bluuebunny/crossref_metadata_2025_split huggingface dataset:
Brain potentials predict substance abuse treatment completion in a prison sample
Authors: Fink Brandi C. , Steele Vaughn R. , Maurer Michael J. , Fede Samantha J. , Calhoun Vince D. , Kiehl Kent A. 
Published: June 2016

AbstractIntroductionNational estimates suggest that up to 80% of prison inmates meet diagnostic criteria for a substance use disorder. Because more substance abuse treatment while incarcerated is associated with better post‐release outcomes, including a reduced risk of accidental overdose death, the stakes are high in developing novel predictors of substance abuse treatment completion in inmate populations.MethodsUsing electroencephalography (EEG), this study investigated stimulus‐locked ERP components elicited by distractor stimuli in three tasks (VO‐Distinct, VO‐Repeated, Go/NoGo) as a predictor of treatment discontinuation in a sample of male and female prison inmates. We predicted that those who discontinued treatment early would exhibit a less positive P3a amplitude elicited by distractor stimuli.ResultsOur predictions regarding ERP components were partially supported. Those who discontinued treatment early exhibited a less positive P3a amplitude and a less positive PC4 in the VO‐D task. In the VO‐R task, however, those who discontinued treatment early exhibited a more negative N200 amplitude rather than the hypothesized less positive P3a amplitude. The discontinuation group also displayed less positive PC4 amplitude. Surprisingly, there were no time‐domain or principle component differences among the groups in the Go/NoGo task. Support Vector Machine (SVM) models of the three tasks accurately classified individuals who discontinued treatment with the best model accurately classifying 75% of inmates. PCA techniques were more sensitive in differentiating groups than the classic time‐domain windowed approach.ConclusionsOur pattern of findings are consistent with the context‐updating theory of P300 and may help identify subtypes of ultrahigh‐risk substance abusers who need specialized treatment programs.
CXCR4 and CCR7: Two eligible targets in targeted cancer therapy
Authors: Mishan Mohammad Amir , Ahmadiankia Naghmeh , Bahrami Ahmad Reza 
Published: June 2016

AbstractCancer is one of the most common cause of death in the world with high negative emotional, economic, and social impacts. Conventional therapeutic methods, including chemotherapy and radiotherapy, have not proven satisfactory and relapse is common in most cases. Recent studies have focused on targeted therapy with more precise identification and targeted attacks to the cancer cells. For this purpose, chemokine receptors are proper targets and among them, CXCR4 and CCR7, with a crucial role in cancer metastasis, are being considered as desired candidates for investigation. In this review paper, the most important experimental results are highlighted on the potential targeted therapies based on CXCR4 and CCR7 chemokine receptors.
Choledocholithiases in a child with Hemoglobin Evans [alpha2 62(E11) Val→Met]
Authors: Hayakawa Itaru , Hataya Hiroshi , Kaneko Takashi 
Published: June 2016

Key Clinical MessageWe present the first description of choledocholithiases in a 10‐year‐old boy with Hemoglobin Evans. Although biliary stones are much less common in children than in adults, epigastric pain in children with known hemolytic status should alert the physician to the possibility of biliary colic.
X‐Ray Diffraction and Mössbauer Spectroscopy Studies of Pressure‐Induced Phase Transitions in a Mixed‐Valence Trinuclear Iron Complex
Authors: Madsen Solveig R. , Gunnlaugsson Haraldur P. , Moggach Stephen A. , Eikeland Espen , Wu Lai‐Chin , Leupold Olaf , Overgaard Jacob , Iversen Bo B. 
Published: June 2016

