bluuebunny/crossref_metadata_2025 huggingface dataset:
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

Recurrence 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

Docetaxel, 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

Solanine, 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

This 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

In 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

Early 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

Fluorescein‐, 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

Enantiopure 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

Alkyl 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

A 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

A 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

HfMnSb2 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

The 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 Direct Amination of Allylic Alcohols in Aqueous Media.
Authors: Du Zhengyin , Yan Yufei , Fu Ying , Wang Kehu
Published: October 2016

This amination method has a wide substrate scope and broad functional group tolerance.
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

The 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: A Route to Benzylic Arylsulfoxides from β‐Ketosulfoxides.
Authors: Chang Meng‐Yang , Cheng Yu‐Chieh , Chan Chieh‐Kai
Published: October 2016

A broad spectrum of title compounds can be prepared in the presence of K2CO3 via a sulfonate anion, generated in situ.
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

A 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

The 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

A 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

The 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

A 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

Various 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

The 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

starting 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

The 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

Convenient 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

The 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

A 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

isolation, 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: Rare‐Earth Lean Hard Magnet Compound NdFe1N
Authors: Hirayama Yusuke , Miyake Takashi , Hono Kazuhiro
Published: October 2016

Review: 24 refs.
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

Review: 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

Review: [25 refs.
ChemInform Abstract: Heterogeneous Phase Microwave‐Assisted Reactions under CO2 or CO Pressure
Authors: Gaudino Emanuela Calcio , Rinaldi Laura , Rotolo Laura , Carnaroglio Diego , Pirola Camillo , Cravotto Giancarlo
Published: October 2016

Review: 87 refs.
ChemInform Abstract: Mixed‐Metal or Mixed‐Linker Metal Organic Frameworks as Heterogeneous Catalysts
Authors: Dhakshinamoorthy Amarajothi , Asiri Abdullah M. , Garcia Hermenegildo
Published: October 2016

Review: 123 refs.
ChemInform Abstract: Recent Developments in Enantioselective Yttrium‐Catalyzed Transformations
Authors: Pellissier Helene
Published: October 2016

Review: 244 refs.
ChemInform Abstract: Cyclodiphosphazanes: Options Are Endless
Authors: Balakrishna Maravanji S.
Published: October 2016

Review: 119 refs.
ChemInform Abstract: Lithium/Element Exchange as an Efficient Tool for Accessing Atropoenriched Biaryls via Arynes
Authors: Panossian Armen , Leroux Frederic R.
Published: October 2016

Review: 48 refs.
ChemInform Abstract: Nature‐Inspired Design of Smart Biomaterials Using the Chemical Biology of Nucleic Acids
Authors: Pandian Ganesh N. , Sugiyama Hiroshi
Published: October 2016

Review: [74 refs.
ChemInform Abstract: Nickel Confined in the Interlayer Region of Birnessite: An Active Electrocatalyst for Water Oxidation.
Authors: Strongin Daniel R. , et al.
Published: October 2016

Nickel intercalated birnessite is prepared by ion exchange using an aqueous solution containing NiCl2, N2H4, and synthetic birnessite (10—30 min).
ChemInform Abstract: High‐Throughput Computational Screening of Perovskites for Thermochemical Water Splitting Applications.
Authors: Emery Antoine A. , Saal James E. , Kirklin Scott , Hegde Vinay I. , Wolverton Chris
Published: October 2016

DFT calculations identify 139 ABO3 perovskite materials as potential new candidates for thermochemical water splitting applications.
ChemInform Abstract: Elemental Bromine Production by TiO2 Photocatalysis and/or Ozonation.
Authors: Parrino Francesco , Camera Roda Giovanni , Loddo Vittorio , Palmisano Leonardo
Published: October 2016

