander Oliver , Al‐Huniti Nidal , de Alwis Dinesh , Chain Anne , Chenel Marylore , Sunkaraneni Soujanya , Agrawal Shruti , Gupta Neeraj , Visser Sandra A.G.
Published: January 2018

Quantitative pharmacology (QP) applications in translational medicine, drug‐development, and therapeutic use were crowd‐sourced by the ASCPT Impact and Influence initiative. Highlighted QP case studies demonstrated faster access to innovative therapies for patients through 1) rational dose selection for pivotal trials; 2) reduced trial‐burden for vulnerable populations; or 3) simplified posology. Critical success factors were proactive stakeholder engagement, alignment on the value of model‐informed approaches, and utilizing foundational clinical pharmacology understanding of the therapy.
Apple Watch breaking barriers for students with disabilities
Authors: Littrell Clay
Published: January 2018

Students with autoimmune diseases may face additional barriers in the clinical setting. Their symptoms can be intermittent and could include chronic fatigue, arthritic joint pain, and swelling in their extremities. A number of high‐ and low‐tech solutions can address one of the largest complaints for students — pain in the hands — impacting their ability to type and to grip the equipment needed to perform in clinic or on the wards.
A New Synthetic Route to Heteroanthracenes
Authors: Glukhacheva Vera S. , Il'yasov Sergey G. , Obraztsov Alexander A. , Gatilov Yuri V. , Eltsov Ilia V.
Published: January 2018

In this report, we describe the synthesis of 2,3,4a,6,7,8a,9,10‐octaaza‐4,8‐dioxo‐3,4,4a,7,8,8a,9,9a,10,10a‐decahydroanthracene, an octaaza derivative of reduced anthracene, through the reaction of glyoxal bis(nitrosemicarbazone) with glyoxal bis(hydrazone) in aqueous medium at 70 °C as well as by the hydrolytic decomposition of glyoxal bis(nitrosemicarbazone) in aqueous medium at 70 °C in a one‐pot transformation. The structure of the resultant compound was confirmed by physicochemical analytical methods and X‐ray diffraction. We also obtained the first representative of the cyclic monohydrazone dimer 1,2,4,5,8,9,11,12‐octaazacyclotetradeca‐5,7,12,14‐tetraene‐3,10‐dione, which exists as lactam and lactim tautomers, through the reaction of glyoxal bis(nitrosemicarbazone) with glyoxal bis(hydrazone) in alkaline aqueous medium.
Effects of in situ selenium exposure and maternal transfer on survival and deformities of brown trout (Salmo trutta) fry
Authors: Covington Sean M. , Naddy Rami B. , Prouty Alan L. , Werner Steven A. , Lewis Mark Dunn
Published: January 2018

Offspring of wild adult brown trout exposed to a range of Se concentrations were reared in a laboratory setting to primarily assess effects on survival and deformities. Maternal whole-body Se concentrations ranged from 4.7 to 22.6 mg/kg dry weight for wild fish. Corresponding Se concentrations in embryos ranged from 6.2 to 40.3 mg/kg dry weight. Significant relationships were found between embryo and whole-body tissue concentrations. Increasing egg Se concentrations were correlated with decreasing survival; however, hatch success was not significantly correlated with increasing embryo Se. The best fit effect concentration, 10% (EC10) for survival in the hatch to swim-up period was 20.6 mg/kg dry weight, and the EC10 for hatch to test termination at 88 d was 20.5 mg/kg dry weight egg Se. The best fit model for deformities was based on a baseline-adjusted severity index and resulted in an EC10 of 21.8 mg/kg dry weight egg Se. Both the best fit model EC10s represent more sensitive values than the published range of trout species EC10s. An egg to whole-body tissue conversion factor derived from the paired data resulted in a conversion factor for brown trout of 1.46, which resulted in a whole-body tissue EC10 of 14.04 mg/kg dry weight at an egg tissue EC10 of 20.5 mg/kg dry weight. Environ Toxicol Chem 2018;37:1396–1408. © 2018 SETAC
Hyperheuristic‐based analysis and optimization of a mobile indoor visible light communication system
Authors: Sharma Ram , Kumari A. Charan , Aggarwal Mona , Ahuja Swaran
Published: January 2018

