bluuebunny/crossref_metadata_2025_split huggingface dataset:
Public Figure Attacks in the United States, 1995–2015
Authors: Meloy J. Reid , Amman Molly 
Published: October 2016

AbstractAn archival descriptive study of public figure attackers in the United States between 1995 and 2015 was undertaken. Fifty‐six incidents were identified, primarily through exhaustive internet searches, composed of 58 attackers and 58 victims. A code book was developed which focused upon victims, offenders, pre‐attack behaviors including direct threats, attack characteristics, post‐offense and other outcomes, motivations and psychological abstracts. The average interrater agreement for coding of bivariate variables was 0.835 (intraclass correlation coefficient). The three most likely victim categories were politicians, judges, and athletes. Attackers were males, many with a psychiatric disorder, most were grandiose, and most had both a violent and nonviolent criminal history. The known motivations for the attacks were often angry and personal, the most common being dissatisfaction with a judicial or other governmental process (23%). In only one case was the primary motivation to achieve notoriety. Lethality risk during an attack was 55%. Collateral injury or death occurred in 29% of the incidents. Only 5% communicated a direct threat to the target beforehand. The term “publicly intimate figure” is introduced to describe the sociocultural blurring of public and private lives among the targets, and its possible role in some attackers' perceptions and motivations. Copyright © 2016 John Wiley & Sons, Ltd.
A cross‐sectional study comparing a blood test for methylated BCAT1 and IKZF1 tumor‐derived DNA with CEA for detection of recurrent colorectal cancer
Authors: Young Graeme P. , Pedersen Susanne K. , Mansfield Scott , Murray David H. , Baker Rohan T. , Rabbitt Philippa , Byrne Susan , Bambacas Libby , Hollington Paul , Symonds Erin L. 
Published: October 2016

AbstractRecurrence will develop in 30–50% of colorectal cancer (CRC) cases despite apparent clearance following treatment. Carcinoembryonic antigen (CEA) is the only guideline‐recommended blood test for monitoring cases for recurrence, but its sensitivity and specificity are suboptimal. This observational study compared a novel 2‐gene (methylated BCAT1 and IKZF1 DNA) blood test with CEA for detection of recurrent CRC. We conducted a paired comparison of the BCAT1/IKZF1 test with CEA (cut‐off 5 ng/mL) in blood from patients in remission after treatment for primary CRC and undergoing surveillance. Blood collected in the 12 months prior to or 3 months after complete investigational assessment of recurrence status were assayed and the results compared by McNemar's test. Of 397 patients enrolled, 220 underwent satisfactory assessment for recurrence and 122 had blood testing performed within the prescribed period. In 28 cases with recurrent CRC, CEA was positive in 9 (32%; 95% CI 16–52%) compared to 19 (68%; 95% CI 48–84%) positive for methylated BCAT1/IKZF1 (P = 0.002). All samples that were CEA positive were also BCAT1/IKZF1 positive. In 94 patients without clinically detectable recurrence, CEA was positive in 6 (6%, 95% CI 2–13%) and BCAT1/IKZF1 in 12 (13%, 95% CI 7–21%), P = 0.210. The odds ratio of a positive CEA test for recurrence was 6.9 (95% CI 2–22) compared to 14.4 (5–39) for BCAT1/IKZF1. The BCAT1/IKZF1 test was more sensitive for recurrence than CEA and the odds of recurrence given a positive test was twice that of CEA. The BCAT1/IKZF1 test should be further considered for monitoring cases for recurrence.
Docetaxel, Cisplatin, and 5‐Fluorouracil as perioperative chemotherapy compared with surgery alone for resectable gastroesophageal adenocarcinoma
Authors: Fiteni Frédéric , Paget‐Bailly Sophie , Messager Mathieu , N'Guyen Thierry , Lakkis Zaher , Mathieu Pierre , Lamfichekh Najib , Picard Alain , Benzidane Bilell , Cléau Denis , Bonnetain Franck , Borg Christophe , Mariette Christophe , Kim Stefano 
Published: October 2016

