bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Stereodefined Acyclic Polysubstituted Silyl Ketene Aminals: Asymmetric Formation of Aldol Products with Quaternary Carbon Stereocenters.
Authors: Nairoukh Zackaria , Marek Ilan
Published: March 2016

Stereodefined polysubstituted silyl ketene aminals are easily regioselectively and stereoselectively obtained and utilized in Mukaiyama aldol reactions with various aliphatic aldehydes involving the formation of quaternary carbon centers in α‐position to the carbonyl groups.
ChemInform Abstract: Silyloxy Amino Alcohol Organocatalyst for Enantioselective 1,3‐Dipolar Cycloaddition of Nitrones to α,β‐Unsaturated Aldehydes.
Authors: Kwon Eunsang , et al.
Published: March 2016

A series of optically active amino alcohols is prepared and tested as a suitable agent in the title process.
ChemInform Abstract: An Organocatalytic Regiospecific Synthesis of 1,5‐Disubstituted 4‐Thio‐1,2,3‐triazoles and 1,5‐Disubstituted 1,2,3‐Triazoles.
Authors: Ramachary Dhevalapally B. , Krishna Patoju M: , Gujral Jagjeet , Reddy G. Surendra
Published: March 2016

Various 1‐aryl/alkyl‐2‐(arylthio)ethanones react with different aryl or alkyl azides via [3+2] cycloaddition affording the title thiotriazoles which are converted into 1,5‐disubstituted triazoles using Raney‐Nickel.
ChemInform Abstract: Synthesis and Properties of Energetic 1,2,4‐Oxadiazoles.
Authors: Hall C. Dennis , et al.
Published: March 2016

A facile synthesis of a series of 3,5‐diaryl‐1,2,4‐oxadiazoles bearing nitro groups in the aromatic rings starting from various amidoximes and N‐acylbenzotriazoles is reported.
ChemInform Abstract: Enantioselective Rh(I)‐Catalyzed Addition of Arylboronic Acids to Cyclic Ketimines.
Authors: Kong Jongrock , McLaughlin Mark , Belyk Kevin , Mondschein Ryan
Published: March 2016

In the presence of the chiral ligand SL‐W001‐1 (Walphos), various target compounds bearing a tertiary stereocenter are obtained with excellent enantioselectivity.
ChemInform Abstract: A Concise and Highly Enantioselective Total Synthesis of (+)‐anti‐ and (‐)‐syn‐Mefloquine Hydrochloride: Definitive Absolute Stereochemical Assignment of the Mefloquines.
Authors: Rastelli Ettore J. , Coltart Don M.
Published: March 2016

A concise asymmetric (<99:1 e.r.) total synthesis of (+)‐anti‐ and (‐)‐syn‐mefloquine hydrochloride (I and II) from a common intermediate is described.
ChemInform Abstract: Synthesis of ortho‐(Fluoro)alkylated Pyridines via Visible Light‐Promoted Radical Isocyanide Insertion.
Authors: Tong Kun , Zheng Tianyi , Zhang Yan , Yu Shouyun
Published: March 2016

This regiospecific synthesis of highly functionalized pyridine derivatives proceeds via visible light‐promoted radical isocyanide insertions with Umemoto′s reagent (II) or (fluoro)alkyl bromides.
ChemInform Abstract: Synthesis and Characterization of New Thiourea and Urea Derivatives of 6‐Fluoro‐3‐(piperidin‐4‐yl)benzo[d] Isoxazole: In vitro Antimicrobial and Antioxidant Activity.
Authors: Sudhamani Hasti , Basha Sk Thaslim , Venkateswarlu Nagam , Vijaya Tartte , Raju Chamarthi Naga
Published: March 2016

A novel class of the title thiourea and urea derivatives are synthesized and evaluated for their antimicrobial and antioxidant activities.
ChemInform Abstract: Iron(III) Phosphate as a Green and Reusable Catalyst for the Synthesis of 4,6‐Disubstituted 2‐Aminopyridine‐3‐carbonitriles
Authors: Zadpour Mahbobeh , Behbahani Farahnaz K.
Published: March 2016

via a simple four‐component reaction
ChemInform Abstract: Friedlaender Annulation: Scope and Limitations of Metal Salt Lewis Acid Catalysts in Selectivity Control for the Synthesis of Functionalized Quinolines.
Authors: Tanwar Babita , Kumar Dinesh , Kumar Asim , Ansari Md. Imam , Qadri Mohammad Mohsin , Vaja Maulikkumar D. , Singh Madhulika , Chakraborti Asit K.
Published: March 2016