In this paper, we study a mobile indoor visible light communication system that can be used for the creation of the indoor network infrastructure for sending information besides serving its main purpose of illumination. It uses visible light communication technology where the light‐emitting diodes (LEDs) are deployed on the ceiling of the room and the receiver is kept mobile at a certain height from the ground level. This paper focuses on the optimal deployment of the LEDs with an objective to achieve the requisite level of communication performance without any transmission error while maintaining ubiquitous receiver mobility. The hyperheuristic evolutionary algorithm (HypEA) has been implemented to analyze and optimize the energy consumption through optimal placement of LEDs under variation of semiangle values. Furthermore, the implemented optimization algorithm investigates the other system related parameters including average outage area ratio, signal‐to‐noise ratio, and root mean square delay for a given threshold average bit error ratio. Finally, The obtained results are illustrated through numerical plots, which reveal that the HypEA is efficient in optimizing the system to minimize the overall power consumption under maximum receiver mobility.
Introduction to Bayesian Modeling and Inference for Fisheries Scientists
Authors: Doll Jason C , Jacquemin Stephen J
Published: January 2018

Bayesian inference is everywhere, from one of the most recent journal articles in Transactions of the American Fisheries Society to the decision-making process you undergo when selecting a new fishing spot. Bayesian inference is the only statistical paradigm that synthesizes prior knowledge with newly collected data to facilitate a more informed decision—and it is being used at an increasing rate in almost every area of our profession. Thus, the goal of this article is to provide fisheries managers, educators, and students with a conceptual introduction to Bayesian inference. We do not assume that the reader is familiar with Bayesian inference; however, we do assume that the reader has completed an introductory biostatistics course. To this end, we review the conceptual foundation of Bayesian inference without the use of complex equations; present one example of using Bayesian inference to compare relative weight between two time periods; present one example of using prior information about von Bertalanffy growth parameters to improve parameter estimation; and, finally, suggest literature that can help to develop the skills needed to use Bayesian inference in your own management or research program.
Response selection codes in neurophysiological data predict conjoint effects of controlled and automatic processes during response inhibition
Authors: Chmielewski Witold X. , Mückschel Moritz , Beste Christian
Published: January 2018

The inhibition of prepotent responses is a requirement for goal‐directed behavior and several factors determine corresponding successful response inhibition processes. One factor relates to the degree of automaticity of pre‐potent response tendencies and another factor relates to the degree of cognitive control that is exerted during response inhibition. However, both factors can conjointly modulate inhibitory control. Cognitive theoretical concepts suggest that codings of stimulus‐response translations may underlie such conjoint effects. Yet, it is unclear in how far such specific codes, as assumed in cognitive psychological concepts, are evident in neurophysiological processes and whether there are specific functional neuroanatomical structures associated with the processing of such codes. Applying a temporal decomposition method of EEG data in combination with source localization methods we show that there are different, intermingled codes (i.e., “stimulus codes” and “response selection codes”) at the neurophysiological level during conjoint effects of “automatic” and “controlled” processes in response inhibition. Importantly, only “response selection codes” predict behavioral performance, and are subject to conjoint modulations by “automatic” and “controlled” processes. These modulations are associated with inferior and superior parietal areas (BA40/BA7), possibly reflecting an updating of internal representations when information is complex and probably difficult to categorize, but essential for behavioral control. Codes proposed by cognitive, psychological concepts seem to have a neurophysiological analogue that fits into current views on functions of inferior and superior parietal regions.
Hydrophobic and hydrophilic effects on water structuring and adhesion in denture adhesives
Authors: Gill Simrone K. , Roohpour Nima , An Yiran , Gautrot Julien E. , Topham Paul D. , Tighe Brian J.
Published: January 2018