AbstractDocetaxel, cisplatin, and 5‐fluorouracil (DCF) significantly improved overall survival in metastatic gastroesophageal adenocarcinoma (GEA). The aim of this study was to assess efficacy of DCF regimen as perioperative chemotherapy compared with surgery alone in patients with resectable GEA. We identified 789 patients who underwent surgery alone and 62 patients who received at least one cycle of DCF regimen consisting of docetaxel (75 mg/m2 on day 1), cisplatin (75 mg/m2 on day 1), and 5‐fluorouracil (750 mg/m2/day on continuous perfusion on days 1 to 5), every 3 weeks. Overall survival was compared using Cox proportional hazards regression model with adjustments for confounding factors provided by two propensity score methods: inverse probability of treatment weighting (IPTW) and matched‐pair analysis. In Cox multivariate analysis weighted by IPTW, DCF group was associated with favorable overall survival (OS) compared with the surgery group (HR = 0.59; 95% CI, 0.45–0.78; P = 0.0003). For the matched‐pair analysis (comparing 41 patients for each group with the same baseline characteristics), median OS was 22 months and 57 months for the surgery group and DCF group, respectively (log‐rank P = 0.0011). In Cox multivariate analysis, DCF group was associated with favorable OS compared with the surgery group (HR = 0.29; 95% IC, 0.14–0.64; P = 0.0019). In the matched‐pair population, major complications (Dindo‐Clavien grade 3–5) arose in six patients (14.63%) in the DCF group and seven patients (17.07%) in the surgery group (P = 1). Perioperative DCF chemotherapy is superior to surgery alone in terms of OS. A randomized phase III trial should compare DCF to standard perioperative regimens.
Inhibition of prostate cancer growth by solanine requires the suppression of cell cycle proteins and the activation of ROS/P38 signaling pathway
Authors: Pan Bin , Zhong Weifeng , Deng Zhihai , Lai Caiyong , Chu Jing , Jiao Genlong , Liu Junfeng , Zhou Qizhao 
Published: October 2016

AbstractSolanine, a naturally steroidal glycoalkaloid in nightshade (Solanum nigrum Linn.), can inhibit proliferation and induce apoptosis of tumor cells. However, the mechanism of solanine‐suppressing prostate cancer cell growth remains to be elucidated. This study investigates the inhibition mechanism of solanine on cancer development in vivo and in cultured human prostate cancer cell DU145 in vitro. Results show that solanine injection significantly suppresses the tumor cell growth in xenograft athymic nude mice. Solanine regulates the protein levels of cell cycle proteins, including Cyclin D1, Cyclin E1, CDK2, CDK4, CDK6, and P21 in vivo and in vitro. Also, in cultured DU145 cell, solanine significantly inhibits cell growth. Moreover, the administration of NAC, an active oxygen scavenger, markedly reduces solanine‐induced cell death. Blockade of P38 MAPK kinase cannot suppress reactive oxygen species (ROS), but can suppress solanine‐induced cell apoptosis. Also, inhibition of ROS by NAC inactivates P38 pathway. Taken together, the data suggest that inhibition of prostate cancer growth by solanine may be through blocking the expression of cell cycle proteins and inducing apoptosis via ROS and activation of P38 pathway. These findings indicate an attractive therapeutic potential of solanine for suppression of prostate cancer.
Computational mental simulation: A review
Authors: Polceanu Mihai , Buche Cédric 
Published: October 2016

AbstractThis paper is dedicated to the study of existing approaches that explicitly use mental simulation. Current implementations of the mental simulation paradigm, taken together, computationally address many aspects suggested by cognitive science research. Agents are able to find solutions to nontrivial scenarios in virtual or physical environments. Existing systems also learn new behavior by imitation of others similar to them and model the behavior of different others with the help of specialized models, culminating with the collaboration between agents and humans. Approaches that use self models are able to mentally simulate interaction and to learn about their own physical properties. Multiple mental simulations are used to find solutions to tasks, for truth maintenance, and contradiction detection. However, individual approaches do not cover all of the contexts of mental simulation and most rely on techniques which are only suitable for subsets of obtainable functionality. This review spans through four perspectives on the functionality of state‐of‐the‐art artificial intelligence applications, while linking them to cognitive science research results. Finally, an overview identifies the main gaps in existing literature on computational mental simulation and provides our suggestions for future development.
Real‐virtual fusion model for traffic animation
Authors: Yang Xin , Su Wanchao , Deng Jian , Jin Xiaogang , Tan Guozhen , Pan Zhigeng 
Published: October 2016