Various functionalized quinolines are synthesized by condensation of 2‐aminobenzophenones (I) with β‐ketoesters, β‐diketones or ketones using In(OTf)3 as a very effective catalyst under solvent‐free conditions.
ChemInform Abstract: Facile Catalyst‐Free Synthesis of 2‐Vinylquinolines via a Direct Deamination Reaction Occurring During Mannich Synthesis.
Authors: Xiao Jichao , Huang Ye , Song Zilan , Feng Wenhua
Published: March 2016

2‐Methylquinolines and the analogues react with formaldehyde in the presence of diethylamine and triethylamine in a catalytic amount to afford the target alkenes.
ChemInform Abstract: Chiral Phosphoric Acid Catalyzed Asymmetric Transfer Hydrogenation of Quinolines in a Sustainable Solvent.
Authors: More Ganesh V. , Bhanage Bhalchandra M.
Published: March 2016

The use of diethyl carbonate as a sustainable solvent for enantioselective transfer hydrogenation of 2‐substituted quinolines (I) using a phosphoric acid catalyst and Hantzsch ester as a hydrogen source is reported.
ChemInform Abstract: Breaking and Making of Rings: A Method for the Preparation of 4‐Quinolone‐3‐carboxylic Acid Amides and the Expensive Drug Ivacaftor.
Authors: Vasudevan N. , Jachak Gorakhnath R. , Reddy D. Srinivasa
Published: March 2016

4‐Oxoquinoline‐3‐carboxamides are simply and conveniently obtained from 3‐indoleacetamides by one‐pot oxidative cleavage of the indole ring and subsequent condensation (Witkop—Winterfeldt oxidation).
ChemInform Abstract: One‐Step Direct Functionalization of Tetrahydroisoquinolines under Copper and Acid Catalysis.
Authors: Yi Fengping , Su Juchao , Zhang Songxing , Yi Weiyin , Zhang Lirong
Published: March 2016

Unsubstituted tetrahydroisoquinoline (I) is treated with various benzaldehydes or cyclohexanealdehyde and indoles under conditions A) which include an optimized catalytic system consisting of 3 components.
ChemInform Abstract: Investigation of the Reaction of Dithiocarbamic Acid Salts with Trimethyl Orthoformate and Styrene Epoxide.
Authors: Ziyaei Halimehjani Azim , Hajilou Shayegan Mojtaba , Poshteh Shiva Shakori , Amani Vahid , Notash Behrouz , Hashemi Mohammad M.
Published: March 2016

The title reactions proceed in the presence of BF3·OEt2 to give 1,3‐dithietane or 1,3‐dithiolane derivatives in good yields.
ChemInform Abstract: SO3H‐Functionalized Mesoporous Silica Materials as Solid Acid Catalyst for Facile and Solvent‐Free Synthesis of 2H‐Indazolo[2,1‐b]phthalazine‐1,6,11‐trione Derivatives.
Authors: Amiri Ali Alinasab , Javanshir Shahrzad , Dolatkhah Zahra , Dekamin Mohammad G.
Published: March 2016

Title compounds (IV) are efficiently synthesized under mild and environmentally friendly conditions using an SO3H‐functionalized mesoporous nano‐scaled silica material as catalyst.
ChemInform Abstract: MCM‐41 Supported Perchloric Acid for Efficient Synthesis of 3,4‐Dihydropyrimidin‐2‐(1H)‐ones via Biginelli Reaction.
Authors: Khan Kulsum , Siddiqui Zeba N.
Published: March 2016

The catalyst can be reused up to five cycles without significant loss of activity.
ChemInform Abstract: An Ionic Liquid Catalyzed Reusable Protocol for One‐Pot Synthesis of 2,3‐Dihydroquinazolin‐4(1H)‐one under Mild Conditions.
Authors: Nagarajan S. , Shaikh Tanveer Mahamadali , Kandasamy Elango
Published: March 2016