Formation of Br2 occurs when a TiO2 aqueous suspension containing KBr and HNO3 is irradiated under near‐UV light in the presence of O2 (40 °C).
ChemInform Abstract: Direct Conjugate Alkylation of α,β‐Unsaturated Carbonyls by TiIII‐Catalyzed Reductive Umpolung of Simple Activated Alkenes.
Authors: Bichovski Plamen , Haas Thomas M. , Keller Manfred , Streuff Jan
Published: October 2016

The development and scope of the titanium(III)‐catalyzed cross‐selective reductive umpolung of Michael‐acceptors is presented.
ChemInform Abstract: Ir(III)‐Catalyzed Carbenoid Functionalization of Benzamides: Synthesis of N‐Methoxyisoquinolinediones and N‐Methoxyisoquinolinones.
Authors: Phatake Ravindra S. , Patel Pitambar , Ramana Chepuri V.
Published: October 2016

Diazotized Meldrum′s acid and various other α‐diazocarbonyl compounds are employed for the carbenoid functionalization of benzamides, heterocyclic amides and aroylamides to give isoquinolinediones, isoquinolinones, and pyridones.
ChemInform Abstract: Aryl—Allene Cyclization via a Hg(OTf)2‐Catalytic Pathway.
Authors: Yamamoto Hirofumi , Ueda Maho , Yamasaki Naoto , Fujii Akiyoshi , Sasaki Ikuo , Igawa Kazunobu , Kasai Yusuke , Imagawa Hiroshi , Nishizawa Mugio
Published: October 2016

A novel Hg(OTf)2‐catalyzed cyclization of 1,1‐disubstituted allenes bearing a tethered electron‐rich arene substituent is developed to give products having a quarternary vinyl substituted carbon center.
ChemInform Abstract: Synthesis of Furo[3,2‐c]coumarin Derivatives Using Visible‐Light‐Promoted Radical Alkyne Insertion with Bromocoumarins.
Authors: Zhou Hui , Deng Xinzhao , Ma Zhenjun , Zhang Aihua , Qin Qixue , Tan Ren Xiang , Yu Shouyun
Published: October 2016

The cytotoxicity of the products is examined, and three of the 17 prepared furo[3,2‐c]coumarins, 12 of which have previously not been reported, reveal a potent activity.
ChemInform Abstract: Iridium Catalysts with f‐Amphox Ligands: Asymmetric Hydrogenation of Simple Ketones.
Authors: Wu Weilong , Liu Shaodong , Duan Meng , Tan Xuefeng , Chen Caiyou , Xie Yun , Lan Yu , Dong Xiu‐Qin , Zhang Xumu
Published: October 2016

A series of tridentate ferrocene aminophosphoxazoline ligands like APX is synthesized and successfully applied to the asymmetric hydrogenation of ketones.
ChemInform Abstract: Synthesis of Coumarin Analogous of Decursivine Derivatives.
Authors: Shastri Samundeeswari , Chougala Bahubali , Holiyachi Megharaja , Shastri Lokesh , Hunnur Ravindra , Sunagar Vinay
Published: October 2016

A five step protocol for the synthesis of two coumarin analogues of decursivine derivatives is described.
ChemInform Abstract: N‐Heterocyclic Olefins as Efficient Phase‐Transfer Catalysts for Base‐Promoted Alkylation Reactions.
Authors: Bluemel Marcus , Crocker Reece D. , Harper Jason B. , Enders Dieter , Nguyen Thanh V.
Published: October 2016

The novel application of N‐heterocyclic olefins (NHOs) as phase‐transfer organocatalysts for synthetically important alkylation reactions is developed.
ChemInform Abstract: N,N′‐Dioxide/Nickel(II)‐Catalyzed Asymmetric Diels—Alder Reaction of Cyclopentadiene with 2,3‐Dioxopyrrolidines and 2‐Alkenoyl Pyridines.
Authors: Lu Yan , Zhou Yuhang , Lin Lili , Zheng Haifeng , Fu Kai , Liu Xiaohua , Feng Xiaoming
Published: October 2016