AbstractThe mixed‐valence complex Fe3O(cyanoacetate)6(H2O)3 (1) has been studied by single‐crystal X‐ray diffraction analysis at pressures up to 5.3(1) GPa and by (synchrotron) Mössbauer spectroscopy at pressures up to 8(1) GPa. Crystal structure refinements were possible up to 4.0(1) GPa. In this pressure range, 1 undergoes two pressure‐induced phase transitions. The first phase transition at around 3 GPa is isosymmetric and involves a 60° rotation of 50 % of the cyanoacetate ligands. The second phase transition at around 4 GPa reduces the symmetry from rhombohedral to triclinic. Mössbauer spectra show that the complex becomes partially valence‐trapped after the second phase transition. This sluggish pressure‐induced valence‐trapping is in contrast to the very abrupt valence‐trapping observed when compound 1 is cooled from 130 to 120 K at ambient pressure.
A Facile Process for the Preparation of Three‐Dimensional Hollow Zn(OH)2 Nanoflowers at Room Temperature
Authors: Cai Ren , Yang Dan , Zhang Liqing , Qiu Liping , Liang Hao , Chen Xigao , Cansiz Sena , Zhang Zuxiao , Wan Shuo , Stewart Kimberly , Yan Qingyu , Tan Weihong 
Published: June 2016

AbstractA facile strategy has been developed to synthesize double‐shelled Zn(OH)2 nanoflowers (DNFs) at room temperature. The nanoflowers were generated via conversion of Cu2O nanoparticles (NPs) using ZnCl2 and Na2S2O3 by a simple process. Outward diffusion of the Cu2+, produced by an oxidation process on the surface of NPs, and the inward diffusion of Zn2+ by coordination and migration, eventually lead to a hollow cavity in the inner NPs with a double‐shelled 3D hollow flower shapes. The thickness of the inner and outer shells is estimated to be about 20 nm, and the thickness of nanopetals is about 7 nm. The nanoflowers have large surface areas and excellent adsorption properties. As a proof of potential applications, the DNFs exhibited an excellent ability to remove organic molecules from aqueous solutions.
Synergistic Effects of Metals in a Promising RuII−PtII Assembly for a Combined Anticancer Approach: Theoretical Exploration of the Photophysical Properties
Authors: Alberto Marta E. , Russo Nino , Adamo Carlo 
Published: June 2016

AbstractRuII−PtII complexes are a class of bioactive molecules of interest as anticancer agents that combine a light‐absorbing chromophore with a cisplatin‐like unit. The results of a DFT and TDDFT investigation of a RuII complex and its conjugate with a cis‐PtCl2 moiety reveal that a synergistic effect of the metals makes the assembly a promising multitarget anticancer drug. Inspection of type I and type II photoreactions and spin–orbit coupling computations reveals that the cis‐PtCl2 moiety improves the photophysical properties of the RuII chromophore, ensuring efficient singlet oxygen generation and making the assembly suitable for photodynamic therapy. At the same time, the RuII chromophore promotes a new alternative activation mechanism of the PtII ligand via a triplet metal‐to‐ligand charge transfer (3MLCT) state, before reaching the biological target. The importance of the supramolecular architecture is accurately derived, opening interesting new perspectives on the use of bimetallic RuII−PtII assemblies in a combined anticancer approach.
Gadolinium(III) Porpholactones as Efficient and Robust Singlet Oxygen Photosensitizers
Authors: Ke Xian‐Sheng , Ning Yingying , Tang Juan , Hu Ji‐Yun , Yin Hao‐Yan , Wang Gao‐Xiang , Yang Zi‐Shu , Jie Jialong , Liu Kunhui , Meng Zhao‐Sha , Zhang Zongyao , Su Hongmei , Shu Chunying , Zhang Jun‐Long 
Published: June 2016