Title compounds [(III) and (V)] are efficiently synthesized from anthranilamide (I) and aldehydes (II) or ketones (IV), resp., via ionic liquid catalyzed cyclization reaction.
ChemInform Abstract: Regioselective and Diastereoselective Iodocyclization Reaction of Alkene‐Thioureas: An Efficient Approach to Bicyclic β‐Lactams.
Authors: Garud Dinesh R. , Sonawane Amol D. , Auti Jyoti B. , Rode Navnath D. , Ranpise Vinod R. , Joshi Rohini R. , Joshi Ramesh A.
Published: March 2016

3‐Thia‐1‐dethiazephams (II) are synthesized in high regio‐ and stereoselectivity via iodocyclization reaction of alkene‐thioureas (I).
ChemInform Abstract: Making Dimethylamino a Transformable Directing Group by Nickel‐Catalyzed C—N Borylation.
Authors: Zhang Hua , Hagihara Shinya , Itami Kenichiro
Published: March 2016

A novel and efficient C—N borylation of various aryl and benzylic ammonium salts is developed.
ChemInform Abstract: Chemoselective Alkene Hydrosilylation Catalyzed by Nickel Pincer Complexes.
Authors: Buslov Ivan , Becouse Jeanne , Mazza Simona , Montandon‐Clerc Mickael , Hu Xile
Published: March 2016

Terminal alkenes bearing amino, ester, amido, ketone, and formyl groups are selectively hydrosilylated using a bis(amino)amide nickel pincer complex affording the corresponding anti—Markovnikov products.
ChemInform Abstract: Stereospecific Pd‐Catalyzed Intermolecular C(sp3)‐C(sp) Cross‐Coupling of Diarylmethyl Carbonates and Terminal Alkynes under Base‐Free Conditions.
Authors: Tabuchi Sho , Hirano Koji , Miura Masahiro
Published: March 2016

The method can be extended to the conversion of enantioenriched diarylmethyl carbonates affording optically active cross‐coupling products with inversion of the configuration.
ChemInform Abstract: One‐Pot Benzo[b]phosphole Synthesis Through Sequential Alkyne Arylmagnesiation, Electrophilic Trapping, and Intramolecular Phospha‐Friedel—Crafts Cyclization.
Authors: Wu Bin , Chopra Rena , Yoshikai Naohiko
Published: March 2016

The one‐pot multicomponent title reaction allows the synthesis of benzophospholes with various substituents on the P atom, the C‐2 and C‐3 atoms, and the benzo moiety.
ChemInform Abstract: A Greener Procedure for the Synthesis of α‐Ureidophosphonates under Ultrasound Irradiation. An X‐Ray Crystallographic Study.
Authors: Bouzina Abdeslem , Berredjem Malika , Bouacida Sofiane , Merazig Hocine , Aouf Nour‐eddine
Published: March 2016

The title synthesis is a one‐pot three‐component reaction of aldehydes, urea/thiourea, and triethylphosphite under solvent‐ and catalyst‐free conditions leading to the products in excellent yields within short reaction time.
ChemInform Abstract: Polycycloiridals A—D, Four Iridal‐Type Triterpenoids with an α‐Terpineol Moiety from Iris tectorum.
Authors: Yu De‐Quan , et al.
Published: March 2016

The novel iridals, polycycloiridals A—D, are isolated from the rhizomes of Iris tectorum.
ChemInform Abstract: Four New Flavonoids with α‐Glucosidase Inhibitory Activities from Morus alba var. tatarica.
Authors: Zhang Ya‐Long , Luo Jian‐Guang , Wan Chuan‐Xing , Zhou Zhong‐Bo , Kong Ling‐Yi
Published: March 2016

Among the four new flavonoids, mortatarins A—D, mortatarin D (IV) exhibits a significant degree of inhibition against the α‐glucosidase.
ChemInform Abstract: Synthetic Approaches to Intermetallic Clathrates
Authors: Beekman Matt , Nolas George S.
Published: March 2016

Review: [conventional and novel methods for the preparation, crystal growth and charactristic examples]
ChemInform Abstract: Group 14 Inorganic Hydrocarbon Analogues
Authors: Rivard Eric
Published: March 2016

Review: [118 refs.
ChemInform Abstract: Sustainable Metal Alkynyl Chemistry: 3d Metals and Polyaza Macrocyclic Ligands
Authors: Ren Tong
Published: March 2016