The scalable procedure provides chiral bridged compounds in high yields and with very high diastereomeric and enantiomeric excesses.
ChemInform Abstract: Palladium Catalyzed C—H Bond Acetoxylation: Isoxazolinyl as a Directing Group.
Authors: Geng Caiwei , Jiang Minghui , Feng Lifei , Jiao Peng
Published: October 2016

All yields are based on recovered starting material.
ChemInform Abstract: Iodide‐Catalyzed Synthesis of Secondary Thiocarbamates from Isocyanides and Thiosulfonates.
Authors: Mampuys Pieter , Zhu Yanping , Sergeyev Sergey , Ruijter Eelco , Orru Romano V. A. , Van Doorslaer Sabine , Maes Bert U. W.
Published: October 2016

This novel facile synthesis of S‐alkyl and S‐aryl thiocarbamates proceeds under mild conditions and tolerates a wide range of functional groups.
ChemInform Abstract: Manganese‐Catalyzed Regiospecific sp3 C—S Bond Formation Through C—C Bond Cleavage of Cyclobutanols.
Authors: Ren Rongguo , Wu Zhen , Zhu Chen
Published: October 2016

A diverse range of primary or secondary alkyl thioethers is prepared in a scalable manner.
ChemInform Abstract: Transition‐Metal‐Free Synthesis of Homo‐ and Hetero‐1,2,4‐triaryl Benzenes by an Unexpected Base‐Promoted Dearylative Pathway.
Authors: Rehan Mohammad , Maity Sanjay , Morya Lalit Kumar , Pal Kaushik , Ghorai Prasanta
Published: October 2016

An unprecedented approach for the synthesis of homo‐ and heterotriaryl benzenes is developed by using a base‐mediated reaction of either α‐aryl cinnamyl alcohols or α,γ‐diaryl propanones.
ChemInform Abstract: Copper‐Catalyzed Trifluoromethylation of Alkenes with Redox‐Neutral Remote Amidation of Aldehydes.
Authors: Cheng Cungui , Liu Shuiyou , Lu Danyang , Zhu Gangguo
Published: October 2016

Substrates containing aldehyde and alkene functionalities undergo trifluoromethylation and amidation under mild conditions in an one‐pot manner.
ChemInform Abstract: Synthesis of γ,δ‐Unsaturated α‐Aminoaldehydes Using a Copper‐Catalyzed Vinylation Reaction Followed by a Claisen Rearrangement.
Authors: Ricard Simon , Sanapo Gabriel F. , Rahem Neel , Daoust Benoit
Published: October 2016

A high‐yielding copper‐catalyzed coupling reaction of β‐iodoenamides with various allylic is described which is applicable to the transformation of alkyl or aryl alcohols, albeit generally low product yields are obtained.
ChemInform Abstract: A Base‐Catalyzed, Domino Aldol/Hetero‐Diels—Alder Synthesis of Tricyclic Pyrano[3,4‐c]chromenes in Glycerol.
Authors: Parmar Bhagyashri D. , Sutariya Tushar R. , Brahmbhatt Gaurangkumar C. , Parmar Narsidas J. , Kant Rajni , Gupta Vivek K.
Published: October 2016

The exclusive formation of a single diastereoisomer is discussed on the basis of X‐ray and NMR data along with the isolation and characterization of the primary aldol condensation intermediate.
ChemInform Abstract: RhI‐Catalyzed Cyclizative Addition Reaction of 1,6‐Enyne and Sulfonyl Chloride by Carbophilic Activation.
Authors: Dang Mengyao , Hou Longlei , Tong Xiaofeng
Published: October 2016

A broad spectrum of 1,6‐enyne substrates which include an N‐Tos or an oxygen function in the chain is treated with TosCl (II) and some analogues such as (XI) to produce highly functionalized sulfonylated pyridine or pyran structures bearing an unsaturated side chain.
ChemInform Abstract: A General, Effcient and Green Procedure for Synthesis of Dihydropyrimidine‐5‐carboxamides in Low Melting Betaine Hydrochloride/Urea Mixture.
Authors: Liu Peng , Hao Jianwu , Zhang Zhanhui
Published: October 2016