AbstractConstruction of GdIII photosensitizers is important for designing theranostic agents owing to the unique properties arising from seven unpaired f electrons of the Gd3+ ion. Combining these with the advantages of porpholactones with tunable NIR absorption, we herein report the synthesis of GdIII complexes Gd‐1–4 (1, porphyrin; 2, porpholactone; 3 and 4, cis‐ and trans‐porphodilactone, respectively) and investigated their function as singlet oxygen (1O2) photosensitizers. These Gd complexes displayed 1O2 quantum yields (ΦΔs) from 0.64–0.99 with the order Gd‐1<Gd‐2<Gd‐3<Gd‐4. The gradually enhanced 1O2 sensitization after β‐oxazolone moiety replacement was ascribed to the narrowing of the energy gap (ΔE) between the lowest triplet states (T1) of the ligand and the energy level of the 1Δg→3Σg transition of 1O2. In particular, Gd‐4 is capable of excitation in the visible to NIR region (400–700 nm) with a quantum yield near unity. These Gd complexes were first demonstrated as efficient photosensitizers in photocatalysis such as oxidative C−H bond functionalization of secondary or tertiary amines, and the oxygenation of the natural product cholesterol. Finally, after glycosylation, these water‐soluble Gd complexes showed potential applications in photodynamic therapy (PDT) in HeLa cells. This work revealed that GdIII complexes of “bioinspired” β‐modified porpholactones are efficient NIR photosensitizers and form a chemical basis to construct appealing photocatalysts and theranostic agents based on lanthanides.
Heterogenized Water Oxidation Catalysts Prepared by Immobilizing Kläui‐Type Organometallic Precursors
Authors: Pastori Gabriele , Wahab Khaja , Bucci Alberto , Bellachioma Gianfranco , Zuccaccia Cristiano , Llorca Jordi , Idriss Hicham , Macchioni Alceo 
Published: June 2016

AbstractAn efficient heterogenized water oxidation catalyst (2_TiO2) has been synthesized by immobilizing the Kläui‐type organometallic precursor [Cp*Ir{P(O)(OH)2}3]Na (2, Cp*=1,2,3,4,5‐pentamethylcyclopentadienyl ligand) onto rutile TiO2. Iridium is homogeneously distributed at the molecular and atomic/small cluster level in 2_TiO2 and 2′_TiO2 (solid catalyst recovered after the first catalytic run), respectively, as indicated by STEM‐HAADF (scanning transmission electron microscopy ‐ high angle annular dark field) studies. 2′_TiO2 exhibits TOF values up to 23.7 min−1 in the oxidation of water to O2 driven by NaIO4 at nearly neutral pH, and a TON only limited by the amount of NaIO4 used, as indicated by multiple run experiments. Furthermore, while roughly 40 % leaching is observed during the first catalytic run, 2′_TiO2 does not undergo any further leaching even when in contact with strongly basic solutions and completely maintains its activity for thousands of cycles. NMR studies, in combination with ICP‐OES (inductively coupled plasma optical emission spectrometry), indicate that the activation of 2_TiO2 occurs through the initial oxidative dissociation of PO43−, ultimately leading to active centers in which a 1:1 P/Ir ratio is present (derived from the removal of two PO43− units) likely missing the Cp* ligand.
A Highly Selective Fluorescence Turn‐On Sensor for Extracellular Calcium Ion Detection
Authors: Sui Binglin , Liu Xinglei , Wang Mengyuan , Belfield Kevin D. 
Published: June 2016

AbstractA highly water‐soluble, fluorescence turn‐on sensor for Ca2+ is reported. The sensor affords high selectivity in sensing Ca2+ over other biologically important metal cations. The dissociation constant of the sensor in binding Ca2+ is 0.92 mm. Fluorescence microscopy experiments demonstrate that the sensor is cell‐impermeable and capable of detecting extracellular Ca2+.
Formation of C(sp3)–C(sp3) Bonds through Nickel‐Catalyzed Decarboxylative Olefin Hydroalkylation Reactions
Authors: Lu Xi , Xiao Bin , Liu Lei , Fu Yao 
Published: June 2016