Review: 91 refs.
ChemInform Abstract: Reactivity in the Periphery of Functionalized Multiple Bonds of Heavier Group 14 Elements
Authors: Praesang Carsten , Scheschkewitz David
Published: March 2016

Review: [135 refs.
ChemInform Abstract: Imidazolium Ionic Liquids, Imidazolylidene Heterocyclic Carbenes, and Zeolitic Imidazolate Frameworks for CO2 Capture and Photochemical Reduction
Authors: Wang Sibo , Wang Xinchen
Published: March 2016

Review: [recent developments and existing shortcomings of imidazolate motifs for CO2 utilization, with focus on CO2 photoreduction catalysis, 64 refs.
ChemInform Abstract: Thiohydroximic Acids: Versatile Reagents for Organic Synthesis
Authors: Lemercier B�r�nice , Pierce Joshua G.
Published: March 2016

Review: [47 refs.
ChemInform Abstract: Developments in Externally Regulated Ring‐Opening Metathesis Polymerization
Authors: Ogawa Kelli A. , Goetz Adam E. , Boydston Andrew J.
Published: March 2016

Review: [32 refs.
ChemInform Abstract: Defect‐Rich Metal Nanocrystals in Catalysis
Authors: Xie Shuifen , Xu Qingchi , Huang Xiaoqing
Published: March 2016

Review: [30 refs.
ChemInform Abstract: Chemical, Biocidal and Pharmacological Aspects of Origanum Species: A Brief Review
Authors: Joshi Prasoon K. , Joshi Neeta , Tewari Geeta , Tandon Shishir
Published: March 2016

Review: 163 refs.
ChemInform Abstract: Chemical Degradation of Proteins in the Solid State with a Focus on Photochemical Reactions
Authors: Mozziconacci Olivier , Schoneich Christian
Published: March 2016

Review: 175 refs.
ChemInform Abstract: Chemistry of 4‐Oxo‐4H‐1‐benzopyran‐3‐carbonitrile
Authors: Ghosh Chandra Kanta , Chakraborty Amarnath
Published: March 2016

Review: comprehensive survey of the synthesis and chemistry of the title nitrile covering the literature published during 2005‐2014; 70 refs.
ChemInform Abstract: Recent Trends in Chemistry of Ethylidenethiocarbonohydrazides
Authors: Riyadh Sayed M. , Gomha Sobhi M. , Mahmmoud Elmahdi A.
Published: March 2016

Review: synthesis and reactions of ethylidenethiosemicarbazides during the period from 2004 to 2015; 28 refs.
ChemInform Abstract: The Povarov Reaction as a Versatile Strategy for the Preparation of 1, 2, 3, 4‐Tetrahydroquinoline Derivatives: An Overview
Authors: Bello Forero Josue S. , Jones, Joel Jr. , da Silva Flavia M.
Published: March 2016

Review: 102 refs.
ChemInform Abstract: Chemistry of Ketene N,S‐Acetals: An Overview
Authors: Zhang Lin , Dong Jinhuan , Xu Xianxiu , Liu Qun
Published: March 2016

Review: 292 refs.
ChemInform Abstract: Deep Eutectic Solvents (DESs) as Eco‐Friendly and Sustainable Solvent/Catalyst Systems in Organic Transformations
Authors: Khandelwal Sarita , Tailor Yogesh Kumar , Kumar Mahendra
Published: March 2016

Review: 382 refs.
ChemInform Abstract: Asymmetric Cycloaddition Reactions Catalyzed by Bifunctional Thiourea and Squaramide Organocatalysts: Recent Advances
Authors: Held Felix E. , Tsogoeva Svetlana B.
Published: March 2016

Review: 64 refs.
ChemInform Abstract: Zinc, Lithium and Magnesium Carbenoids: Chemical Properties and Relevant Applications in Organic Synthesis
Authors: Nishimura Rodolfo H. V. , Murie Valter E. , Soldi Rafael A. , Lopes Joao L. C. , Clososki Giuliano C.
Published: March 2016

Review: 97 refs.
ChemInform Abstract: Boronic Acids for Fluorescence Imaging of Carbohydrates
Authors: Sun Xiaolong , Zhai Wenlei , Fossey John S. , James Tony D.
Published: March 2016