AbstractIn this paper, we present an innovative, animated traffic simulation method that we designed to feature an enhanced sense of reality and diversity of traffic flows. Instead of the typical one‐off initialization, our simulation method includes continuous, real trajectory data input providing an interactive control function that maximizes the characteristics of real‐world traffic flows. Our fusion models represent a comprehensive integration of the interactions among real‐data‐driven and virtual vehicles, thus depicting accurately the irregularity of traffic flows. Test results showed that animations generated via our proposed method depict inverse and irregular vehicle driving behaviors throughout the entire traffic flow.
Benzothiazole‐Based Neutral Ratiometric Fluorescence Sensor for Amyloid Fibrils
Authors: Mora Aruna K. , Murudkar Sushant , Alamelu A. , Singh Prabhat K. , Chattopadhyay Subrata , Nath Sukhendu 
Published: October 2016

AbstractEarly detection of amyloid fibrils is very important for the timely diagnosis of several neurological diseases. Thioflavin‐T (ThT) is a gold standard fluorescent probe for amyloid fibrils and has been used for the last few decades. However, due to its positive charge, ThT is incapable of crossing the blood–brain barrier and cannot be used for in vivo imaging of fibrils. In the present work, we synthesized a neutral ThT derivative, 2‐[2’‐Me,4’‐(dimethylamino)phenyl]benzothiazole (2Me‐DABT), which showed a strong affinity towards the amyloid fibrils. On association with the amyloid fibrils, 2Me‐DABT not only showed a large increase in its emission intensity, but also, unlike ThT, a large blueshift in its emission spectrum was observed. Thus, unlike ThT, 2Me‐DABT is a potential candidate for the ratiometric sensor of the amyloid fibrils. Detailed photophysical properties of 2Me‐DABT in amyloid fibrils and different solvent media were studied to understand its sensory activity. Fluorescence resonance energy transfer (FRET) studies suggested that the sites of localization for ThT and 2Me‐DABT in amyloid fibrils are not same and their average distance of separation in amyloid fibrils was determined. The experimental data was nicely supported by molecular docking studies, which confirmed the binding of 2Me‐DABT in the inner core of the amyloid fibrils.
Synthesis of Fluorescent Gelators and Direct Observation of Gelation with a Fluorescence Microscope
Authors: Hanabusa Kenji , Ueda Takuya , Takata Shingo , Suzuki Masahiro 
Published: October 2016

AbstractFluorescein‐, benzothiazole‐, quinoline‐, stilbene‐, and carbazole‐containing fluorescent gelators have been synthesized by connecting gelation‐driving segments, including l‐isoleucine, l‐valine, l‐phenylalanine, l‐leucine residue, cyclo(l‐asparaginyl‐l‐phenylalanyl), and trans‐(1R,2R)‐diaminocyclohexane. The emission behaviors of the gelators were investigated, and their gelation abilities studied against 15 solvents. The minimum gel concentration, variable‐temperature spectroscopy, transmission electron microscopy, scanning electron microscopy, fluorescence microscopy (FM), and confocal laser scanning microscopy (CLSM) were used to characterize gelation. The intermolecular hydrogen bonding between the N−H and C=O of amide, van der Waals interactions and π–π stacking play important roles in gelation. The colors of emission are related to the fluorescence structures of gelators. Fibrous aggregates characterized by the color of their emission were observed by FM. 3D images are produced by the superposition of images captured by CLSM every 0.1 μm to a settled depth. The 3D images show that the large micrometer‐sized aggregates spread out three dimensionally. FM observations of mixed gelators are studied. In the case of gelation, two structurally related gelators with the same gelation‐driving segment lead to the gelators build up of the same aggregates through similar hydrogen‐bonding patterns. When two gelators with structurally different gelation‐driving segments induce gelation, the gelators build up each aggregate through individual hydrogen‐bonding patterns. A fluorescent reagent that was incorporated into the aggregates of gels through van der Waals interactions was developed. The addition of this fluorescent reagent enables the successful observation of nonfluorescent gelators’ aggregates by FM.
Enantiopure Alleno‐Acetylenic Helicages Containing Multiple Binding Sites
Authors: Gidron Ori , Jirásek Michael , Wörle Michael , Diederich François 
Published: October 2016