A new, environment‐friendly protocol is described for the synthesis of dihydropyrimidine‐5‐carboxamides in a low‐melting deep eutectic solvent from a mixture of betaine hydrochloride with urea.
ChemInform Abstract: Tandem Synthesis of 10‐Dimethylaminobenzo[h]quinazolines from 2‐Ketimino‐1,8‐bis(dimethylamino)naphthalenes via Nucleophilic Replacement of the Unactivated Aromatic NMe2 Group.
Authors: Mikshiev Vladimir Y. , Antonov Alexander S. , Pozharskii Alexander F.
Published: October 2016

The lithiation of bis(dimethylamino)naphthalene derived ketimines and subsequent addition of aromatic and heteroaromatic nitriles results in a [2 + 2 + 2] cascade annulation to form benzo[h]quinazolines in moderate to good yields.
ChemInform Abstract: Divergent Synthesis of Quinazolin‐4(3H)‐ones and Tryptanthrins Enabled by a tert‐Butyl Hydroperoxide/K3PO4‐Promoted Oxidative Cyclization of Isatins at Room Temperature.
Authors: Jia Feng‐Cheng , Zhou Zhi‐Wen , Xu Cheng , Wu Yan‐Dong , Wu An‐Xin
Published: October 2016

A facile synthesis of various functionalized quinazolinones from commercially available isatins and amidine hydrochlorides is presented.
ChemInform Abstract: A Formal Enantiospecific Synthesis of 7,20‐Diisocyanoadociane.
Authors: Roosen Philipp C. , Vanderwal Christopher D.
Published: October 2016

A highly stereocontrolled synthesis of a late‐stage intermediate, the “Corey dione” (I), from which 7,20‐diisocyanoadociane (DICA) (II) is made, is reported.
ChemInform Abstract: Mn4+ Doped (NH4)2TiF6 and (NH4)2SiF6 Micro‐Crystal Phosphors: Synthesis Through Ion Exchange at Room Temperature and their Photoluminescence Properties.
Authors: Xi Luqing , Pan Yuexiao , Huang Shaoming , Liu Guokui
Published: October 2016

In view of a large scale industrial production, the title microcrystalline Mn4+‐doped phosphors are prepared by ion exchange of (NH4)2TiF6 or (NH4)2SiF6 (commercial products) with KMnO4 or K2MnF6 in aq.
ChemInform Abstract: Metal Compounds of Boron‐Substituted Alkoxide (′Boroxide′) Ligands
Authors: Coles Martyn P.
Published: October 2016

Review: 42 refs.
ChemInform Abstract: Macropolyhedral Metallaboranes ‐ Aspects of Preparation, Constitution and Structure
Authors: Kennedy John D.
Published: October 2016

Review: 180 refs.
ChemInform Abstract: Synthesis of Esters via sp3 C—H Functionalization
Authors: Majji Ganesh , Rout Saroj K. , Rajamanickam Suresh , Guin Srimanta , Patel Bhisma K.
Published: October 2016

Review: [71 refs.
ChemInform Abstract: Block Copolymer Synthesis by Controlled/Living Radical Polymerization in Heterogeneous Systems
Authors: Jennings J. , He G. , Howdle S. M. , Zetterlund P. B.
Published: October 2016

Review: 280 refs.
ChemInform Abstract: Inorganic Materials Acting as Heterogeneous Photocatalysts and Catalysts in the Same Reactions
Authors: Palmisano L. , Garcia‐Lopez E. I. , Marci G.
Published: October 2016

Review: 45 refs.
SIMULATION OF IONOSPHERIC HEATING BASED ON SAMI2 MODEL
Authors: Xing MENG , Han‐Xian FANG , Li‐Bin WENG , Si‐Cheng WANG
Published: October 2016