Review: 91 refs.
ChemInform Abstract: Broadly Neutralizing Antibody‐Guided Carbohydrate‐Based HIV Vaccine Design: Challenges and Opportunities
Authors: Liu Chang‐Cheng , Zheng Xiu‐Jing , Ye Xin‐Shan
Published: March 2016

Review: [51 refs.
ChemInform Abstract: Nanoparticles for Use in Enzyme Assays
Authors: Kim Young‐Pil , Kim Hak‐Sung
Published: March 2016

Review: [55 refs.
ChemInform Abstract: Pursuit of Sustainable Iron‐Based Sodium Battery Cathodes: Two Case Studies
Authors: Barpanda Prabeer
Published: March 2016

Review: structural and electrochemical properties of two types of cathodes, i.e., an oxide system delivering the highest capacity and a polyanionic system having the highest redox potential; 25 refs.
ChemInform Abstract: Do We Need Green Analytical Chemistry?
Authors: Koel Mihkel
Published: March 2016

Review: 47 refs.
ChemInform Abstract: Elusive Reaction Intermediates in Solution Explored by ESI‐MS: Reverse Periscope for Mechanistic Investigations
Authors: Iacobucci Claudio , Reale Samantha , De Angelis Francesco
Published: March 2016

Review: [63 refs.
Fluid structure interaction (FSI) in piston diaphragm pumps
Authors: van Rijswick Ralph , Talmon Arno , van Rhee Cees
Published: March 2016

Piston diaphragm pumps are used worldwide to transport abrasive and/or aggressive slurries against high discharge pressures in the mining, mineral processing, and power industries. The limitation of the strain levels in the elastomer of the diaphragm is of utmost importance for eliminating fatigue failures of the diaphragm and thereby obtaining a high reliability of the piston diaphragm pump. The actual strain levels in the diaphragm are the result of a complex fluid structure interaction mechanism within the pump chamber. Understanding of this fluid structure interaction mechanism has improved in the last decades but is still limited. This paper first describes a detailed dimensional analysis of the fluid structure interaction mechanism and shows how it has been used to evaluate field experiences and how it is currently being used within robust design and selection rules for piston diaphragm pumps. Next, the paper describes the development of a numerical model for modelling the complex fluid structure interaction mechanism which enables the prediction of the resulting diaphragm deformation and strain levels. A novel combination of different immersed boundary approaches is used for modelling the fluid structure interaction phenomena. Furthermore an experimental setup is described whose results are used to validate the results of the numerical model. Some preliminary results of the numerical model and the experiments are shown.
Discovery of New E‐Selectin Inhibitors by Virtual Screening, Fluorescence Binding Assays, and STD NMR Experiments
Authors: Barra Pabla A. , Jiménez Verónica A. , Gavin José A. , Daranas Antonio H. , Alderete Joel B.
Published: March 2016

E‐selectin is an endothelial protein that participates in the adhesion of metastatic cancer cells, and is therefore a relevant target for antitumor therapeutic intervention. In this work, virtual screening was used to identify new E‐selectin inhibitors from a subset of drug‐like molecules retrieved from the ZINC database, including the physiological ligand sLex as reference structure (PDB ID: 1G1T). Four hits were chosen and subjected to molecular dynamics simulations and fluorescence binding assays, which led to the determination of experimental dissociation constants between 333 and 1012 μm. The candidate with the highest affinity was studied by saturation transfer difference (STD) NMR experiments and complete relaxation and conformational exchange matrix analysis of saturation transfer (CORCEMA‐ST), aimed at identifying the preferable binding mode with E‐selectin. Our results revealed that this new inhibitor binds more strongly than sLex in the E‐selectin binding site, in good agreement with simulation predictions. These properties will prove valuable for the future design of drugs that target E‐selectin.
Whole‐exome sequencing of duodenal adenocarcinoma identifies recurrent Wnt/β‐catenin signaling pathway mutations
Authors: Yuan Wei , Zhang Zhou , Dai Binghua , Wei Qing , Liu Jinjin , Liu Yuzhen , Liu Yun , He Lin , Zhou Daizhan
Published: March 2016

BACKGROUND

Genomic alterations of small bowel cancers remain poorly understood due to the rarity of these diseases. In the current study, the authors report the identification of somatic mutations from patients with duodenal adenocarcinoma by whole‐exome sequencing.