Denture adhesives are designed to be moisture‐sensitive through the inclusion of a blend of polymer salts with varying degrees of water‐sensitivity. This enables the adhesive to mix with saliva in vivo and activate its high tack, through the formation of a mucilaginous layer. We report for the first time, the use of differential scanning calorimetry to study a series of hydrophobic and hydrophilic polymeric systems in order to correlate water‐structuring behavior with adhesion strength. Adhesive bonding of the more hydrophobic variants was higher than that of a commercial‐based control and a more hydrophilic polymer system in both lap shear and tensile configurations. Water‐binding data suggested that increasing the hydrophobicity of the maleic acid copolymer substituents led to decreased levels of freezing water. In comparison, increasing the hydrophilic nature of the polymer backbone gave higher levels of freezing water within the hydrated samples. The results of this study emphasize the importance of varying the levels of hydrophobic and hydrophilic components within denture adhesive formulations, alongside the types of water present within the adhesive systems. This phenomenon has shown the potential to fine‐tune the adhesive properties and failure mode against poly(methyl methacrylate), surfaces. © 2018 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 106A: 1355–1362, 2018.
A Randomized Double‐Blind Controlled Trial of Intravenous Meloxicam in the Treatment of Pain Following Dental Impaction Surgery
Authors: Christensen Steven E. , Cooper Stephen A. , Mack Randall J. , McCallum Stewart W. , Du Wei , Freyer Alex
Published: January 2018

This randomized, controlled phase 2 study was conducted to evaluate the analgesic efficacy, safety, and tolerability of single intravenous (IV) doses of 15 mg, 30 mg, and 60 mg meloxicam compared with oral ibuprofen 400 mg and placebo after dental impaction surgery. The primary efficacy end point was the sum of time‐weighted pain intensity differences for 0‐24 hours postdose. Among 230 evaluable subjects, meloxicam IV 60 mg produced the greatest reduction in pain, followed by the 30‐mg and 15‐mg doses. Statistically significant differences in summed pain intensity differences over 24 hours were demonstrated for each active‐treatment group vs placebo (favoring active treatment) and for meloxicam IV 30 mg and 60 mg vs ibuprofen 400 mg (favoring meloxicam IV). Moreover, there was a statistically significant dose response for meloxicam IV 15 mg to 60 mg. The onset of action for meloxicam IV was rapid and sustained; significant differences in pain intensity differences were detected as early as 10 minutes postdose and lasted through the 24‐hour postdose period. Subjects in the meloxicam IV groups were more likely than placebo recipients to achieve perceptible and meaningful pain relief and were less likely to use rescue medication. Patient‐reported global evaluation showed that meloxicam IV 60 mg had the highest rating. There were no deaths, serious adverse events, or discontinuations due to adverse events. The incidence of subjects with ≥1 treatment‐emergent adverse event was greatest in the placebo group, followed by the groups that received ibuprofen, meloxicam IV 15 mg, 30 mg, and 60 mg. Nausea was the most commonly reported treatment‐emergent adverse event. Clinical trial registration number: NCT00945763.
Preparation of metal–organic frameworks hybridizing with attapulgite and adsorption behaviors for glutathione reduced
Authors: Liu Yi , Liu Yongfeng , Wang Hao , Dong Ling , Di Duolong
Published: January 2018

BACKGROUND

A series of metal–organic frameworks (MOFs) hybrid materials resulting from the hybridization of MOFs and attapulgite were constructed using a facile reflux route under relatively low reaction temperature, and characterized by FTIR spectra, nitrogen adsorption–desorption isotherms, XRD and TGA. For the first time, MOFs hybridizing with attapulgite were employed to enrich peptides with high adsorption selectivity for glutathione reduced on the basis of three selected model peptides (glutathione reduced, bradykinin and insulin from bovine pancreas) due to pore structure, change in microenvironment and composition of the prepared MOFs materials, and molecular size of the selected peptides.

RESULTS

The adsorption capacities of MOFs materials prepared at three different temperatures for glutathione reduced were 66.80, 88.91 and 79.55 mg g–1 in turn, while those of MOFs hybridization materials greatly enhanced, were 83.49, 99.64 and 97.47 mg g–1, respectively. The prepared MOFs materials exhibited excellent reusability. The results of FTIR spectra and X‐ray photoelectron spectroscopy showed that hydrogen bonding, the sieving effect, p‐π and the coordination effect were involved in the adsorption process.