AbstractEnantiopure alleno‐acetylenic ligands, containing two chiral allene moieties, assemble diastereoselectively with zinc(II) ions to form trinuclear triple‐stranded helicates, featuring two internal cavity binding sites (“helicages”). The addition of cycloalkanes or heteroalicycles results in inclusion complex formation with two guest molecules bound in one helicate. While no positive allosteric effects were observed, the chiroptical responses increased strongly upon complexation, with guest‐induced circular dichroism (ICD) signals reaching up to ΔΔϵ=205 m−1 cm−1. The highest binding affinity was observed for six‐membered 1,4‐dichalcogens, with binding constants (K1) of up to 2400 m−1 for 1,4‐oxathiane in CD3OD. The X‐ray co‐crystal structure of 1,4‐dioxane bound to a dinuclear triple‐stranded helicate confirmed the previously predicted guest orientation inside the helicage, with the two oxygen atoms facing towards the electropositive zinc(II) metal centers.
Propargyl‐Assisted Selective Amidation Applied in C‐terminal Glycine Peptide Conjugation
Authors: Vong Kenward King Ho , Maeda Satoshi , Tanaka Katsunori 
Published: October 2016

AbstractAlkyl esters, such as propargyl esters, typically lack the electron‐withdrawing inductive effects needed to participate in nucleophilic acyl substitution reactions. Herein, we report an unusual observation in which glycine propargyl ester derivatives displayed selective, base‐independent reactivity towards linear alkylamines under mild, metal‐free conditions. Through global reaction route mapping (GRRM) modeling calculations, it is predicted that these observations may be governed by factors related to hydrogen‐bonding and intermolecular interactions, rather than electron‐withdrawing inductive effects. Based on this concept of propargyl‐assisted selective amidation, a direct application was made to develop a novel site‐specific C‐terminal glycine peptide bioconjugation technique as a proof‐of‐concept, which relies upon the selective reactivity of glycine propargyl esters over that of aspartate and glutamate side‐chain‐linked propargyl esters.
Carbazoles from the [4C+2C] Reaction of 2,3‐Allenols with Indoles
Authors: Guo Binjie , Huang Xin , Fu Chunling , Ma Shengming 
Published: October 2016

AbstractA mild and efficient method using readily available 1‐aryl‐2,3‐allenols and unprotected‐N indoles, Au+‐catalyzed cyclization, and aromatization to afford the final [4C+2C] products, carbazoles 4, with an excellent selectivity, is reported. The reaction demonstrates excellent regioselectivity and allows the N−H unit to undergo reactivity unprotected. A mechanism involving a spiropolycyclic intermediate has been proposed and synthetic application is also demonstrated.
ChemInform Abstract: Experimental and Theoretical Study of the Electronic Structure and Optical Spectral Features of PbIn6Te10.
Authors: Reshak A. H. , Parasyuk Oleg. V. , Kamarudin H. , Kityk I. V. , Alahmed Zeyad A. , AlZayed Nasser S. , Auluck Sushil , Fedorchuk Anatolii O. , Chysky J. 
Published: October 2016

AbstractA single crystal of the title compound is prepared by the Bridgman—Stockbarger method from the elements and characterized by XRD, absorption coefficient measurements in the energy range of 0.82—1.13 eV, and full potential linear augmented plane wave computations.
ChemInform Abstract: HfMnSb2: A Metal‐Ordered NiAs‐Type Pnictide with a Conical Spin Order.
Authors: Murakami Taito , Yamamoto Takafumi , Tassel Cedric , Takatsu Hiroshi , Ritter Clemens , Ajiro Yoshitami , Kageyama Hiroshi 
Published: October 2016

AbstractHfMnSb2 is synthesized by solid state reaction of stoichiometric mixtures of the elements (pressed pellet, evacuated quartz tube, 800 °C, 48 h).
ChemInform Abstract: Catalytic Enantioselective Conjugate Alkynylation of α,β‐Unsaturated 1,1,1‐Trifluoromethyl Ketones with Terminal Alkynes.
Authors: Sanz‐Marco Amparo , Blay Gonzalo , Munoz M. Carmen , Pedro Jose R. 
Published: October 2016

