bluuebunny/crossref_metadata_2025_split huggingface dataset:
Open access database of raw ultrasonic signals acquired from malignant and benign breast lesions
Authors: Piotrzkowska‐Wróblewska Hanna , Dobruch‐Sobczak Katarzyna , Byra Michał , Nowicki Andrzej 
Published: August 2017

PurposeThe aim of this paper is to provide access to a database consisting of the raw radio‐frequency ultrasonic echoes acquired from malignant and benign breast lesions. The database is freely available for study and signal analysis.Acquisition and validation methodsThe ultrasonic radio‐frequency echoes were recorded from breast focal lesions of patients of the Institute of Oncology in Warsaw. The data were collected between 11/2013 and 10/2015. Patients were examined by a radiologist with 18 yr' experience in the ultrasonic examination of breast lesions. The set of data includes scans from 52 malignant and 48 benign breast lesions recorded in a group of 78 women. For each lesion, two individual orthogonal scans from the pathological region were acquired with the Ultrasonix SonixTouch Research ultrasound scanner using the L14‐5/38 linear array transducer. All malignant lesions were histologically assessed by core needle biopsy. In the case of benign lesions, part of them was histologically assessed and another part was observed over a 2‐year period.Data format and usage notesThe radio‐frequency echoes were stored in Matlab file format. For each scan, the region of interest was provided to correctly indicate the lesion area. Moreover, for each lesion, the BI‐RADS category and the lesion class were included. Two code examples of data manipulation are presented. The data can be downloaded via the Zenodo repository (https://doi.org/10.5281/zenodo.545928) or the website http://bluebox.ippt.gov.pl/~hpiotrzk.Potential applicationsThe database can be used to test quantitative ultrasound techniques and ultrasound image processing algorithms, or to develop computer‐aided diagnosis systems.
Susceptibility tensor imaging and tractography of collagen fibrils in the articular cartilage
Authors: Wei Hongjiang , Gibbs Eric , Zhao Peida , Wang Nian , Cofer Gary P. , Zhang Yuyao , Johnson G. Allan , Liu Chunlei 
Published: August 2017

PurposeTo investigate the B0 orientation‐dependent magnetic susceptibility of collagen fibrils within the articular cartilage and to determine whether susceptibility tensor imaging (STI) can detect the 3D collagen network within cartilage.MethodsMultiecho gradient echo datasets (100‐μm isotropic resolution) were acquired from fixed porcine articular cartilage specimens at 9.4 T. The susceptibility tensor was calculated using phase images acquired at 12 or 15 different orientations relative to B0. The susceptibility anisotropy of the collagen fibril was quantified and diffusion tensor imaging (DTI) was compared against STI. 3D tractography was performed to visualize and track the collagen fibrils with DTI and STI.ResultsSTI experiments showed the distinct and significant anisotropic magnetic susceptibility of collagen fibrils within the articular cartilage. STI can be used to measure and quantify susceptibility anisotropy maps. Furthermore, STI provides orientation information of the underlying collagen network via 3D tractography.ConclusionThe findings of this study demonstrate that STI can characterize the orientation variation of collagen fibrils where diffusion anisotropy fails. We believe that STI could serve as a sensitive and noninvasive marker to study the collagen fibrils microstructure. Magn Reson Med 78:1683–1690, 2017. © 2017 International Society for Magnetic Resonance in Medicine.
Self‐healing polyurethane based on disulfide bond and hydrogen bond
Authors: Jian Xiaoxia , Hu Yiwen , Zhou Weiliang , Xiao Leqin 
Published: August 2017

Tough and transparent polyurethane networks with self‐healing capability at mild temperature conditions were successfully prepared in a 1‐pot procedure. The self‐healing ability of synthesized polyurethane comes from the covalent disulfide metathesis and non‐covalent H‐bonding. The mechanical testing indicates that disulfide metathesis reforms the covalent bonds on a longer time scale, while H‐bonding gives rise to a healing efficiency of around 46% in the early healing processing. The compromise between mechanical performance and healing capability is reached by tailoring the concentration of disulfide. The tensile strength of the sample with 100% self‐heal efficiency can get to 5.01 MPa, which can be explained by higher mobility of polymer chain under ambient temperature from creep testing.
Design, Synthesis and Anti‐Cancer Activities of Benzyl Analogues of Garlic‐Derived Diallyl Disulfide (DADS) and the Corresponding Diselenides
Authors: Bhattacherjee Debojit , Basu Chitra , Bhardwaj Queen , Mal Sourav , Sahu Subhajit , Sur Runa , Bhabak Krishna P. 
Published: August 2017