AbstractOlefins and carboxylic acids are among the most important feedstock compounds. They are commonly found in natural products and drug molecules. We report a new reaction of nickel‐catalyzed decarboxylative olefin hydroalkylation, which provides a novel practical strategy for the construction of C(sp3)−C(sp3) bonds. This reaction can tolerate a variety of synthetically relevant functional groups and shows good chemo‐ and regioselectivity. It enables cross‐coupling of complex organic molecules containing olefin groups and carboxylic acid groups in a convergent fashion.
Superlegierungen
Authors: Feil Sylvia 
Published: June 2016

AbstractDie mechanischen Eigenschaften von Werkstoffen hängen nicht nur von ihrer chemischen Zusammensetzung ab, sondern insbesondere auch von den in ihnen enthaltenen Kristalldefekten. Werden diese Defekte verstanden, lassen sich mit diesem Wissen gezielt neue Legierungen entwerfen, statt sie wie bislang durch Versuch und Irrtum zu entwickeln.
Die Zeitschaltuhr
Authors: Groß Michael 
Published: June 2016

AbstractWenn Sie nach Peking oder Mexiko fliegen, kann es gut sein, dass Sie eine Woche brauchen, um ihren Schlafrhythmus der dortigen Ortszeit anzupassen. Und wenn Sie zwei Wochen später zurückreisen, haben Sie denselben Ärger wieder, nur in umgekehrter Richtung. Der Jetlag macht uns auf sehr eindrucksvolle Weise deutlich, dass wir eine innere Uhr besitzen, die zunächst einmal versucht, ihren 24‐Stunden‐Rhythmus weiterzuführen, auch wenn wir in einer anderen Zeitzone landen.
Synthesis and Antimicrobial Activity of Albicidin Derivatives with Variations of the Central Cyanoalanine Building Block
Authors: Grätz Stefan , Kerwat Dennis , Kretz Julian , von Eckardstein Leonard , Semsary Siamak , Seidel Maria , Kunert Maria , Weston John B. , Süssmuth R. D. 
Published: June 2016

AbstractTo investigate the pharmacophore regions of the antibiotic albicidin, derivatives with variations on the central amino acid were synthesized. Charged as well as uncharged residues were chosen to explore the influence of charge, chirality, and steric bulk. The bioactivity of the newly synthesized derivatives was determined by a microdilution technique to obtain minimum inhibitory concentrations (MIC) values. The compounds were also tested in a cell‐free system to obtain information about their ability to inhibit their primary target, DNA gyrase. It was then shown that derivatives with uncharged side chains retain antibacterial activity, whereas incorporation of charged amino acid residues decreases the antibacterial activity dramatically, possibly due to restricted cell penetration of these derivatives. From the newly synthesized derivatives, the threonine derivative shows the most promising results in both tests. The information will help to develop the features of albicidin toward more drug‐like structures.
Building a Better Quaternary Ammonium Compound (QAC): Branched Tetracationic Antiseptic Amphiphiles
Authors: Forman Megan E. , Jennings Megan C. , Wuest William M. , Minbiole Kevin P. C. 
Published: June 2016

AbstractBacteria contaminate surfaces in a wide variety of environments, causing severe problems across a number of industries. In a continuation of our campaign to develop novel antibacterial quaternary ammonium compounds (QACs) as useful antiseptics, we have identified a starting material bearing four tertiary amines, enabling the rapid synthesis of several tris‐ and tetracationic QACs. Herein we report the synthesis and biological activity of a series of 24 multiQACs deemed the “superT” family, and an investigation of the role of cationic charge in antimicrobial and anti‐biofilm activity, as well as toxicity. This class represents the most potent series of QACs reported to date against methicillin‐resistantStaphylococcus aureus(MRSA), with minimum inhibitory concentrations (MICs) and minimum biofilm eradication concentrations (MBECs) as low as 0.25 and 25 μm, respectively. Based on the significant cell‐surface‐charge differences between bacterial and eukaryotic cells, in certain cases we observed excellent efficacy‐to‐toxicity profiles, exceeding a 100‐fold differential. This work further elucidates the chemical underpinnings of disinfectant efficacy versus toxicity based on cationic charge.
Immunoprecipitation
Authors: Bonifacino Juan S. , Gershlick David C. , Dell'Angelica Esteban C. 
Published: June 2016