CONCLUSIONS

The excellent adsorption property and selectivity make the present materials highly promising and potentially useful in practical application as adsorbents for peptides with small molecular size such as glutathione reduced. © 2018 Society of Chemical Industry
Endoscopic ultrasound and the liver: current applications and beyond
Authors: Shah Neil D. , Baron Todd H.
Published: January 2018

The diagnosis and management of many gastrointestinal conditions has been augmented by the development of endoscopic ultrasound. Its role in the diagnosis and management of liver disease has been somewhat limited, but with the rapid development of therapeutic advancements it has quickly emerged as a useful tool in the management of complex hepatic conditions. This includes its use in the management of complications of portal hypertension as well as its use in liver lesions and cancer. In this paper, we review case studies, case series and trials for hepatic applications of endoscopic ultrasound to provide an overview of its utilization in this field and demonstrating its more novel applications for future use.
Quantitative [Fe]MRI determination of the dynamics of PSMA‐targeted SPIONs discriminates among prostate tumor xenografts based on their PSMA expression
Authors: Sillerud Laurel O.
Published: January 2018

Background

There is a need for a quantitative MRI method for iron concentration magnetic resonance imaging suitable for measuring the delivery of targeted superparamagnetic iron oxide nanoparticles (SPIONs) to tumors.

Purpose

To apply our newly developed [Fe]MRI method to the quantitative imaging in both space and time of the iron dynamics of anti‐prostate specific membrane antigen (PSMA) conjugated SPIONs within human prostate tumor xenografts in nude mice.

Study Type

Longitudinal.

Animal Model

45 Harlan Sprague Dawley athymic nude mice bearing xenografts from PSMA‐positive LNCaP, C4‐2 and PSMA‐negative DU145 tumors from human prostate tumor cell lines.

Field Strength/Sequence

1.0 Tesla/ T1 and T2 weighted spin echo.

Assessment

Image intensity and contrast measurements.

Statistical Tests

Student's t‐test.

Results

The SPION diffusion coefficient within tumors was D = 44.8 ± 2.4 × 10−6 mm2/s. The iron taken up by PSMA‐positive LNCaP and C4‐2 tumors was proportional to the tail‐vein injected dose from 60 nmol to 1.6 μmol; injection of 1 μmol of iron in anti‐PSMA conjugated SPIONs resulted in a tumor [Fe] of 76 μM. Even at the highest iron dose of 1.6 μmol, the PSMA‐negative DU145 tumors took up no significant iron from the anti‐PSMA conjugated SPIONs. A similar lack of nonspecific uptake was observed when the antibodies against PSMA were omitted from the injected SPION preparation. The fraction of the initial iron dose that was taken up by PSMA‐positive tumors was 2.32 ± 0.75% (n = 10); uptake by the PSMA‐negative DU145 tumors and for SPIONs without anti‐PSMA antibodies was 0.16 ± 0.34% (n = 7) giving a ratio of [Fe] in PSMA + versus PSMA‐ tumors greater than 15:1 (P = 0.01).

Data Conclusion

Quantitative [Fe]MRI of anti‐PSMA conjugated SPIONs discriminated between PSMA‐positive LNCaP and C4‐2 and PSMA‐negative DU145 human prostate tumor xenografts in vivo.

Level of Evidence: 1

Technical Efficacy: Stage 2

J. Magn. Reson. Imaging 2017. J. MAGN. RESON. IMAGING 2018;48:469–481.
Preparation and evaluation of a deoxycholic‐calix[4]arene hybrid‐type receptor as a chiral stationary phase for HPLC
Authors: Yaghoubnejad Sadegh , Tabar Heydar Kourosh , Ahmadi Seyyed Hamid , Zadmard Reza , Ghonouei Nima
Published: January 2018

