bluuebunny/crossref_metadata_2025 huggingface dataset:
Real‐Space Observation of Atomic Site‐Specific Electronic Properties of a Pt Nanoisland/Au(111) Bimetallic Surface by Tip‐Enhanced Raman Spectroscopy
Authors: Su Hai‐Sheng , Zhang Xia‐Guang , Sun Juan‐Juan , Jin Xi , Wu De‐Yin , Lian Xiao‐Bing , Zhong Jin‐Hui , Ren Bin
Published: August 2018

Resolving atomic site‐specific electronic properties and correlated substrate–molecule interactions is challenging in real space. Now, mapping of sub‐10 nm sized Pt nanoislands on a Au(111) surface was achieved by tip‐enhanced Raman spectroscopy, using the distinct Raman fingerprints of adsorbed 4‐chlorophenyl isocyanide molecules. A spatial resolution better than 2.5 nm allows the electronic properties of the terrace, step edge, kink, and corner sites with varying coordination environments to be resolved in real space in one Pt nanoisland. Calculations suggest that low‐coordinate atomic sites have a higher d‐band electronic profile and thus stronger metal–molecule interactions, leading to the observed blue‐shift of Raman frequency of the N≡C bond of adsorbed molecules. An experimental and theoretical study on Pt(111) and mono‐ and bi‐atomic layer Pt nanoislands on a Au(111) surface reveals the bimetallic effect that weakens with the increasing number of deposited Pt adlayer.
Discovery of Small Molecule Ligands for MALAT1 by Tuning an RNA‐Binding Scaffold
Authors: Donlic Anita , Morgan Brittany S. , Xu Jason L. , Liu Anqi , Roble Carlos , Hargrove Amanda E.
Published: August 2018

Structural studies of the 3′‐end of the oncogenic long non‐coding RNA metastasis‐associated lung adenocarcinoma transcript 1 (MALAT1) confirmed a unique triple‐helix structure. This structure enables accumulation of the transcript, and high levels of MALAT1 are found in several cancers. Here, we synthesize a small molecule library based on an RNA‐binding scaffold, diphenylfuran (DPF), screen it against a variety of nucleic acid constructs, and demonstrate for the first time that the MALAT1 triple helix can be selectively targeted with small molecules. Computational analysis revealed a trend between subunit positioning and composition on DPF shape and intramolecular interactions, which in turn generally correlated with selectivity and binding strengths. This work thus provides design strategies toward chemical probe development for the MALAT1 triple helix and suggests that comprehensive analyses of RNA‐focused libraries can generate insights into selective RNA recognition.
Effect of Solvent, Preheating Temperature, and Time on the Ultrasonic Extraction of Phenolic Compounds from Cold‐Pressed Hempseed Cake
Authors: Liang Jingbang , Zago Erika , Nandasiri Ruchira , Khattab Rabie , Eskin N. A. Michael , Eck Peter , Thiyam‐Holländer Usha
Published: August 2018

The effect of different solvents (aqueous methanol [70%, v/v], aqueous acetone [80%, v/v], and a solvent mixture [MA] of aqueous methanol [70%, v/v] and aqueous acetone [70%, v/v] in a ratio of 1:1 [v/v]), preheating temperatures (140, 160, and 180°C), and times of exposure (5, 15, and 30 min) on the ultrasonic extraction of the main phenolic compounds from hempseed cake (Cannabis sativa) was investigated. A simplified new high‐performance liquid chromatography (HPLC) method was developed to identify and quantify the main phenolics (namely, N‐trans‐caffeoyltyramine and cannabisin B) in the extracts. Two other main compounds, numbered 3 and 4, were also detected. The results showed that the nature of the extracting solvent had a significant (P < 0.05) impact on the ultrasonic extraction of phenolic compounds. The acetone extracts exhibited the highest total phenolic content (TPC), followed by MA and methanol. The preheating temperature and time of exposure enhanced the TPC for all solvents examined. The main phenolics, N‐trans‐caffeoyltyramine, cannabisin B, and compound 3, were positively affected by the temperature and time of exposure, irrespective of the solvents used. In sharp contrast, compound 4 appeared to be thermally sensitive: increasing preheating time and temperature decreased the yields of this compound. This study demonstrated that acetone was the most effective extracting solvent and that preheating enhanced the yield of the main phenolics.
Detection of sea‐breeze events around London using a fuzzy‐logic algorithm
Authors: Coceal Omduth , Bohnenstengel Sylvia I. , Kotthaus Simone
Published: August 2018

We present an algorithm for detecting sea breezes based on fuzzy logic, using changes in variables commonly measured at meteorological stations. The method is applied to 1 year's worth of UK Met Office data (2012) measured at several stations around London, UK. Results indicate about a dozen potential events over the year, when matched against corresponding detections at a coastal reference site (Gravesend). In some cases the time lags between corresponding events detected at different stations can be used to characterize the average propagation speed of the sea‐breeze front. Advantages and disadvantages of the method are discussed.
Evaluating co‐substrates to supplement biogas production from tannery solid waste treatment – cattle hair, microalgae biomass, and silicone
Authors: Agustini Caroline B. , da Fontoura Juliana T. , Mella Bianca , Gutterres Mariliz
Published: August 2018