AbstractSelective immunoprecipitation of proteins is a useful tool for characterizing proteins and protein‐protein interactions. Clear step‐by‐step protocols are provided for preparing lysates of cells and yeast under a variety of conditions, for binding the antibody to a solid matrix, and for performing the actual immunoprecipitation. An additional method is provided for increasing the specificity of the technique by reprecipitating the antigen with the same or a different antibody. © 2016 by John Wiley & Sons, Inc.
On the Additivity of Molecular Fragment Dipole Moments of 5‐Substituted Indole Derivatives
Authors: Wilke Josefin , Wilke Martin , Brand Christian , Meerts W. Leo , Schmitt Michael 
Published: June 2016

AbstractThe estimate of the magnitude and the orientation of molecular electric dipole moments from the vector sum of bond or fragment dipole moments is a widely used approach in chemistry. However, the limitations of this intuitive model have rarely been tested experimentally, particularly for electronically excited states. Herein, we find rules for a number of indole derivatives by using rotationally resolved electronic Stark spectroscopy and ab initio calculations. Based on a natural‐bond‐orbital analysis, we discuss whether the vector additivity rule can be applied in a given electronic state. From a comparison of the experimental data with ab initio calculations, we deduced that the additivity model does not apply when the flow of electron density from the substituent is opposed to that inside the chromophore.
Efficient and Scalable Production of 2D Material Dispersions using Hexahydroxytriphenylene as a Versatile Exfoliant and Dispersant
Authors: Liu Gang , Komatsu Naoki 
Published: June 2016

AbstractThe front cover artwork is provided by the group of Prof. N. Komatsu (Kyoto University, Japan). The image shows the wet process of graphene exfoliation in the presence of hexahydroxytriphenylene. Read the full text of the article at 10.1002/cphc.201600187.
Light on Chirality: Absolute Asymmetric Formation of Chiral Molecules Relevant in Prebiotic Evolution
Authors: Myrgorodska Iuliia , Meinert Cornelia , Hoffmann Søren V. , Jones Nykola C. , Nahon Laurent , Meierhenrich Uwe J. 
Published: June 2016

AbstractHomochirality is a distinct property of living matter manifested by the unichiral molecular units of genetic material and of proteins, namely, d‐deoxyribose and l‐amino acids. These molecular subunits or their precursors have been shown to form under various prebiotic conditions in racemic form. However, the nature of the chiral influence, which results in the first breakage of molecular symmetry, remains unclear. In this respect, the photochemical model of enantioselection has gained particular importance in recent years. In this model, the interaction of circularly polarized light with racemic molecules generated in the interstellar medium is considered to be the main driving force of enantiomeric discrimination in early prebiotic evolution. Cometary ice simulations, l‐enantio‐enriched amino acids in meteorites, and the detection of circularly polarized electromagnetic radiation in star‐forming regions provide evidence for photochirogenesis. The recent discovery of aldehydes in the cometary nucleus of 67P/Churyumov–Gerasimenko by means of the Cometary Sampling and Composition (COSAC) experiment on board the Rosetta lander Philae, along with the detection of aldehydes and aldopentoses (including chiral ribose) in simulated interstellar ice analogues, provide a direct link between laboratory simulations and cometary composition. In the context of these new findings, this review will provide an overview of the role of chiral molecules in prebiotic evolution with special emphasis on their chiroptical properties and absolute asymmetric photosynthesis.
Intestinal Preparation Techniques for Histological Analysis in the Mouse
Authors: Williams Jonathan M. , Duckworth Carrie A. , Vowell Kate , Burkitt Michael D. , Pritchard D. Mark 
Published: June 2016