AbstractThe anti‐cancer activity of garlic mainly arises due to the presence of various organosulfur compounds including diallyl sulfide (DAS), diallyl disulfide (DADS) and diallyl trisulfide (DATS). Herewith, we report a number of 4‐substituted benzyl analogs of DADS and their selenium counterparts for a detailed structure‐activity relationship towards their anti‐proliferative activities in human breast cancer cell lines. Disulfide having 4‐cyano group exhibited highest activity among all disulfides. In contrast, all diselenides exhibited very good anti‐proliferative activities than DADS. Furthermore, unlike disulfides, diselenides were more selective towards cancer cells over normal cells. Some active compounds were further tested for their activities in some organ specific cell lines such as HepG2, PC‐3 and HCT‐116 to understand their efficacy. Elevated level of intracellular reactive oxygen species (ROS) by most of the benzyl diselenides reveals a possible mode of their action. Therefore, this study indicates that the anti‐proliferative activity of DADS can be significantly enhanced upon suitable structural modifications.
Accelerated Strain‐Promoted and Oxidation‐Controlled Cyclooctyne‐Quinone Cycloaddition for Cell Labeling
Authors: George Augustine , Krishna Priya Gnanasekar , Ilamaran Meganathan , Kamini Numbi Ramudu , Ganesh Shanmugam , Easwaramoorthi Shanmugam , Ayyadurai Niraikulam 
Published: August 2017

AbstractWe developed an accelerated strain‐promoted oxidation‐controlled cyclooctyne‐1,2‐quinone cycloaddition (SPOCQ) for protein modification. Here, dopaquinone was generated using potassium nitrosodisulfonate (PTN) in a reaction that is six orders of magnitude faster than the enzymatic one. The dopaquinone generated then reacts with bicyclononyne (BCN) derivatives in the bioconjugation. The PTN yields a single product with defined stereochemistry and temporally controlled conjugation with BCN. The feasibility of this bioconjugation was demonstrated with different proteins. Cell labeling was explored by conjugating annexin‐dibenzocyclooctyne‐PEG4‐fluor545 through the SPOCQ approach for the detection of apoptosis in HeLa cells.
Synthesis of 1,2,3‐Triazolo‐fused‐tetrahydro‐β‐carboline Derivatives via 1,3‐Dipolar Cycloaddition Reaction: Cytotoxicity Evaluation and DNA‐Binding studies
Authors: Nekkanti Shalini , Pooladanda Venkatesh , Veldandi Mamatha , Tokala Ramya , Godugu Chandraiah , Shankaraiah Nagula 
Published: August 2017

AbstractA diverse array of polyheterocyclic annulated 1,2,3‐triazolo‐fused‐tetrahydro‐β‐carboline derivatives have been synthesized via an intramolecular azide‐alkyne cycloaddition (1,3‐dipolar) reaction. Among the hexaheterocyclic series 5 a–r, the compound 5 b (14,15‐dimethoxy‐6,7,12,12b‐tetrahydro‐4H‐benzo[5′,6′][1,2,3]triazolo[5′′,1′′:3′,4′][1,4]diazepino[1′,7′:1,2]pyrido[3,4‐b]indole) displayed significant cytotoxicity against the MCF‐7 cell line with an IC50 value of 6.45 ± 0.37 μM; whereas, among the pentaheterocyclic series 14 a–l, the derivative 14 b ((6R,12aS)‐6‐(3,4‐dimethoxyphenyl)‐7,12,12a,13‐tetrahydro‐4H,6H‐[1,2,3]triazolo[1′′,5′′:4′,5′]pyrazino[1′,2′:1,6]pyrido[3,4‐b]indole) has shown potent cytotoxicity with an IC50 value of 4.01 ± 0.39 μM on the B16F10 cell line. Treatment of MCF‐7 and B16F10 cells with 5 b and 14 b respectively resulted in cell cycle arrest, inhibition of cell migration and colony formation as well as induction of apoptosis. DNA binding affinity estimation by viscometry experiment and molecular modeling revealed their efficient minor groove binding.
Development of a Simple Isatin‐Based Electrochemical Immunosensor on a Screen‐Printed Gold Electrode for Highly Sensitive Detection of Carcinoembryonic Antigen
Authors: Pavithra Masilamani , Muruganand Shanmugam , Parthiban Chokkalingam 
Published: August 2017