We report the synthesis and enantioseparation characteristics of two novel covalently immobilized deoxycholic acid derivatives as chiral stationary phases for high‐performance liquid chromatography. In the structure of the first stationary phase, the 3‐position of deoxycholic acid is substituted with a 3,5‐dinitrophenylcarbamoyl group and the second one has an additional calix[4]arene attached to the carboxylic group of the deoxycholic acid. The chromatographic performance of the stationary phases was evaluated with enantioseparation of N‐(3,5‐dinitrobenzoyl)‐dl‐leucine, N‐(3,5‐dinitrobenzoyl)‐dl‐valine, omeprazole, diclofop‐methyl, dl‐mandelic acid and (RS)‐pregabalin. Comparison of the performance characteristics of the prepared chiral stationary phases provided evidence for the active involvement of the calix[4]arene unit in the chiral recognition process. Both stationary phases are chemically bonded to the silica and can be used in both normal‐phase and reversed‐phase modes.
Synthesis, Properties, and Solar Cell Performance of Poly(4‐(p‐alkoxystyryl)thiazole)s
Authors: Jäger Jakob , Schraff Sandra , Pammer Frank
Published: January 2018

A series of polythiazoles (PvTzs) featuring conjugated styryl sidechains equipped with different solubilizing p‐alkoxy‐groups (OR, R = n‐octyl, n‐dodecyl, 2‐ethylhexyl, 2‐hexyldecyl) is prepared by Negishi‐coupling polycondensation. Soluble material with number‐average molecular weights of up to Mn = 8.5 kDa (polydispersity (PDI) = 1.3, degree of polymerization (DPn) ≈ 20) is obtained, with a head‐to‐tail content of the PvTzs of ≈77%, as estimated from comparison with reference polymers. The polymers exhibit optical absorption properties similar to their polythiophene analogues, while their electrochemical characterization shows a significant stabilization of their frontier orbital levels. Fluorescence measurements indicate that upon excitation of the electron rich alkoxystyryl side‐chains charge transfer onto the more electron deficient polythiazole backbone occurs. This finding is corroborated by density functional theory (DFT) calculations on oligomeric model systems, which also consistently reproduce the optical properties observed for the polymers. The potentialities of these materials for applications in organic electronics can be demonstrated by their use as donor materials in organic photovoltaic cells, which exhibit higher open circuit voltages (VOC, up to 0.86 V) than P3HT‐ or analogous polythiophene‐based cells (VOC = 0.5–0.6 V).
Mechanical Reinforcement of Low‐Concentration Alginate Fibers by Microfluidic Embedding of Multiple Cores
Authors: Yoon Dong Hyun , Tanaka Daiki , Sekiguchi Tetsushi , Shoji Shuichi
Published: January 2018

This paper presents mechanically reinforced low‐concentration alginate fibers by embedding inner cores of high‐concentration alginate. 3D structures by stacking multiple polydimethylsiloxane (PDMS) layers allow the microfluidic formation and control of the isolated cores in the continuous flow. The alginate hydrogel fibers are simply spun, and the compartments, central core, surrounding cores, and outer shell layer are successfully verified. The results demonstrate the great potential for the development of complex fibrous materials, particularly for biological applications, which require specific morphology and composition of the fibers.
Improved Electron Transport with Reduced Contact Resistance in N‐Doped Polymer Field‐Effect Transistors with a Dimeric Dopant
Authors: Wang Rong , Guo Yikun , Zhang Di , Zhou Huiqiong , Zhao Dahui , Zhang Yuan
Published: January 2018

Attaining control on charge injection properties is significant for meaningful applications of organic field‐effect transistors (OFETs). Here, molecular electron‐doping is applied with an air‐stable dimer dopant for n‐type OFETs based on (naphthalene diimide–diketopyrrolopyrrole) polymer hosts. Through investigating the doping effect on contact and transport properties, it is found that the electron transport increases in n‐doped OFETs at low doping regime with remaining large on/off ratios. These favorable meliorations are reconciled by the mitigated impacts of contact resistance and interfacial traps, as well as the surface morphology exhibiting features of increased ordering. The occurrence of doping in the presence of dimer dopants is evidenced by the observed shift of Fermi level toward vacuum level coupled with compositional analysis. Without applying vacuum‐deposition‐based contact doping, charge injection efficiencies are gained without losing OFET characteristics using the solution‐based methodology.