The sustainability of bioenergy production depends largely on the biomass resource and technology used. Several types of organic wastes can be converted into biogas via anaerobic digestion. The purpose of this research was to evaluate the influence of the addition of cattle hair waste, microalgae biomass, or commercial silicone as a third co‐substrate in the co‐digestion of the two solid wastes of major concern to the leather industry: leather shavings and sludge from tannery wastewater treatment plants. The addition of cattle hair did not influence the total cumulative biogas production of 19.4 mL g−1 of volatile suspended solid added, adsorbed practically all the chromium present, and increased by 16% the organic load of the medium, due to the hydrolysis of the hair damaging the treatment of the residues. The addition of microalgae doubled the cumulative biogas production, tripled the maximum daily biogas production, and adsorbed three times more chromium, showing its beneficial effect on the treatment of tannery solid waste for biogas production. The addition of commercial silicone did not influence the total cumulative biogas production but led to a high adsorption capacity for both chromium and organic matter. © 2018 Society of Chemical Industry and John Wiley & Sons, Ltd
Development and validation of an LC–MS/MS method for the determination of DPHB in rat plasma and its application in pharmacokinetic studies
Authors: Wen Qi , Li Hai‐Long , Chen Feng , Gong Jing‐Wen , Guan Wei‐Wei , Fu Nai‐Guang , Tan Yin‐Feng
Published: August 2018

The aim of the present study was to develop a rapid, specific and sensitive LC–MS/MS method for the determination of DPHB [7‐(4″‐hydroxy‐3″‐methoxyphenyl)‐1‐phenyl‐4‐hepten‐3‐one] in rat plasma using yakuchinone A as an internal standard (IS). n‐Hexane was used for the extraction of DPHB from rat plasma. Chromatographic separation of DPHB was achieved using a Kinetex XB‐C18 column (2.10 × 50 mm, 2.6 μm) at 40°C. The mobile phase consisted of water (containing 0.1‰ formic acid, A) and acetonitrile (containing 0.1‰ formic acid, B) under a gradient elution at a flow rate of 0.3 mL min−1. Positive electrospray ionization and multiple reaction monitoring mode were used for detection. The selected precursor ion to product ion pairs, m/z 311.3 → 137.0 for DPHB and m/z 313.1 → 137.0 for yakuchinone A, were monitored. Good linearity was observed over the concentration range from 2 to 2000 ng mL−1 (r = 0.9969). The recovery efficiency of DPHB from rat plasma was 54.8–69.7%, while the matrix effect ranged from 99.7 to 113%. Intra‐ and inter‐day precision and accuracy values were within ±15% at three different quality control concentration levels. This validated method was successfully applied to pharmacokinetic studies in rats after a single p.o. or i.v. dose of DPHB solution. The route of administration significantly influenced systemic exposure to DPHB, and low bioavailability of DPHB was observed. The method developed here will be further improved and used in future pharmacokinetic studies.
Think outside the box to integrate officers with students
Authors: Sutton Halley
Published: August 2018

Columbus State Community College is one of the largest public higher education institutions in Ohio, serving more than 26,000 full‐time students annually. “With part‐time students, students pursuing certification, and other types of training, we typically have about 47,000 students on campus regularly,” said Sean Asbury, chief of police at CSCC. In addition, CSCC has two campuses: one in downtown Columbus and the other in the suburbs. While the campus in the suburbs is staffed only during the hours the campus is open, the Columbus campus employs security staff 24 hours a day, 365 days a year.
Improve interactions with millennials on your campus by considering research‐based insight into trends, myths
Authors: McCarthy Claudine
Published: August 2018

When it comes to perceptions and expectations about interacting with the millennial generation, there's no shortage of stereotypes, myths, and misunderstandings. Gaining a more accurate perspective can help improve your interactions with millennials on your campus.
Digital toolkit informs students about campus crime, resources
Authors: Sutton Halley
Published: August 2018

Sexual offenses are the second most‐reported crime for college and university campuses, after burglaries, according to findings published by Affordable Colleges Online. The findings were published on a digital toolkit to help students be safe and feel safe on campus. It includes statistics on common crimes, strategies to keep yourself safe, and apps that students can download to increase safety both on and off campus.
Three New Monoterpenoid Indole Alkaloids from Ervatamia pandacaqui
Authors: Zhang Jian , Ao Yun‐Lin , Yao Nan , Bai Wen‐Xin , Fan Chun‐Lin , Ye Wen‐Cai , Zhang Xiao‐Qi
Published: August 2018

Three new monoterpenoid indole alkaloids, ervapandine A (1), (3R)‐hydroxyibogaine (3), 12‐hydroxyakuammicine N(4)‐oxide (6), along with four known ones, were isolated from the twigs and leaves of Ervatamia pandacaqui. The structures of the new alkaloids were elucidated by spectroscopic methods and sugar hydrolysis experiment. All of the compounds were evaluated for their cytotoxicity against three human cell lines. Compound 7 showed moderate cytotoxic activity.
Transcellular Spreading of Tau in Tauopathies
Authors: Demaegd Koen , Schymkowitz Joost , Rousseau Frederic
Published: August 2018

Tau, a microtubule‐associated protein playing a key role in a group of neurodegenerative diseases such as Alzheimer's disease, spreads throughout the brain, inducing pathology. A model akin to the spreading of prions has been raised owing to similar characteristics of inducing an abnormal protein conformation as a method of self‐amplification, spreading protein aggregates over anatomically linked pathways. The search to identify the “seeds” that induce conformational change has received much attention; however, less is known about the mechanisms by which tau is transmitted from cell to cell, so‐called “transcellular spreading”. In this review, we gather evidence regarding the spreading of tau throughout the brain and provide an overview of methods by which tau can be released from neurons as well as taken up. Furthermore, we bring together mechanisms of neurotoxicity behind tau spreading. Advancing our understanding about the spreading of tau can guide the search for therapeutic options for multiple neurodegenerative diseases aggregating tau.
Synthetic Receptors for the Recognition and Discrimination of Post‐Translationally Methylated Lysines
Authors: Gruber Tobias
Published: August 2018