With artificial heating term (Qhf) added in the electron energy equation of SAMI2 model, the disturbance amplitude of electron temperature and density along field line is simulated. The effects of disturbances under different heating conditions are also compared. The results show that the terrestrial ionospheric plasma can be heated by powerful high‐frequency radio waves, which can result in the rising of the temperature of electron in the whole field line, especially at the heated spot where electron temperature enhances more than 3 times; the pressure balance is broken as the increase in the electron temperature, which leads to plasma diffusion and then perturbation of electron density occurred; electron density gradient perpendicular to magnetic field line changes in accordance with the perturbation of electron density; the perturbation amplitude of electron temperature and density decreases during the heating time, which gradually becomes saturated. Electron temperature and density have a nonlinear relationship with the intensity of heating source.
MATCHED MULTI‐TRACE WEIGHTED RMS GEOMETRY REPEATABILITY FOR TIME‐LAPSE SEISMIC
Authors: Feng‐Shu DONG , Li‐Yun FU , Hai‐Yan QUAN , Ke‐Tong DONG , Xiu‐Yan XIN
Published: October 2016

Time‐lapse, or 4D, seismic technology is a tool to monitor underground change for oil field maximum recovery or other purpose especially associated to human being activities. Repeatability is a key issue for time‐lapse seismic and geometry repeatability is a fundamental element to essentially affect the repeatability. There were many practices to improve repeatability during data processing, but geometry repeatability needs to be acquired during monitor data acquisition phase. Theory and practice shows that geometry repeatability determined in acquisition cannot be thoroughly improved in processing. Thus, geometry repeatability analysis is important. Multi‐trace geometry repeatability rises from practical situation. Multi‐trace geometry repeatability is important for overall geometry repeatability evaluation. The difference or repeatability of time‐lapse seismic data is evaluated by normalized RMS difference (NRMS). The definition of multi‐trace repeatability can be derived from NRMS for time‐lapse seismic/4D seismic data, showing that multi‐trace repeatability is weighted RMS of all single traces. Noting that the uncertainty of the match between monitor data and baseline data and that probable data size difference between monitor and baseline, the repeatability of the best baseline‐based match with imaginary data for mismatch was employed. Derived from previous researches, the linear model of relationship between seismic data repeatability and geometry repeatability was established, and the weighted RMS geometry repeatability of the best baseline‐based match with extrapolation for mismatch was obtained as the equivalent of the repeatability of the best baseline‐based match with imaginary data for mismatch. The weighting coefficient is determined on the basis of NMO and its stretch. Application study was also conducted based on real data to demonstrate that the new geometry repeatability can be utilized to valuate geometry repeatability during 4D monitor seismic data acquisition. The application study showed that one display of the multi‐trace geometry repeatability upon best baseline‐based match with extrapolation for mismatch can indicate repeatability and effect of fold of coverage simultaneously. The calculation in application was simplified for speed improvement, which is not yet the main point in this article.
New Oral Anticoagulants in Nonvalvular Atrial Fibrillation
Authors: Urooj Fatima , Kulkarni Abhishek , Stapleton Dwight , Kaluski Edo
Published: October 2016

The choice of an oral anticoagulant (OAC) for patients with nonvalvular atrial fibrillation (NVAF) is a major and complex clinical decision taking into account the individual risk‐benefit ratio and bearing in mind the chronicity of therapy. This review focuses on the safety and efficacy of new oral anticoagulants (NOACs) compared with conventional vitamin K antagonists (VKA) in patients with NVAF. Current data suggest that NOACs are at least as effective and safe as VKAs for most NVAF subjects. The NOACs do not mandate dietary restrictions and regular pharmacodynamic monitoring, and they seem to have lesser incidence of intracranial or fatal bleeding when compared with VKAs. However, both dabigatran 150 twice daily and rivaroxaban have a slightly higher incidence of gastrointestinal bleeding when compared with VKAs. The article will delineate the current knowledge as well as scientific gaps related to the choice and dosage of anticoagulation regimens for various NVAF subsets and will address certain common clinical scenarios requiring special considerations. The article also addresses the shortcomings of NOACs: lack of therapeutic pharmacokinetic and pharmacodynamic targets, absence of tools to assess compliance and efficacy, rigid and limited dosage options, and absence of effective and inexpensive reversal agents.
Bone mineral density is associated with left ventricular diastolic function in women
Authors: Wang Rui‐tao , Li Xue‐song , Zhang Ji‐rong , Sun Yuxiang , Yu Kai‐jiang , Liu Tiemin
Published: October 2016