AbstractIn this study, an electrochemical immunosensor was designed to exploit for the detection of Carcinoembryonic antigen (CEA) based on simple mercapto‐amine functionalised Isatin compound (R1) on the screen‐printed gold (Au) electrode. Isatin is an endogenous inhibitor with monoamine oxidase B and it has been modified with mercapto‐amine for the functionalization. The self‐assembled monolayer principle (SAM) was utilized to fabricate the sensitive and selective immunosensor electrodes. In electrode fabrication, SAM layer was achieved using covalent linkage of mercapto unit in the Isatin compound on the screen‐printed Au electrode surface. Immobilised amine served as a layer for further binding of biological components. CEA levels were investigated quantitatively using differential pulse voltammetry (DPV) and limit of detection (LoD) was calculated as 0.29 ng mL−1 in a linear concentration range of 50.0 pg mL−1‐100.0 ng mL−1. The performance of this immunosensor were carried out using different proteins and human serum and the selectivity was compared with commercial cystamine.
From Study of Catalytic Hydrogenation to Novel Ratiometric pH Indicators with Quinoline Scaffold
Authors: Petráček Marek , Brulíková Lucie , Motyka Kamil , Hlaváč Jan 
Published: August 2017

AbstractCatalytic hydrogenation of 2‐phenyl‐3‐hydroxyquinolin‐4(1H)‐ones afforded their 5,6,7,8‐tetrahydroquinolin‐4(1H)‐one analogues, which gained stability under acidic as well as alkaline conditions. For some 2‐(4‐aminophenyl) derivatives, unusual N‐isopropyl group assembling was observed in various solvents and therefore was studied in more details. The prepared derivatives were studied in context of their fluorescence properties. Some of them retained the dual character of fluorescent spectra as well as quantum yields similar to their non‐reduced parent compounds and thus were studied as potential ratiometric pH indicators.
Preparation of Chemical Manganese Dioxide by Dilute Sulphuric Acid Pickling of Mn3O4 and Its Application to the Synthesis of LiMn2O4
Authors: Wang Shuangcai , Hu Huiping , Wang Lianbang , Wu Hao , Guo Ting , Cai Xinhui , Yu Peifeng , Liu Yanjun 
Published: August 2017

AbstractChemical manganese dioxide (CMD) was obtained by pickling Mn3O4 with dilute sulfuric acid. Atomic absorption spectroscopy (AAS) showed that S, Na, Ca and Mg impurities in CMD were less than in electrolytic manganese dioxide (EMD). Spinel lithium manganese oxide (LiMn2O4) samples were synthesized using CMD or EMD precursor mixed with Li2CO3 via high temperature solid‐phase reactions. The oxides were applied as the cathode material for lithium ion batteries. X‐ray diffraction (XRD) and scanning electron microscopy (SEM) showed that the crystallinity was high and the size‐distribution was uniform for CMD. The crystallinity of the spinel‐type LiMn2O4 synthesized by the CMD was high as well. Electrochemical tests showed that LiMn2O4 synthesized by the CMD precursor exhibited greater discharge capacity and better rate capability than the sample synthesized by the EMD precursor. Cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) indicated that LiMn2O4 synthesized by CMD or EMD precursor both showed good kinetics for Li+ ion transport, but LiMn2O4 synthesized by the CMD precursor showed a lower electrochemical impedance. Meanwhile, the synthesis process was simple, cheap, and easy for large‐scale production.
Synthesis of New Thieno[3, 2‐b]pyridines and Thieno[2, 3‐b]pyrazines by Palladium Cross‐Coupling.
Authors: Campos Joana F. , Queiroz Maria João R. P. , Berteina‐Raboin Sabine 
Published: August 2017