METHODS

Whole‐exome sequencing and follow‐up analysis were conducted in 12 matched tumor‐normal tissue duodenal adenocarcinoma tissue pairs to examine the genetic characteristics of this disease. Somatic mutations (single‐nucleotide variants and short insertion/deletions) were obtained and filtered and then searched for recurrently mutated genes and pathways.

RESULTS

An excess of C‐to‐T transitions at the CpG dinucleotide was observed in the substitution of bases. The authors identified recurrent mutations in tumor protein p53 (TP53), KRAS, catenin (cadherin‐associated protein) β‐1 (CTNNB1), AT‐rich interactive domain 2 (ARID2), adenomatous polyposis coli (APC), erb‐b2 receptor tyrosine kinase 2 (ERBB2), ARID1A, cadherin‐related family member 1 (CDHR1), NRAS, Bcl‐2‐related ovarian killer (BOK), radial spoke head 14 homolog (chlamydomonas) (RTDR1), cell division cycle 27 (CDC27), catalytic subunit of phosphoinositide‐3‐kinase (PIK3CA), and SMAD family member 4 (SMAD4). Pathway scan indicated that the Wnt signaling pathway, regulation of the actin cytoskeleton pathway, ErbB signaling pathway, and the pathway of focal adhesion were the most extensively affected pathways.

CONCLUSIONS

This genomic characterization of duodenal adenocarcinoma provides researchers with insight into its somatic landscape and highlights the vital role of the Wnt/β‐catenin signaling pathway. The study data also indicate that duodenal adenocarcinomas have a genetic resemblance to gastric and colorectal cancers. These discoveries may benefit the future development of molecular diagnosis and personalized therapies. Cancer 2016;122:1689‐96. © 2016 American Cancer Society.
Towards the integration of engagement and engineering‐level simulation over real‐time and heterogeneous systems
Authors: Xu Xiao , Li Ge , Yang Mei , Ju Rusheng , Huang Kedi
Published: March 2016

In the context of the joint simulation of engagement and engineering level for weapon system evaluation, engineering models provide precise performance data to support engagement models obtaining more reliable effectiveness results. This paper presents our practice in constructing a synthetic warship anti‐air weapon system simulation platform, which aims to integrate one digital system at engagement level and three hardware‐in‐the‐loop systems at engineering level. Interoperation and real‐time constraints satisfaction are two important issues that we concern. Our approach is to propose a three‐tier hierarchical integration architecture to organize different data flows according to their timing constraints. The architecture assigns each system a proxy to make them mutually compatible. The proxy also provides necessary services to support their joint simulation. Particularly, we adopt a GPS‐based approach to achieve the time synchronization. We also made evaluations on the architecture's performance as well as our integration work. Results show that the two‐level joint simulation could be effectively addressed under our proposed architecture. Copyright © 2016 John Wiley & Sons, Ltd.
On the Simple Complexity of Carbon Monoxide on Oxide Surfaces: Facet‐Specific Donation and Backdonation Effects Revealed on TiO2 Anatase Nanoparticles
Authors: Deiana Chiara , Fois Ettore , Martra Gianmario , Narbey Stéphanie , Pellegrino Francesco , Tabacchi Gloria
Published: March 2016

Atomic‐scale relationships between the structure of TiO2 surfaces and the physicochemical properties of surface sites, functional for titania‐based applications, can be obtained from IR spectroscopy by using carbon monoxide (CO) as a molecular probe. In the literature, it is reported that strongly unsaturated cationic Ti sites (Lewis acid), which are important for reactivity, should cause a large upshift of the CO stretching frequency. By using IR spectroscopy of CO on TiO2 nanomaterials and theoretical analyses, here this model is challenged. It is shown that the stretching frequency of adsorbed CO results from a facet‐dependent and synergic CO–surface donation (upshift) ‐ surface–CO backdonation (downshift) mechanism. These results imply that the interaction of adsorbed molecules with the Ti centers is tuned by the surface oxygen atoms of the first coordination sphere, which play an active role as indirect electron density donors (Lewis base).
Two Six‐Connected MOFs with Distinct Architecture: Synthesis, Structure, Adsorption, and Magnetic Properties
Authors: Ren Guo‐Jian , Han Song‐De , Liu Yan‐Qing , Hu Tong‐Liang , Bu Xian‐He
Published: March 2016