AbstractThe first catalytic enantioselective conjugate alkynylation of α,β‐unsaturated 1,1,1‐trifluoromethyl ketones is presented to furnish various alkynes bearing a propargylic stereogenic center with excellent enantioselectivities.
ChemInform Abstract: Palladium‐Catalyzed Two‐Component Domino Coupling Reaction of (Z)‐β‐Bromostyrenes with Norbornenes: Synthesis of 1,5‐Enynes.
Authors: Mao Jiangang , Li Huifang , Wen Herui , Li Min , Fan Xiaolin , Bao Weiliang 
Published: October 2016

AbstractThe coupling reaction of (Z)‐β‐bromostyrenes (II) with norbornenes (I) and (IV) is accompanied by a cis‐to‐trans alkene isomerization leading to the corresponding 1,5‐enynes (III) and (V), respectively.
ChemInform Abstract: Efficient Synthesis of Organic Sulfonic Acid Derivatives Containing Dithiocarbamate Side Chains.
Authors: Li Bowen , Zhou Shuo , Wang Shucheng , Sun Xingyi , Ge Zemei , Li Runtao 
Published: October 2016

AbstractA broad spectrum of potassium salts such as (IV), (VI) and (VIII) is readily available under mild conditions A).
ChemInform Abstract: Umpolung Synthesis of Diarylmethylamines via Palladium‐Catalyzed Arylation of N‐Benzyl Aldimines.
Authors: Li Minyan , Yucel Baris , Jimenez Jacqueline , Rotella Madeline , Fu Yue , Walsh Patrick J. 
Published: October 2016

AbstractThe arylation of unsymmetrical aldimines (IV) and (VI) proceeds regioselectively at the sterically less hindered position leading to imines (V) and (VII), whilst the reaction of aldimine (VIII) affords a mixture of isomers (IX) and (X).
ChemInform Abstract: Sulfur‐Containing Derivatives from (1R)‐(‐)‐Myrtenal Designed as Chiral Ligands.
Authors: Zielinska‐Blajet Mariola , Rewucki Pawel , Walenczak Szymon 
Published: October 2016

AbstractA series of title ligands is prepared and tested in the classical reaction of alkene (II) with diester (III).
ChemInform Abstract: Synthesis of Thiophenes in a Deep Eutectic Solvent: Heterocyclodehydration and Iodocyclization of 1‐Mercapto‐3‐yn‐2‐ols in a Choline Chloride/Glycerol Medium.
Authors: Mancuso Raffaella , Maner Asif , Cicco Luciana , Perna Filippo M. , Capriati Vito , Gabriele Bartolo 
Published: October 2016

AbstractThe deep eutectic solvent system can be recycled and reused several times without any loss in yields.
ChemInform Abstract: Direct Synthesis of Highly Substituted Pyrroles and Dihydropyrroles Using Linear Selective Hydroacylation Reactions.
Authors: Majhail Manjeet K. , Ylioja Paul M. , Willis Michael C. 
Published: October 2016

AbstractA broad spectrum of aldehyde substrates bearing mostly additional ‐S‐Me functions reacts with propargylic amines in the presence of RHC under modified conditions A), C), D) or E) to produce linear hydroacylation adducts with high selectivity.
ChemInform Abstract: Synthesis of 2,2,2‐Trifluoroethyl 1H‐Pyrazole Carboxylates: Insight into the Mechanism of Trichloromethyl Group Hydrolysis.
Authors: Goncalves Helena A. , Pereira Bruna A. , Teixeira Wystan K.O. , Moura Sidnei , Flores Darlene C. , Flores Alex F.C. 
Published: October 2016

AbstractVarious 2,2,2‐trifluoroethyl 1H‐pyrazole carboxylates are prepared by cyclocondensation reactions.
ChemInform Abstract: Straightforward Synthesis of Diverse Dipyrazolylmethane Derivatives and Their Application for Fluorescence Sensing of Cu2+ Ions.
Authors: Kaliraj Kaliappan , Xia Likai , Edison Thomas Nesakumar Jebakumar Imman , Lee Yong Rok 
Published: October 2016