Post‐translational modifications (PTMs) describe the chemical alteration of proteins after their biosynthesis in ribosomes. PTMs play important roles in cell biology, including the regulation of gene expression, cell–cell interactions and the development of different diseases. A prominent class of PTMs is the side‐chain methylation of lysine. For the analysis and discrimination of differently methylated lysines, antibodies are widely used, although methylated peptide and protein targets are known to be particularly difficult to differentiate by antibody‐based affinity reagents; an additional challenge can be batch‐to‐batch reproducibility. The application of mass spectrometry techniques for methyllysine discrimination requires a complex sample preparation procedure and is not suited for working in cells. The desire to overcome the above‐mentioned challenges has promoted the development of synthetic receptor molecules that recognise and bind methyllysines. Such “artificial antibodies” are of interest for a number of applications, for example, as reagents in biochemical assays, for the isolation and purification of post‐translationally methylated proteins and for the tracking of signalling pathways. Moreover, they offer new approaches in diagnostics and therapy. This review delivers an overview of the broad field of methyllysine binding and covers a wide range of synthetic receptors used for the recognition of methylated lysines, including calixarenes, resorcinarenes, pillararenes, disulfide cyclophanes, cucurbiturils and acyclic receptors.
Photoactivatable Myristic Acid Probes for UNC119‐Cargo Interactions
Authors: Kaiser Nadine , Mejuch Tom , Fedoryshchak Roman , Janning Petra , Tate Edward W. , Waldmann Herbert
Published: August 2018

Protein myristoylation plays key roles in biological processes, for instance, in membrane attachment and activation of proteins and in mediating protein–protein and protein–lipid interactions. Furthermore, myristoylated proteins are involved in disorders, including cancer and viral infections. Therefore, new tools to study protein myristoylation are in high demand. Herein, we report the development of photoactivatable probes, based on a diazirine‐substituted analogue of myristic acid. The probes bind to and, upon irradiation, covalently label the lipid‐binding chaperone protein uncoordinated 119 (UNC119). UNC119 increases overall solubility and regulates specifically the transport of myristoylated proteins between intercellular membranes. The binding mode of the probes is similar to that of the myristate moiety, and the residues inside the hydrophobic pocket of UNC119 proteins that are critical for covalent binding have been identified. The interaction with UNC119 was also demonstrated in cell lysate by means of affinity enrichment. Moreover, it is shown that the myristate analogue can be incorporated into peptide substrates by N‐myristoyl transferases of Leishmania and Trypanosoma protozoan parasites.
Synthesis of 3,6‐Dihydro‐2H‐[1, 2]‐Oxazines from Nitroarenes and Conjugated Dienes, Catalyzed by Palladium/Phenanthroline Complexes and Employing Phenyl Formate as a CO Surrogate
Authors: EL‐Atawy Mohamed A. , Formenti Dario , Ferretti Francesco , Ragaini Fabio
Published: August 2018

Palladium/phenanthroline catalyzed reduction of nitroarenes by in situ‐generated carbon monoxide, from the decomposition of phenyl formate, affords the corresponding nitrosoarenes. The latter are trapped by conjugated dienes to give the corresponding 3,6‐dihydro‐2H‐[1, 2]‐oxazines (hetero Diels‐Alder adducts). Many functional groups are well tolerated. Yields are higher than those obtainable by any previously reported method, including the direct reaction of the diene with the pure nitrosoarene. The reaction can be performed in a single standard glass pressure tube, without the need for autoclaves or high‐pressure CO lines.
Templated Chromophore Assembly on Peptide Scaffolds: A Structural Evolution
Authors: Rocard Lou , Wragg Darren , Jobbins Samuel Alexander , Luciani Lorenzo , Wouters Johan , Leoni Stefano , Bonifazi Davide
Published: August 2018

The use of a template that bears pre‐programmed receptor sites for selectively accommodating chromophores at given positions is an attractive approach for engineering artificial‐light‐harvesting systems. Indulging this line of thought, this work tackles the creation of tailored antenna architectures with yellow, red and blue chromophores, exploiting three dynamic covalent reactions simultaneously, namely disulfide exchange, acyl hydrazone, and boronic ester formations. The effect of various structural modifications, such as the chromophores as well as their spatial organization (distance, orientation, order) on the energy transfer within the antennas was studied by means of steady‐state UV/Vis absorption and fluorescence spectroscopies. This systematic study allowed for a significant improvement of the energy‐transfer efficiencies to a noticeable 22 and 15 % for the yellow and red donors, respectively, across the chromophores to the blue acceptor. Metadynamics simulations suggested that the conformational properties of the antennas are driven by intramolecular chromophoric stacking interactions that, upon forcing the α‐helix to fold on itself, annul any effects deriving from the programming of the spatial arrangement of the receptor sides in the peptide backbone.
Lipid Switches: Stimuli‐Responsive Liposomes through Conformational Isomerism Driven by Molecular Recognition
Authors: Lou Jinchao , Zhang Xiaoyu , Best Michael D.
Published: August 2018

Advancements in the field of liposomal drug carriers have culminated in greatly improved delivery properties. An important aspect of this work entails development of designer liposomes for release of contents triggered by environmental changes. The majority of these systems are driven by chemical reactions in the presence of different stimuli. However, a promising new paradigm instead focuses on molecular recognition events as the impetus for content release. In certain cases, these platforms exploit synthetic lipid switches designed to undergo conformational changes upon binding to target ions or molecules that perturb membrane assembly, thereby triggering cargo release. Examples of this approach reported thus far showcase how rational design of lipid switches can result in dramatic changes in lipid assembly properties. These strategies show great promise for opening up new pathophysiological stimuli that can be harnessed for programmed content release in drug delivery applications.
Homo‐ and Heteroleptic Coordination Polymers and Oxido Clusters of Bismuth(III) Vinylsulfonates
Authors: Wrobel Lydia , Rüffer Tobias , Korb Marcus , Krautscheid Harald , Meyer Jens , Andrews Philip C. , Lang Heinrich , Mehring Michael
Published: August 2018