By assembling CoII ions and a combination of 5‐(4‐pyridyl)tetrazole (4‐ptz) and formate ions, two distinct metal–organic frameworks, [Co3(4‐ptz)5(HCOO)(H2O)2] and [Co3(4‐ptz)4(dmf)2(HCOO)2 ] (dmf=N,N′‐dimethylformamide), were synthesized. They were both characterized by single‐crystal X‐ray diffraction, IR spectroscopy, thermogravimetric analysis, and powder X‐ray diffraction. Structural analyses revealed that by slightly modulating the coordination environment of the trinuclear cobalt cluster, two complexes were formed featuring unusual six‐connected nets reminiscent of a pyrazole‐type linear trinuclear cobalt cluster as compared with the classic eight‐connected bcu topology. In addition, [Co3(4‐ptz)5(HCOO)(H2O)2] interacted strongly with CO2, with an adsorption enthalpy of 29.2 kJ mol−1, and in a selectivity study, the uptake ratios of CO2/N2 (from a 15:85 mixture) and CO2/CH4 (50:50 mixture) were 77.6 and 37.7, respectively. Magnetic studies on both complexes revealed weak antiferromagnetic coupling between the CoII ions.
Panchromatic π‐Extended Porphyrins from Conjugation with Quinones
Authors: Banala Srinivas , Wurst Klaus , Kräutler Bernhard
Published: March 2016

Typical porphyrins are coloured compounds due to their characteristic wavelength‐selective visible light absorptions. An exceptional “blackened” ZnII–porphyrin was recently obtained from fusing the β,β′‐positions of the porphyrin core with four quinone units. Here, studies with metal‐free and NiII‐containing analogues are reported. These quinone‐fused porphyrins were prepared from the corresponding β,β′‐tetrasulfolenoporphyrins via thermally generated porphyrindienes, which were trapped by [4+2] cycloaddition as benzoquinone cycloadducts, which were subsequently oxidised. By using this strategy, metal‐free and NiII‐containing porphyrins with one, two, three or four conjugated naphthoquinone moieties were prepared efficiently. The presence of the π‐conjugated naphthoquinone moieties changed the porphyrin chromophores profoundly, giving broadly absorbing “blackened” pigments. The influence of coordinated NiII ions, or of the absence of a metal ion in the modified porphyrin core, on their structural and spectroscopic properties was explored. Blackened quinone‐conjugated porphyrins might be pigments suitable for solar energy conversion. With their unique peripheral functional groups they are also a set of porphyrins “programmed” for further covalent extension. Thus, they are building blocks for the preparation of supra‐porphyrinoid assemblies that might be useful in optoelectronics and in the nanosciences.
Single‐crystal sapphire microstructure for high‐resolution synchrotron X‐ray monochromators
Authors: Asadchikov Victor E. , Butashin Andrey V. , Buzmakov Alexey V. , Deryabin Alexander N. , Kanevsky Vladimir M. , Prokhorov Igor A. , Roshchin Boris S. , Volkov Yuri O. , Zolotov Denis A. , Jafari Atefeh , Alexeev Pavel , Cecilia Angelica , Baumbach Tilo , Bessas Dimitrios , Danilewsky Andreas N. , Sergueev Ilya , Wille Hans‐Christian , Hermann Raphaël P.
Published: March 2016

We report on the growth and characterization of sapphire single crystals for X‐ray optics applications. Structural defects were studied by means of laboratory double‐crystal X‐ray diffractometry and white‐beam synchrotron‐radiation topography. The investigations confirmed that the main defect types are dislocations. The best quality crystal was grown using the Kyropoulos technique. Therein the dislocation density was 102–103 cm−2 and a small area with approximately 2*2 mm2 did not show dislocation contrast in many reflections. This crystal has suitable quality for application as a backscattering monochromator. A clear correlation between growth rate and dislocation density is observed, though growth rate is not the only parameter impacting the quality.
Serotonin receptor 2C regulates neurite growth and is necessary for normal retinal processing of visual information
Authors: Trakhtenberg Ephraim F. , Pita‐Thomas Wolfgang , Fernandez Stephanie G. , Patel Karan H. , Venugopalan Praseeda , Shechter Jesse M. , Morkin Melina I. , Galvao Joana , Liu Xiongfei , Dombrowski Susan M. , Goldberg Jeffrey L.
Published: March 2016