AbstractSeveral new 3‐(hetero)aryl‐2‐phenylthieno[3, 2‐b]pyridines and 7‐(hetero)aryl‐6‐phenyl thieno[2, 3‐b]pyrazines were prepared by Suzuki cross‐coupling of 3‐bromo‐2‐phenylthieno[3, 2‐b]pyridine and 7‐bromo‐6‐phenylthieno[2, 3‐b]pyrazine and (hetero)arylboronic acids after optimization of the reaction conditions, in moderate to excellent yields. The 3‐ and 7‐brominated compounds were prepared by bromination using Br2 in CH2Cl2 at 0 °C of the 2‐phenylthieno[3, 2‐b]pyridine and 6‐phenylthieno[2, 3‐b]pyrazine, respectively. The latter were synthesized in a two‐step one‐pot procedure by Pd/Cu catalyzed Sonogashira coupling of 2‐bromo‐3‐chloropyridine or 2,3‐dichloropyrazine with phenylacetylene, followed by treatment with Na2S. We show the wide scope of the synthesis of Suzuki cross‐coupling products, after optimization of the reaction conditions, from both brominated biheterocyclic systems and different (hetero)arylboronic acids. The final compounds may show interesting biological activity.
Synthesis, Structure and Spectroscopic Characterization of Halfsandwich RuII Complexes containing 1,8‐Naphthalimide Ligands
Authors: Bacchi Alessia , Capucci Davide , Gatti Anna , Loffi Cecilia , Pioli Marianna , Rogolino Dominga , Terenziani Francesca , Pelagatti Paolo 
Published: August 2017

AbstractA series of half‐sandwich RuII complexes containing two pairs of isomeric pyridine‐functionalized 1,8‐naphthalimides were synthesized and fully characterized. The solid state structures of three out of the eight complexes synthesized were also determined. The ligands were obtained reacting 1,8‐naphtalenic anhydride with 4‐aminopyridine (ligand L1), 3‐aminopyridine (ligand L2), 4‐aminomethylpyridine (ligand L3) and 3‐aminomethylpyridine (ligand L4). Each ligand was used to synthesize a pair of complexes: a neutral one, of formula [(p‐cymene)RuLCl2], and an ionic one, of formula [(p‐cymene)RuL2Cl](TfO). L3 and L4 resulted stronger ligands than L1 and L2, as demonstrated by ligand competition experiments. Analysis of the solution behavior of the complexes indicated that they undergo a fast ligand solvolysis in pure dmso‐d6 or in CDCl3/(CD3)2SO mixtures. The solution stability of the complexes containing ligands L1 and L2 was lower than the stability of the complexes containing ligands L3 and L4. These findings can be rationalized considering the reduced coordinating ability of pyridine when directly attached to the electron withdrawing naphthalimide platform.
Secondary Deuterium Kinetic Isotope Effects in Phospha‐Michael Addition of Tertiary Phosphines to Electron‐Deficient Alkenes
Authors: Salin Alexey V. 
Published: August 2017

AbstractFor the reaction of PPh3 with isotopomeric acrylonitriles in acetic acid solvent, replacement of H by D on the position α to the CN group unexpectedly produced normal secondary kinetic isotope effects (KIEs). These effects were interpreted on the basis of the known vibrational‐rotational coupling between two lowest vibrational modes of acrylonitrile, the in‐plane and out‐of‐plane C–C≡N bendings. For isotopomeric acrylonitriles this coupling leads to the difference in zero‐point energies (ZPEs) for the in‐plane C–C≡N bending, which defines the reaction coordinate during rate‐determining protonation of zwitterionic intermediate at heteroatom by acetic acid. Observation of these effects became possible due to dynamic behavior of the zwitterion, whose lifetime appears to be comparable with the time of the in‐plane bending. The untypical origin of secondary KIEs observed for acrylonitrile was evidenced by the absence of such effect for 2‐d‐acrylamide. Steric isotope effects for the reaction of d15‐PPh3 with a range of electron‐deficient alkenes revealed a significant increase in steric strain in transition state for nucleophilic attack step, when a substituent is introduced to the β‐position of the alkene.
Facile Fabrication of ZnFe2O4‐MWCNTs Composite as an Anode Material for Rechargeable Lithium‐Ion Batteries
Authors: Li Lin‐Lin , Jin Bo , Dou Shi‐Xue , Jiang Qing 
Published: August 2017