The synthesis and characterization of six homo‐ and heteroleptic coordination polymers and oxido clusters of bismuth(III) vinylsulfonates are reported. The solvent‐mediated reaction of BiPh3 and vinylsulfonic acid in ethanol produces [{Ph2Bi(O3SCH=CH2)}n] (1), which crystallizes as a one‐dimensional coordination polymer as a result of bridging sulfonato ligands accompanied by intermolecular Bi⋅⋅⋅ π(arene) London dispersion interactions. In solution, compound 1 equilibrates to give [{PhBi(O3SCH=CH2)2}n] (2) and BiPh3. Compound 2 is obtained as a single product by the reaction of BiPh3 with vinylsulfonic acid in acetonitrile and crystallizes as a one‐dimensional coordination polymer. The homoleptic vinylsulfonate [{Bi(O3SCH=CH2)3}n] (3) was isolated as a two‐dimensional coordination polymer, which is quite moisture sensitive, but did not provide a distinct polynuclear bismuth oxido cluster upon hydrolysis. However, by treatment of [Bi6O4(OH)4(NO3)6]⋅H2O or [Bi38O45(OMc)24(dmso)9(H2O)2]⋅2 DMSO⋅5 H2O (OMc=methacrylate) with vinylsulfonic acid, such a cluster, namely, [Bi9O7(OH)(O3SCH=CH2)11(dmso)11](O3SCH=CH2)⋅3 DMSO (4), is available as the main product. Starting from the hexanuclear bismuth oxido nitrate, another cluster, [Bi38O45(NO3)8(O3SCH=CH2)14(dmso)18](O3SCH=CH2)2⋅2 DMSO (5), was observed as a co‐crystallizing side product, which upon further hydrolysis afforded [Bi38O45(NO3)6(OH)4(O3SCH=CH2)12(dmso)23(H2O)2](O3SCH=CH2)2⋅2 H2O (6).
Light‐Triggered Transformation of Molecular Baskets into Organic Nanoparticles
Authors: Border Sarah E. , Pavlović Radoslav Z. , Zhiquan Lei , Gunther Michael J. , Wang Han , Cui Honggang , Badjić Jovica D.
Published: August 2018

Discovering novel and functional photoresponsive materials is of interest for improving controlled release of molecules and scavenging toxic compounds for cleaning our environment or designing chemosensors. In this study, we report on the photoinduced decarboxylation of basket 16−, containing three glutamic acids at its rim. This concave compound is, in an aqueous environment (30 mm phosphate buffer at pH 7.0), monomeric (1H NMR DOSY, DLS) with glutamic acid residues randomly oriented about its rim (1H NMR and MM‐OPLS3). The irradiation (300 nm) of 16− leads to the exclusive removal of its α‐carboxylates to give amphiphilic 23− possessing γ‐carboxylates. The photochemical transformation is a consecutive reaction with mono‐ and bis‐decarboxylated products observed with 1H NMR spectroscopy and ESI mass spectrometry. Amphiphilic 23− is a preorganized molecule (MM‐OPLS3) that, in water, aggregates into organic nanoparticles (ca. 50–200 nm in diameter; DLS, TEM and cryo‐TEM) having a critical aggregation concentration of 12 μm (UV/Vis). As the transition of monomeric 16− into nanoparticulate 23− is triggered with light, we reasoned that stimuli‐responsive formation of the soft material lends itself to nanotechnology applications such as controlled release or scavenging of targeted compounds.
Host–Guest Binding Hierarchy within Redox‐ and Luminescence‐Responsive Supramolecular Self‐Assembly Based on Chalcogenide Clusters and γ‐Cyclodextrin
Authors: Ivanov Anton A. , Falaise Clément , Abramov Pavel A. , Shestopalov Michael A. , Kirakci Kaplan , Lang Kamil , Moussawi Mhamad A. , Sokolov Maxim N. , Naumov Nikolay G. , Floquet Sébastien , Landy David , Haouas Mohamed , Brylev Konstantin A. , Mironov Yuri V. , Molard Yann , Cordier Stéphane , Cadot Emmanuel
Published: August 2018

Invited for the cover of this issue are Anton A. Ivanov, Mohamed Haouas, Stéphane Cordier, Pavel Abramov, Emmanuel Cadot, and co‐workers involved within the CLUSPOM‐CNRS International Laboratory, including the Nikolaev Institute of Inorganic Chemistry (Novosibirsk, Russia) University of Versailles Saint Quentin and University of Rennes 1 (France). The image has been designed by Mrs. Alice Gronier (UVSQ) from an original idea of Dr. Pavel Abramov (NIIC). The cover picture depicts redox and luminescent octahedral clusters [Re6Q8(CN)6]4− that interact through supramolecular host–guest process, with biocompatible macrocycles such as γ‐cyclodextrin. Read the full text of the article at 10.1002/chem.201802102.
The High‐Pressure Oxide Tb3O5 and its Non‐Centrosymmetric Low‐Temperature Polymorph–A Comprehensive Study
Authors: Glätzle Matthias , Janka Oliver , Svitlyk Volodymyr , Chernyshov Dmitry , Bartsch Manfred , Zacharias Helmut , Pöttgen Rainer , Huppertz Hubert
Published: August 2018