AbstractThe novel synthesized compounds, especially compound (IVe), exhibit excellent turn‐off fluorescence sensing properties for Cu2+ ions.
ChemInform Abstract: Substituted 4‐(1H‐1,2,3‐Triazol‐1‐yl)‐tetrafluorobenzoates: Selective Synthesis and Structure.
Authors: Solodukhin Nikolai N. , Borisova Nataliya E. , Churakov Andrei V. , Zaitsev Kirill V. 
Published: October 2016

Abstractstarting from azidotetrafluorobenzoate and various substituted alkynes by copper‐catalyzed click chemistry reaction
ChemInform Abstract: DBU Mediated Confluent Approach for the One Pot Synthesis of Novel 5‐Hydroxy Pyrazolo[1,2‐a][1,2,4]triazoles and Their Dehydration to Novel Pyrazolo[1,2‐a][1,2,4]triazole Derivatives.
Authors: Gupta Shruti , Saluja Pooja , Khurana Jitender M. 
Published: October 2016

AbstractThe interesting pharmacophore (IV) (16 examples) is readily available by reaction of equimolar amounts of phenylurazole (I), alkyl acetoacetates (II) and aromatic aldehydes under mild conditions.
ChemInform Abstract: Iron(III) Chloride‐Catalyzed Tandem Aza‐Prins/Friedel—Crafts Cyclization of 2‐Arylethyl‐2,3‐butadienyl Tosylamides and Aldehydes — An Efficient Synthesis of Benzo[f]isoquinolines.
Authors: Lin Weilong , Cheng Jiajia , Ma Shengming 
Published: October 2016

AbstractConvenient conditions using TmsCl as dehydrating agent and FeCl3 as the catalyst are developed for the tandem aza‐Prins/Friedel—Crafts cyclization of allenes of type (I) and aldehydes.
ChemInform Abstract: Copper‐Catalyzed Synthesis of 1‐Amino‐5‐arylindazolo[3,2‐b]quinazolin‐7(5H)‐ones via a Ring‐Opening Reaction of 4‐Halogenated Isatin.
Authors: Ma Yong‐Gang , Li Chao , Yao Chang‐Sheng , Wang Xiang‐Shan 
Published: October 2016

AbstractThe pharmaceutically important N‐heterocyclic scaffold is readily available via a domino reaction which includes an Ullmann‐type C—N coupling.
ChemInform Abstract: Palladium‐Catalyzed Enantioselective Hydrophosphination of Enones for the Synthesis of Chiral P,N‐Compounds.
Authors: Song Yu‐Chuan , Dai Guo‐Fa , Xiao Fanhua , Duan Wei‐Liang 
Published: October 2016

AbstractA method that involved an asymmetric 1,4‐addition of secondary phosphines to β‐(2‐pyridyl)‐substituted enones by using a tridentate pincer palladium catalyst is developed.
ChemInform Abstract: Jatrophane and Ingenane‐Type Diterpenoids from Euphorbia kansui Inhibit the LPS‐Induced NO Production in RAW 264.7 Cells
Authors: Lee Jin Woo , Jin Qinghao , Jang Hari , Lee Dongho , Han Sang Bae , Kim Youngsoo , Hong Jin Tae , Lee Mi Kyeong , Hwang Bang Yeon 
Published: October 2016

Abstractisolation, structure determination and inhibitory effects on LPS‐induced nitric oxide production of the two new jatrophane‐type diterpenoids kanesulones A and B (I) and sixteen known diterpenoids
ChemInform Abstract: Hydrogen‐Bond Promoted Nucleophilic Fluorination: Concept, Mechanism and Applications in Positron Emission Tomography
Authors: Lee Ji‐Woong , Oliveira Maria Teresa , Jang Hyeong Bin , Lee Sungyul , Chi Dae Yoon , Kim Dong Wook , Song Choong Eui 
Published: October 2016

AbstractReview: recent breakthroughs in SN2‐type nucleophilic fluorination reactions using alkali metal fluorides promoted by protic solvents; 50 refs.
ChemInform Abstract: The Rakicidin Family of Anticancer Natural Products — Synthetic Strategies Towards a New Class of Hypoxia‐Selective Cytotoxins
Authors: Tsakos Michail , Jacobsen Kristian M. , Yu Wanwan , Villadsen Nikolaj L. , Poulsen Thomas B. 
Published: October 2016

AbstractReview: [25 refs.