Background

Low bone mineral density (BMD) and left ventricular (LV) diastolic function are associated with heart failure. However, little is known about the association between BMD and LV diastolic function.

Hypothesis

BMD is independently related to LV diastolic function in women.

Methods

We conducted a cross‐sectional study of 432 women. Brachial‐ankle pulse wave velocity (baPWV) and BMD measurements were performed. LV diastolic function and structure were assessed by echocardiographic examination.

Results

BaPWV and the percentage of LV diastolic dysfunction increased with progressive bone loss. Moreover, partial correlation analysis demonstrated that BMD at spine L2–4 and at femoral neck were correlated with baPWV and LV diastolic function parameters after adjusting covariates. Multivariate logistic regression analysis revealed that osteoporosis was independently associated with LV diastolic dysfunction in women.

Conclusions

Osteoporosis is independently associated with LV diastolic dysfunction in women. A prospective study is needed to elucidate the effects of BMD on cardiac function in women.
Special considerations for therapeutic choice of non–vitamin K antagonist oral anticoagulants for Japanese patients with nonvalvular atrial fibrillation
Authors: Okumura Ken , Hori Masatsugu , Tanahashi Norio , John Camm A.
Published: October 2016

Nonvalvular atrial fibrillation (AF) is a risk factor for stroke in elderly patients. Although warfarin has been used to prevent AF‐associated stroke for more than 50 years, non–vitamin K antagonist oral anticoagulants (NOACs) including dabigatran, rivaroxaban, apixaban, and edoxaban recently have been developed to overcome the disadvantages of warfarin. Based on the results of NOAC clinical trials, Savelieva and Camm made recommendations regarding selection of NOACs in patients with nonvalvular AF. Recent accumulating evidence indicates that NOACs work differently in Asian and non‐Asian individuals. In this review, we discuss the results of the large, randomized, phase 3 international clinical trials on NOACs, the subanalyses of Asians, and a Japanese phase 3 clinical trial of rivaroxaban to discriminate Japanese patient–specific characteristics with regard to their responses to NOACs and make recommendations. Our analysis revealed that rivaroxaban decreased the incidence of gastrointestinal (GI) bleeding compared with warfarin in Japanese patients. The efficacy results showed that rivaroxaban significantly decreased the incidence of ischemic stroke (hazard ratio: 0.40, 95% confidence interval: 0.17‐0.96) compared with warfarin. The lower incidence of GI bleeding and ischemic stroke may be specific to Japanese patients. Based on the present and previous results, the following recommendations regarding the selection of NOACs are added in the Camm chart for Japanese patients: edoxaban for patients with a high risk of bleeding and those with a previous stroke; and rivaroxaban for patients with a high risk of ischemic stroke and a low bleeding risk, and those with previous GI bleeding.
Functional anatomy of the mammalian sperm flagellum
Authors: Lindemann Charles B. , Lesich Kathleen A.
Published: October 2016