In this article, the first thoroughly characterized mixed‐valent binary rare earth oxide synthesized under high‐pressure/high‐temperature conditions, and its low‐temperature polymorph are reported. Crystalline HT‐HP‐Tb3O5 has been prepared from an equimolar mixture of Tb4O7 and Tb2O3 under reaction conditions of 8 GPa and 1323 K. Single‐crystal X‐ray structure determination showed that HT‐HP‐Tb3O5 crystallizes in the orthorhombic space group Pnma, isopointal to the β‐Yb5Sb3‐type structure. Temperature‐dependent measurements of the magnetic susceptibility showed that HT‐HP‐Tb3O5 is a Curie–Weiss paramagnet. The observed effective magnetic moment of μeff=9.21(2) μB per formula unit fits well to the calculated moment of μcalc=9.17 μB. Low‐field measurements revealed antiferromagnetic ordering at TN=3.6(1) K. Heat capacity measurements indicated an intrinsic structural phase transition of HT‐HP‐Tb3O5 at low temperature, which was confirmed by synchrotron X‐ray powder diffraction data recorded at 2 K. The metastable high‐pressure modification HT‐HP‐Tb3O5 undergoes a translationengleiche transition from space group Pnma to Pn21a (non‐standard setting of Pna21), leading to the low‐temperature polymorph LT‐HP‐Tb3O5 by loss of a mirror plane (displacive phase transition).
Iodine(III)‐Mediated Electrochemical Trifluoroethoxylactonisation: Rational Reaction Optimisation and Prediction of Mediator Activity
Authors: Möckel Robert , Babaoglu Emre , Hilt Gerhard
Published: August 2018

A new electrochemical iodine(III)‐mediated cyclisation reaction for the synthesis of 4‐(2,2,2‐trifluoroethoxy)isochroman‐1‐ones is presented. Based on this reaction design of experiments and multivariate linear regression analysis were used to demonstrate their first application in an electrochemical reaction. The broad applicability of these reaction conditions could be shown by a range of substrates and an extensive compatibility test.
Simultaneous chiral separation of tramadol and methadone in tablets, human urine, and plasma by capillary electrophoresis using maltodextrin as the chiral selector
Authors: Naghdi Elahe , Fakhari Ali Reza
Published: August 2018

The stereoselective analysis and separation of racemic drugs play an important role in pharmaceutical industry to eliminate the unwanted isomer and find the right therapeutic control for the patient. Present study suggests a maltodextrin‐modified capillary electrophoresis method for a single‐run chiral separation of two closely similar opiate pain relief drugs: tramadol (TRA) and methadone (MET). The best separation method possible for the both enantiomers was achieved on an uncoated fused‐silica capillary at 25°C using 100 mM phosphate buffer (pH 8.0) containing 20% (w v−1) maltodextrin with dextrose equivalent of 4–7 and an applied voltage of 16 kV. Under optimal conditions, the baseline resolution of TRA and MET enantiomers was obtained in less than 12 minutes. The relative standard deviations (n = 3) of 20 μg mL−1 TRA and MET were 2.28% and 3.77%, respectively. The detection limits were found to be 2 μg mL−1 for TRA and 1.5 μg mL−1 for MET. This method was successfully applied to the measurement of drugs concentration in their tablets, urine, and plasma samples.
Die Untersuchung von Lidocainhydrochlorid – analytische Methoden im Zusammenspiel
Authors: Habekost Achim
Published: August 2018

Es werden verschiedene analytische Verfahren zur qualitativen und quantitativen Analyse des Arzneimittels Lidocainhydrochlorid vorgestellt. Der Schwerpunkt liegt dabei auf elektrochemischen Verfahren. Die Experimente können in einem Hochschulpraktikum, teilweise auch im Chemieunterricht durchgeführt werden.
A noninvasive method for the determination of in vivo mitral valve leaflet strains
Authors: Rego Bruno V. , Khalighi Amir H. , Drach Andrew , Lai Eric K. , Pouch Alison M. , Gorman Robert C. , Gorman Joseph H. , Sacks Michael S.
Published: August 2018

Assessment of mitral valve (MV) function is important in many diagnostic, prognostic, and surgical planning applications for treatment of MV disease. Yet, to date, there are no accepted noninvasive methods for determination of MV leaflet deformation, which is a critical metric of MV function. In this study, we present a novel, completely noninvasive computational method to estimate MV leaflet in‐plane strains from clinical‐quality real‐time three‐dimensional echocardiography (rt‐3DE) images. The images were first segmented to produce meshed medial‐surface leaflet geometries of the open and closed states. To establish material point correspondence between the two states, an image‐based morphing pipeline was implemented within a finite element (FE) modeling framework in which MV closure was simulated by pressurizing the open‐state geometry, and local corrective loads were applied to enforce the actual MV closed shape. This resulted in a complete map of local systolic leaflet membrane strains, obtained from the final FE mesh configuration. To validate the method, we utilized an extant in vitro database of fiducially labeled MVs, imaged in conditions mimicking both the healthy and diseased states. Our method estimated local anisotropic in vivo strains with less than 10% error and proved to be robust to changes in boundary conditions similar to those observed in ischemic MV disease. Next, we applied our methodology to ovine MVs imaged in vivo with rt‐3DE and compared our results to previously published findings of in vivo MV strains in the same type of animal as measured using surgically sutured fiducial marker arrays. In regions encompassed by fiducial markers, we found no significant differences in circumferential(P = 0.240) or radial (P = 0.808) strain estimates between the marker‐based measurements and our novel noninvasive method. This method can thus be used for model validation as well as for studies of MV disease and repair.
Sigmoid colon perforation after postoperative hypofractionated intensity‐modulated radiation therapy in a cervical cancer patient
Authors: Kim Hakyoung , Park Won , Choi Yoon‐La , Lee Jeong‐Won
Published: August 2018

Background

Radiation‐induced complication occurs in two phases: acute and chronic toxicities. Bowel perforation is regarded as a chronic toxicity associated with injury to vascular and connective tissue. It is usually noted a few months to several years after radiation treatment (RT).

Case

Herein, we present a case of sigmoid colon perforation relatively early after completion of RT. A 70‐year‐old woman was treated with laparoscopic radical hysterectomy and postoperative hypofractionated intensity‐modulated RT for clinical stage IB1 cervical cancer. RT was delivered with a total dose 4000 cGy in 16 fractions to whole pelvis once a day. Sigmoid colon perforation was found 40 days after completion of RT without any typical signs of perforated viscera. Emergency exploratory laparotomy was performed. Pathology revealed chronic inflammation with mucosal ulceration and submucosal fibrosis, a typical radiation effect.