AbstractThe murine intestinal tract represents a difficult organ system to study due to its long convoluted tubular structure, narrow diameter, and delicate mucosa which undergoes rapid changes after sampling prior to fixation. These features do not make for easy histological analysis as rapid fixation in situ, or after simple removal without careful dissection, results in poor postfixation tissue handling and limited options for high quality histological sections. Collecting meaningful quantitative data by analysis of this tissue is further complicated by the anatomical changes in structure along its length. This article describes two methods of intestinal sampling at necropsy that allow systematic histological analysis of the entire intestinal tract, either through examination of cross sections (circumferences) by the gut bundling technique or longitudinal sections by the adapted Swiss roll technique, together with basic methods for data collection. © 2016 by John Wiley & Sons, Inc.
Overview of Innovative Mouse Models for Imaging Neuroinflammation
Authors: Caravagna Céline , Jaouën Alexandre , Debarbieux Franck , Rougon Geneviève 
Published: June 2016

AbstractNeuroinflammation demands a comprehensive appraisal in situ to gain in‐depth knowledge on the roles of particular cells and molecules and their potential roles in therapy. Because of the lack of appropriate tools, direct visualization of cells has been poorly investigated up to the present. In this context, reporter mice expressing cell‐specific fluorescent proteins, combined with multiphoton microscopy, provide a window into cellular processes in living animals. In addition, the ability to collect multiple fluorescent colors from the same sample makes in vivo microscopy uniquely useful for characterizing many parameters from the same area, supporting powerful correlative analyses. Here, we present an overview of the advantages and limitations of this approach, with the purpose of providing insight into the neuroinflammation field. We also provide a review of existing fluorescent mouse models and describe how these models have been used in studies of neuroinflammation. Finally, the potential for developing advanced genetic tools and imaging resources is discussed. © 2016 by John Wiley & Sons, Inc.
Pre‐Steady‐State Kinetic Analysis of Single‐Nucleotide Incorporation by DNA Polymerases
Authors: Su Yan , Peter Guengerich F. 
Published: June 2016

AbstractPre‐steady‐state kinetic analysis is a powerful and widely used method to obtain multiple kinetic parameters. This protocol provides a step‐by‐step procedure for pre‐steady‐state kinetic analysis of single‐nucleotide incorporation by a DNA polymerase. It describes the experimental details of DNA substrate annealing, reaction mixture preparation, handling of the RQF‐3 rapid quench‐flow instrument, denaturing polyacrylamide DNA gel preparation, electrophoresis, quantitation, and data analysis. The core and unique part of this protocol is the rationale for preparation of the reaction mixture (the ratio of the polymerase to the DNA substrate) and methods for conducting pre‐steady‐state assays on an RQF‐3 rapid quench‐flow instrument, as well as data interpretation after analysis. In addition, the methods for the DNA substrate annealing and DNA polyacrylamide gel preparation, electrophoresis, quantitation and analysis are suitable for use in other studies. © 2016 by John Wiley & Sons, Inc.
Green Diesel from Kraft Lignin in Three Steps
Authors: Löfstedt Joakim , Dahlstrand Christian , Orebom Alexander , Meuzelaar Gerrit , Sawadjoon Supaporn , Galkin Maxim V. , Agback Peter , Wimby Martin , Corresa Elena , Mathieu Yannick , Sauvanaud Laurent , Eriksson Sören , Corma Avelino , Samec Joseph S. M. 
Published: June 2016

AbstractPrecipitated kraft lignin from black liquor was converted into green diesel in three steps. A mild Ni‐catalyzed transfer hydrogenation/hydrogenolysis using 2‐propanol generated a lignin residue in which the ethers, carbonyls, and olefins were reduced. An organocatalyzed esterification of the lignin residue with an in situ prepared tall oil fatty acid anhydride gave an esterified lignin residue that was soluble in light gas oil. The esterified lignin residue was coprocessed with light gas oil in a continous hydrotreater to produce a green diesel. This approach will enable the development of new techniques to process commercial lignin in existing oil refinery infrastructures to standardized transportation fuels in the future.