The eukaryotic flagellum is the organelle responsible for the propulsion of the male gamete in most animals. Without exception, sperm of all mammalian species use a flagellum for swimming. The mammalian sperm has a centrally located 9 + 2 arrangement of microtubule doublets and hundreds of accessory proteins that together constitute an axoneme. However, they also possess several characteristic peri‐axonemal structures that make the mammalian sperm tail function differently. These modifications include nine outer dense fibers (ODFs) that are paired with the nine outer microtubule doublets of the axoneme, and are anchored in a structure called the connecting piece located at the base. The presence of the ODFs and connecting piece, and the absence of a basal body, dictate that physical forces generated by the dynein motors are transmitted to the base of the flagellum through the ODFs. Mammalian sperm flagella also possess a mitochondrial and a fibrous sheath that encircle most of the axoneme. These sheaths and the ODFs add mechanical rigidity to the flagellum creating the functional effect of increasing bend wavelength, which requires the entrainment of more dynein motors in the production of a single wave. The sheaths also act as a retinaculum and maintain the integrity of the central axoneme when large bending torques are generated by dynein. Large torque production is crucial to the process of hyperactivation and the unique motility transitions associated with effective fertilizing capacity. Consequently, these specialized anatomical features are essential for the effective interaction of sperm with the female reproductive tract and ovum. © 2016 Wiley Periodicals, Inc.
Designing Simple Lipidated Lysines: Bifurcation Imparts Selective Antibacterial Activity
Authors: Ghosh Chandradhish , Konai Mohini Mohan , Sarkar Paramita , Samaddar Sandip , Haldar Jayanta
Published: October 2016

In the global effort to thwart antimicrobial resistance, lipopeptides are an important class of antimicrobial agents, especially against Gram‐negative infections. In an attempt to circumvent their synthetic complexities, we designed simple membrane‐active agents involving only one amino acid and two lipid tails. Herein we show that the use of two short lipid tails instead of a single long one significantly increases selective antibacterial activity. This study yielded several selective antibacterial compounds, and investigations into the properties of this compound class were conducted with the most active compound. Fluorescence spectroscopic studies revealed the capacity of the representative compound to cause depolarization and permeabilization of bacterial cell membranes. This membrane‐active nature of the compound imparts superior activity against persister cells, biofilms, and planktonic cells. Topical application of the compound decreased bacterial burden in mice inflicted with burn‐infections caused by Acinetobacter baumannii. We anticipate that the design principles described herein will direct the development of several antimicrobial agents of clinical importance.
An Enzyme‐Directed Imidazoquinoline for Cancer Immunotherapy
Authors: Hantho Joseph D. , Strayer Timothy A. , Nielsen Amy E. , Mancini Rock J.
Published: October 2016

Herein we report the synthesis and activity of an enzyme‐directed immunostimulant with immune cell activation mediated by β‐galactosidase, either exogenously added, or on B16 melanoma cells. Covalent attachment of a β‐galactopyranoside to an imidazoquinoline immunostimulant at a position critical for activity resulted in a pro‐immunostimulant that could be selectively converted by β‐galactosidase into an active immunostimulant. The pro‐immunostimulant exhibited β‐galactosidase‐directed immune cell activation as measured by NF‐κB transcription in RAW‐Blue macrophages or cytokine production (TNF, IL‐6, IL‐12) in JAWSII monocytes. Conversion of the pro‐immunostimulant into an active immunostimulant was also found to occur using β‐galactosidase‐enriched B16 melanoma cells. In co‐culture experiments with either immune cell line, β‐galactosidase‐enriched B16 cells effected activation of bystander immune cells.
The role of postoperative chemoradiation for oropharynx carcinoma: A critical appraisal revisited
Authors: Cooper Jay S. , Fortpied Catherine , Gregoire Vincent , Le Quynh‐Thu , Pajak Thomas F. , Zhang Qiang (Ed) , Bernier Jacques
Published: October 2016

A recent review in this journal in which the National Comprehensive Cancer Network's recommendations (based in part on results from the Radiation Therapy Oncology Group 9501 and European Organization for Research and Treatment of Cancer 22931 trials) were criticized warrants comment. To address many of the points and misinterpretations raised in that review, additional data are provided that convincingly support the use of concomitant chemotherapy and radiotherapy in patients who have good performance status and high‐risk pathologic features after surgery for mucosal head and neck squamous cell carcinoma.