Conclusion

Although the cause of perforation remains unclear, early‐onset sigmoid colon perforation as an effect of irradiation can occur. We should keep in mind the possibility of perforation in the care of radiated patients who present abdominal pain with atypical presentation regardless of satisfaction of dose constraint for radiotherapy.
Improvement of Anticancer Drug Release by Cobalt Ferrite Magnetic Nanoparticles through Combined pH and Temperature Responsive Technique
Authors: Dey Chaitali , Ghosh Arup , Ahir Manisha , Ghosh Ajay , Goswami Madhuri Mandal
Published: August 2018

This work reports the application possibilities of cobalt ferrite (CoFe2O4) magnetic nanoparticles (CFMNPs) for stimuli responsive drug delivery by magnetic field induced hyperthermia technique. The CFMNPs were characterized by X‐ray diffraction (XRD) with Rietveld analysis, field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), selected area electron diffraction (SAED), fourier transform infrared spectroscopy (FTIR), thermogravimetry and differential thermal analysis (TG‐DTA), vibrating sample magnetometer (VSM) and superconducting quantum interference device (SQUID) magnetometry. Particles were functionalized with folic acid (FA) by EDC‐NHS coupling method and loaded with anticancer drug (DOX) by activated folate ions. The drug release was studied as a function of time at two different temperatures (37 and 44 °C) under pH∼5.5 and 7. It was observed that the drug release rate is higher at elevated temperature (44 °C) and acidic pH∼5.5 as compared to our normal body temperature and pH∼7 using the CFMNPs. This way, we have developed a pH and temperature sensitive drug delivery system, which can release the anticancer drug selectively by applying ac magnetic field as under ac field particles are heated up. We have calculated the amount of heat generation by the particles around 1.67 °C per second at ∼600 Hz frequency. By MTT assay on cancer cell and normal cell, it was confirmed that CFMNPs are nontoxic and biocompatible in nature, which assures that our synthesized particles can be successfully used in localized cancer treatment by stimuli responsive drug delivery technique.
Ultrafast Charge Dynamics in Mixed Cation – Mixed Halide Perovskite Thin Films
Authors: Minda Iulia , Horn Jonas , Ahmed Essraa , Schlettwein Derck , Schwoerer Heinrich
Published: August 2018

Perovskite based photovoltaic devices are popularised by the rapid increase in their efficiencies. Understanding the fundamental physics and chemistry processes occurring upon excitation is key. We monitored the temporal evolution of the population and depopulation dynamics of various electronic states in FA0.85MA0.15PbI2.55Br0.45 by means of ultrafast transient absorption spectroscopy in the visible and near infrared spectral regions in order to build a fully consistent charge dynamics model of the initial photoprocesses. Upon photoexcitation with 3.2 eV photon energy, hot electrons and holes are generated in the lowest conduction and highest valence bands, away from the bandgap, and cool to the band edges with a time constant of 500 fs. Geminate recombination of excitons occurs with a time constant of 66 ps, which increases to approximately 130 ps at the optical bandgap. From a systematic study of the excited state population dynamics and its dependence on charge carrier density, we determined the nonlinear recombination rate constants characteristic to FA0.85MA0.15PbI2.55Br0.45. The coefficient describing the non‐geminate recombination of free electrons and holes is independent of the k vector as well as the charge carrier density and equal to 1×10−10 s−1 cm3, while the Auger recombination coefficient decreases with increasing charge carrier density in the range of (2–50)×10−32 s−1 cm6.
Structure, Conformational Equilibria, and Weak Hydrogen Bonding in the CH2F2−CF3CH2F Dimer
Authors: Lu Tao , Chen Junhua , Zhang Jiaqi , Gou Qian , Xia Zhining , Feng Gang
Published: August 2018

To probe the multiple configurations of a weakly bound intermolecular complex, the difluoromethane and 1,1,1,2‐tetrafluoroethane dimer was investigated by using pulsed jet Fourier transform microwave spectroscopy coupled with quantum chemical calculations. Three isomers were detected in the supersonic jet. Spectroscopic assignments, ab initio calculations and quantum theory of atoms in molecules (QTAIM) analyses prove that all the observed isomers are stabilized through a net of three weak C−H⋅⋅⋅F−C interactions. The interaction energies are estimated to be within 12–13 kJ mol−1, dominated by electrostatic and dispersion according to Symmetry‐Adapted Perturbation Theory (SAPT) analysis. The spectroscopic measurements were also extended to three and two 13C isotopologues in natural abundance for the isomers II and III, respectively, which lead to precisely structural determinations of these two isomers. The comparison of the relative intensity of these isomers measured in the carrier gases of argon and helium evidenced that isomer II is the global minimum, while the intensities measured in helium suggested that the population of the three isomers in the jet to be NI/NII/NIII≈1/11/4.
Atomic Force Microscopy Study of the Influence of the Synthesis Conditions on the Single‐Crystal Surface of Interdigitated Metal‐Organic Frameworks
Authors: Kamakura Yoshinobu , Hosono Nobuhiko , Terashima Aya , Kitagawa Susumu , Yoshikawa Hirofumi , Tanaka Daisuke
Published: August 2018