AbstractIn recent years, binary transition metal oxides have been more and more widely applied as anode materials for lithium‐ion batteries (LIBs) because they can enhance the electrochemical performance beyond that of single transition metal oxides. In this work, we prepare ZnFe2O4‐MWCNTs composite by synthesizing ZnFe2O4 via a hydrothermal method with further heat‐treatment and a final mixing of ZnFe2O4 with multi‐walled carbon nanotubes (MWCNTs). The ZnFe2O4‐MWCNTs composite as an anode material for LIBs demonstrates high specific capacity (908 mAh g−1 at a current density of 100 mA g−1 after 100 cycles) and good rate performance (566 mAh g−1 even at current density of 750 mA g−1 after 70 cycles). This superior electrochemical performance shows the promise of ZnFe2O4‐MWCNTs composite as an alternative anode material for LIBs.
Construction of Spiropyrido[2, 1‐a]isoquinoline via Tandem Reactions of Huisgen's 1,4‐Dipoles with Various Alkene Dipolarophiles
Authors: Zhang Yuan‐Yuan , Han Ying , Sun Jing , Yan Chao‐Guo 
Published: August 2017

AbstractThe three‐component reaction of isoquinoline, dimethyl acetylenedicarboxylate and arylidene pivaloylacetonitrile in acetonitrile at room temperature afforded pyrido[2, 1‐a]isoquinolines 1 a‐1 j in good yields and with high diastereoselectivity. When arylidene‐substituted 1,3‐indanediones, Meldrum acids, and N,N’‐dimethylbarbituric acids were employed in the reaction, the novel functionalized spiro[indene‐2, 1′‐pyrido[2, 1‐a]isoquinolines] 2 a‐2 j, spiro[pyrido[2, 1‐a]isoquinoline‐1,5′‐[1, 3]dioxanes] 3 a‐3 h and spiro[pyrido[2, 1‐a]isoquinoline‐1,5′‐pyrimidines] 4 a‐4 e were also efficiently synthesized in satisfactory yields. The reaction mechanism included domino formation of Huisgen's 1,4‐dipole, Michael addition and cyclization processes.
Short Naphthalene Organophosphonate Linkers to Microporous Frameworks
Authors: Bulut Aysun , Zorlu Yunus , Wörle Michael , Çetinkaya Ahmet , Kurt Hüseyin , Tam Benjamin , Yazaydın A. Özgür , Beckmann Jens , Yücesan Gündoğ 
Published: August 2017

AbstractWe report two novel 3D porous metal‐organophosphonate metal organic frameworks (MOFs) [{Cu(4, 4’‐bpy)0.5(1,4‐NDPA‐H2)] (1), [{Cu2(4,4’‐bpy)0.5}(1,4‐NDPA)] (2) and a non‐porous [{Cu(4, 4’‐bpy)}(2,6‐NDPA‐H2)] (3) constructed using the structurally rigid 1,4‐naphthalenediphosphonic acid (1,4‐NDPA‐H4) and 2,6‐naphthalenediphosphonic acid (2,6‐NDPA‐H4). 1 and 2 exhibit high surface areas obtained using the structurally rigid and short aromatic organophosphonate linkers with copper. The compound 1 has been further analyzed by TGA and Quantum Design PPMS vibrating sample magnetometer.
Synthesis and Characterization of Mixed Fluorinated Phenylthio‐ Subphthalocyanines
Authors: Sejdarasi Leart , McAuliffe Katherine J. , Corbin Brooke A. , Trivedi Evan R. 
Published: August 2017