The front cover artwork is provided by the groups of Mr. Y. Kamakura, Prof. Dr. H. Yoshikawa and Prof. Dr. D. Tanaka (Kwansei Gakuin University, Japan) as well as Dr. N. Hosono, Ms. A. Terashima and Prof. Dr. S. Kitagawa (Institute for Integrated Cell‐Material Sciences (WPI‐iCeMS), Kyoto University Institute for Advanced Study (KUIAS), Japan). The image shows the competition between solvent molecules and ligands under crystal growth and the observation of the step edge on a metal–organic framework (MOF) crystal surface by atomic force microscopy. Read the full text of the Communication at 10.1002/cphc.201800439.
Yolk‐Shell‐Mesostructured Silica‐Supported Dual Molecular Catalyst for Enantioselective Tandem Reactions
Authors: Wu Liang , Li Yilong , Meng Jingjing , Jin Ronghua , Lin Jingrong , Liu Guohua
Published: August 2018

Yolk‐shell‐mesostructured silica was used as a support in the development of an active‐site‐isolated bifunctional catalyst that can mediate a sequential organic transformation. Herein, through immobilization, the location of two catalytic species is controlled: a base functionality is anchored in the channels of the outer silica shell and a chiral ruthenium/diamine functionality is anchored on the inner silica yolk. The result is a yolk‐shell‐mesostructured silica‐supported active‐site‐isolated dual molecule catalyst. Structural analysis through solid‐state carbon 13C NMR spectroscopy reveals its well‐defined single‐site dual active centers. Electron microscopy investigations disclose its uniformly distributed mesoporous nanoparticles. As envisaged, this bifunctional catalyst enables a controllable aza‐Michael addition/asymmetric transfer hydrogenation catalytic sequence, where the base‐catalyzed aza‐Michael addition of enones and amines to aryl‐substituted
‐secondary amino ketones is followed by a Ru‐catalyzed asymmetric transfer hydrogenation. Various aryl‐substituted γ‐secondary amino alcohols are obtained in high yields and enantioselectivities via this one‐pot enantioselective organic transformation. Furthermore, the heterogeneous catalyst can be applied in a continuous‐flow process, which was shown to be particularly attractive for the practical preparation of aryl‐substituted γ‐secondary amino alcohols in an environmentally friendly medium.
Utilizing Miniature Fluorescence Microscopy to Image Hippocampal Place Cell Ensemble Function in Thy1.GCaMP6f Transgenic Mice
Authors: Indersmitten Tim , Berdyyeva Tamara , Aluisio Leah , Lovenberg Timothy , Bonaventure Pascal , Wyatt Ryan M.
Published: August 2018

Imaging neuronal activity in awake behaving mice with miniature fluorescence microscopes requires the implementation of a variety of procedures. Surgeries are performed to gain access to the cell population of interest and to implant microscope components. After a recovery period, mice are trained to exhibit a desired behavior. Finally, neuronal activity is imaged and synchronized with that behavior. To take full advantage of the technology, selection of the calcium indicator and experimental design must be carefully considered. In this article, we explain the procedures and considerations that are critical for obtaining high‐quality calcium imaging data. As an example, we describe how to utilize miniature fluorescence microscopy to image hippocampal place cell activity during linear track running in Thy1.GCaMP6f transgenic mice. © 2018 by John Wiley & Sons, Inc.
Yeast Two‐Hybrid Assay to Identify Interacting Proteins
Authors: Paiano Aurora , Margiotta Azzurra , De Luca Maria , Bucci Cecilia
Published: August 2018

This article describes the general method to perform the classical two‐hybrid system. Although it has already been more than 25 years since this technique was developed, it still represents one of the best and most inexpensive, time saving, and straightforward methods to identify and study protein‐protein interactions. Indeed, this system can be easily used to identify interacting proteins for a given protein, to check interactions between two known proteins, or to map interacting domains. Most of the interactions revealed using the two‐hybrid assay have been proven to be binary direct interactions. Data comparison with other systems, such as mass spectrometry, have demonstrated that this system is at least as reliable. In fact, its use is increasing with time, and at present numerous variants of the yeast two‐hybrid assay have been developed, including high‐throughput systems that promote the generation of a proteome‐scale map of protein‐protein interactions in specific system. © 2018 by John Wiley & Sons, Inc.
Facile In Situ Synthesis of Micro/Nano Structured MgH2 Whiskers and Investigation of Their Growth Mechanisms
Authors: Zhang Tonghuan , Song Yanwei , Han Zongying , Chen Xin , Zhao Xi , Zhou Shixue , Yu Hao
Published: August 2018

To improve hydrogen storage capacity, MgH2 whiskers are produced directly from common Mg particles through hydrogenation at 420 °C under 2 MPa of H2 for 72 h. The morphology, thermal stability, growth direction, and growth mechanism of the whiskers are investigated. Results show that the as‐prepared sample with whiskers has a hydrogen storage capacity of 7.14 wt.%, but features high thermal stability. Under SEM, the MgH2 whiskers are 400–1000 nm in diameter and their lengths can reach to 150 µm. The long whiskers display, to some extent, flexibility like human hair. XRD test reveals that the preferred orientation for the whisker growth is along the [101] direction of β‐MgH2. Existence of liquid phase MgH2 is demonstrated. Two growth pathways for the MgH2 whiskers have been found according to their different morphologies. One is by vapor–liquid–solid mechanism from hydriding chemical vapor deposition and the other is by stress inducible recrystallization orientated growth from bulk MgH2 particles. Besides, the addition of transition metal (Cu, Co) is found to suppress the growth of MgH2 whiskers.
Evidence of diabetes‐specific autoimmunity in obese subjects with normal glucose tolerance
Authors: Tiberti Claudio , Zampetti Simona , Capoccia Danila , Campagna Giuseppe , Lucantoni Federica , Anastasi Emanuela , Pallotta Lucia , Panimolle Francesca , Leto Gaetano , Lenzi Andrea , Leonetti Frida , Buzzetti Raffaella
Published: August 2018

Background

Recently, significant attention has been paid to the possible activation of an autoimmune response in the presence of obesity. The aim of this study was to evaluate and compare the frequencies of autoantibodies typical of autoimmune diabetes in obese patients with normal glucose tolerance (NGT), obese patients with type 2 diabetes (T2D) and controls. We also evaluated the presence of immunoreactivity to Hashimoto's thyroiditis and autoimmune gastritis.

Materials and methods

Consecutive sera from obese patients, 444 with NGT, 322 with T2D, and 212 controls were analysed by radioimmunoassay or enzyme‐linked immunosorbent assay for glutamic acid decarboxylase, protein tyrosine phosphatase islet antigen‐2 (IA‐2)IC and IA‐2(256‐760), islet beta‐cell zinc cation transporter (ZnT8), thyroid peroxidase, and anti‐parietal cell autoantibodies.

Results

Altogether the presence of organ‐specific autoantibodies was significantly more frequent in obese patients with NGT (128/444, 28.5%) and obese with T2D (79/322, 24.5%) than in controls (36/212, 17%; P = 0.002). Thyroid peroxidase immunoreactivity was prevalent in all groups of subjects investigated. The frequencies of diabetes‐specific autoantibodies were slightly higher in obese patients with NGT (20/444, 4.5%) than in obese with T2D (12/322, 3.7%) and controls (4/212, 1.9%). The anti IA‐2(256‐760) was the most frequent islet autoantibody in obese subjects with NGT (14/20, 70%).

Conclusions

We observed significant evidence of immunoreactivity specific to diabetes, thyroid, and gastric‐parietal cells in obese patients with NGT. The relatively higher frequency of the diabetes‐related IA‐2(256‐760) autoantibodies in obese patients with NGT may suggest that this autoantibody could be associated with obesity the presence of obesity itself.
A new approach to eating‐disorder classification: Using empirical methods to delineate diagnostic dimensions and inform care
Authors: Forbush Kelsie T. , Chen Po‐Yi , Hagan Kelsey E. , Chapa Danielle A. N. , Gould Sara R. , Eaton Nicholas R. , Krueger Robert F.
Published: August 2018

Objective

Despite changes to the diagnostic criteria for eating disorders (EDs) in the DSM‐5, the current diagnostic system for EDs has limited ability to inform treatment planning and predict outcomes. Our objective was to test the clinical utility of a novel dimensional approach to understanding the structure of ED psychopathology.

Method

Participants (N = 243; 82.2% women) were community‐recruited adults with a DSM‐5 ED assessed at baseline, 6‐month, and 1‐year follow‐up. Hierarchical factor analysis was used to identify a joint hierarchical‐dimensional structure of eating, mood, and anxiety symptoms. Exploratory structural equation modeling was used to test the ability of the dimensional model to predict outcomes.

Results

At the top of the hierarchy, we identified a broad Internalizing factor that reflected diffuse symptoms of eating, mood, and anxiety disorders. Internalizing branched into three subfactors: distress, fear–avoidance (fears of certain stimuli and behaviors to neutralize fears, including ED behaviors designed to reduce fear of weight gain), and body dissatisfaction, which was nested within distress. The lowest level of the hierarchy was characterized by 15 factors. The hierarchical model predicted 60.1% of the variance in outcomes at 6‐month follow‐up, whereas all DSM eating, mood, and anxiety disorders combined predicted 35.8% of the variance in outcomes.

Discussion

A dimensional approach to understanding and diagnosing EDs improved the ability to prospectively predict clinical course above‐and‐beyond the traditional categorical (DSM‐based) approach. Our findings have implications for endeavors to improve the prediction of ED prognosis and course, and to develop more effective trans‐diagnostic treatments.
From sample to pixel: multi‐scale remote sensing data for upscaling aboveground carbon data in heterogeneous landscapes
Authors: Leitão Pedro J. , Schwieder Marcel , Pötzschner Florian , Pinto José R. R. , Teixeira Ana M. C. , Pedroni Fernando , Sanchez Maryland , Rogass Christian , van der Linden Sebastian , Bustamante Mercedes M. C. , Hostert Patrick
Published: August 2018

In times of rapid global change, ecosystem monitoring is of utmost importance. Combined field and remote sensing data enable large‐scale ecosystem assessments, while maintaining local relevance and accuracy. In heterogeneous landscapes, however, the integration of field‐collected data with remote sensing image pixels is not a trivial matter. Indeed, much of the uncertainty in models that use remote sensing to map larger areas lies on the field data integration. In this study, we propose to use fine spatial resolution (5 × 5 m2) remote sensing data as auxiliary data for upscaling field‐sampled aboveground carbon data to target (meso‐scale, i.e., 30 × 30 m2) image pixels. In this process, we assess the effects of field data disaggregation and extrapolation, with and without the auxiliary data. We test this on three study sites in heterogeneous landscapes of the Brazilian savanna. We thus compare two methods that use auxiliary data—surface method, which uses a weighting layer, and regression method, which applies a regression model—with one method without auxiliary data—cartographic method. To evaluate our results, we compared observed vs. estimated aboveground carbon values (for known samples) at the pixel level. Additionally, we fitted a random forest regression model with the assigned carbon estimates and the target satellite imagery and assessed the influence of the fraction of extrapolated vs. sampled carbon values on model performance. We observed that, in heterogeneous landscapes, the use of fine spatial resolution remote sensing data improves the upscaling of field‐based aboveground carbon data to coarser image pixels. We also show that a surface method is more suitable for spatial disaggregation, while a regression approach is preferable for extrapolating non‐sampled pixel fractions. In our study, larger datasets, which included a higher proportion of estimated values, generally delivered better models of aboveground carbon than smaller datasets that are assumed to more reliably reflect reality. Our approach enables to link field and remote sensing data, which in turn enables the detailed mapping of aboveground carbon in heterogeneous landscapes over large areas through the optimized integration of field data and multi‐scale remote sensing data.