AbstractSubphthalocyanines (SPcs), a platform of tripyrrolic macrocycles, offer a combination of optical and physical properties that make them highly applicable in a variety of fields. Incorporation of low‐symmetry elements allows for fine tuning of these properties by synthetic design. Herein, we report the synthesis of mixed fluorinated phenylthio‐ SPcs of the forms SPc(AnB3‐n) and SPc(AnC3‐n) where ‘A’ is tetrafluorobenzo‐, ‘B’ is 1,4‐bis(phenylthio)benzo‐, and ‘C’ is 1,4‐bis(phenylthio)naphtho‐, and n is an integer 1–2. Appended thioethers have a deshielding effect on 19F NMR spectra and prompt a bathochromic shift of electronic absorption and emission. Combined with increased aromaticity in the ‘AC’ series, phenylthio‐ groups shift SPc emission to the edge of the near infrared region (λf=680 nm), highlighting the potential of these molecules for optical imaging.
Controlled Synthesis of Different Morphologies of Cu–MgO and Their Application as Catalysts in Synthesis of 1,2,3‐Triazoles Following Different Pathways
Authors: Roy Biplab , Panda Asit B. , Chattopadhyay Asoke P. 
Published: August 2017

AbstractDifferent morphologies of self‐assembled Cu–MgO nanocrystalline materials are prepared following single step hydrothermal route as well as wet impregnation method from pre‐synthesized MgO. These methodologies are simple and robust. Catalytic performance of MgO based materials is highly controlled by their morphology, crystallinity and particle size etc. The synthesized materials are well characterized by conventional instrumental techniques. Usually flakes formed which self‐assembled into different structures like marigold flower, house‐of‐cards, snowflakes and random flakes in several micron sizes. Porosity is observed for such arrangement. Flakes are porous, formed by large number of nanoparticles as building blocks with numerous edges, corners, step edges and step corners. The efficacy of these catalysts is studied in synthesis of 1,2,3‐triazole derivatives (‘click’ reaction) following various methodologies in environmentally benign, economically cheap solvent, water. The methodologies of convention ‘click’ reaction, which may be superior over our catalysts, were also examined in detail. The catalysts are easily separable and show recyclability with no significant loss in catalytic activity in subsequent cycles.
Effect of Thiolated Ligands in Au Nanowire Synthesis
Authors: Wang Yawen , He Jiating , Yu Suzhu , Chen Hongyu 
Published: August 2017

AbstractThiolated ligands are seldom used as morphology‐directing reagent in the synthesis of Au nanostructures due to their low selectivity toward the different facets. Recently, we developed a thiolated ligands‐induced synthesis of nanowires where the selective Au deposition only occurs at the ligand‐deficient Au–substrate interface. Herein, the structural effect of thiolated ligands in this active surface growth is systematically investigated. It is revealed that their ability of rendering surface is closely related to the molecular structure. Ligands with aromatic backbones are capable of inducing nanowire formation, whereas those with aliphatic backbones cannot, likely because the former can pack better at short time scale of the rapid growth. The substituents of the ligands are critical for the colloidal stability of the final structure. It is further demonstrated that aromatic and aliphatic ligands could be mixed to turn on the continual lateral growth, leading to nanowires with tapered ends. The ligand generality in this growth mode also allows the creation of superhydrophobic surface, with the nanowire forest providing the nanoscale surface roughness and the hydrophobic ligand offering the surface property. These applications of the thiolated ligands in the nanosynthesis open a new approach for controlled synthesis of Au‐based nanostructures with various morphologies and properties.
Readers Theatre Plus Comprehension and Word Study
Authors: Young Chase , Stokes Faida , Rasinski Timothy 
Published: August 2017

AbstractReaders Theatre has been used to introduce critical issues, promote fluency among English learners and non–English learners, teach vocabulary, and integrate content in the classroom. Previous studies of Readers Theatre application have demonstrated an increase in student reading fluency, motivation, and confidence. The focus of this systemic approach to the use of Readers Theatre is to promote comprehension and word study through a gradual release of responsibility model. The authors describe how and why this framework was developed and provide recommendations for implementation.