Serotonin (5HT) is present in a subpopulation of amacrine cells, which form synapses with retinal ganglion cells (RGCs), but little is known about the physiological role of retinal serotonergic circuitry. We found that the 5HT receptor 2C (5HTR2C) is upregulated in RGCs after birth. Amacrine cells generate 5HT and about half of RGCs respond to 5HTR2C agonism with calcium elevation. We found that there are on average 83 5HT+ amacrine cells randomly distributed across the adult mouse retina, all negative for choline acetyltransferase and 90% positive for tyrosine hydroxylase. We also investigated whether 5HTR2C and 5HTR5A affect RGC neurite growth. We found that both suppress neurite growth, and that RGCs from the 5HTR2C knockout (KO) mice grow longer neurites. Furthermore, 5HTR2C is subject to post‐transcriptional editing, and we found that only the edited isoform's suppressive effect on neurite growth could be reversed by a 5HTR2C inverse agonist. Next, we investigated the physiological role of 5HTR2C in the retina, and found that 5HTR2C KO mice showed increased amplitude on pattern electroretinogram. Finally, RGC transcriptional profiling and pathways analysis suggested partial developmental compensation for 5HTR2C absence. Taken together, our findings demonstrate that 5HTR2C regulates neurite growth and RGC activity and is necessary for normal amplitude of RGC response to physiologic stimuli, and raise the hypothesis that these functions are modulated by a subset of 5HT+/ChAT‐/TH+ amacrine cells as part of retinal serotonergic circuitry. © 2016 Wiley Periodicals, Inc. Develop Neurobiol 77: 419–437, 2017
Interleukin 33: an innate alarm for adaptive responses beyond Th2 immunity–emerging roles in obesity, intestinal inflammation, and cancer
Authors: Schwartz Christian , O'Grady Katie , Lavelle Ed C. , Fallon Padraic G.
Published: March 2016

Interleukin (IL)‐33, a member of the IL‐1 family, was originally described in 2005 as a potent initiator of type 2 immunity found during allergic inflammation and parasitic infections. IL‐33 has been shown to play important and potent roles bridging innate and adaptive immunity in the regulation of tissue homeostasis, injury, and repair. Recent discoveries have extended the range of functions for IL‐33 beyond type 2 conditions and its role as an alarmin at barrier sites, with emerging central roles for IL‐33 in T‐cell regulation, obesity, viral and tumor immunity. Here, we review the recent advances on how IL‐33 activity is regulated, its immunomodulatory properties on innate and adaptive cells, and the newly discovered roles of IL‐33 in obesity, intestinal inflammation, and tumorigenesis.
The Generation of a Library of ­Bromodomain‐Containing Protein Modulators Expedited by Continuous Flow Synthesis
Authors: Filipponi Paolo , Baxendale Ian R.
Published: March 2016

A continuous flow process delivering key building blocks for a series of BCP modulator libraries is reported. A dynamically mixed flow reactor emerged as a pivotal technology in both synthesis and isolation phases enabling the processing of slurries and suspensions while maintaining high productivity and reliability. Accordingly, the synthesis of common intermediates in flow were employed to further build a pyridazone‐based library (36 compounds) aimed at improving lead compound potency and selectivity while further enabling structure‐activity relationship studies of a new BCP modulator family.
Core‐Scale Experimental and Numerical Investigation on Fluoroboric Acidizing of a Sandstone Reservoir
Authors: Zhou Xiang , Zhang Shicheng , Zhang Xiong , Wang Fei , Lin Hun
Published: March 2016

The acidizing of a sandstone matrix is an effective method to remove formation damage. Standard mud acid was the most commonly used fluid in the early days, however, the rapid decline in productivity after treatment promoted the development of numerous other fluid systems, and the fluoroboric acid system is one of the alternatives. In this work, experimental and numerical studies are conducted to investigate the performance of fluoroboric acid on sandstone. Firstly, the dissolution ability of fluoroboric acid and mud acid are tested at different temperatures. Then core flow tests are accomplished to further study the acidizing effect of fluoroboric acid and mud acid in porous media. Meanwhile, a core‐scale numerical model that considers the hydrolysis of fluoroboric acid and chemical reactions between HF and minerals is developed. The model was used to simulate core acid flooding by fluoroboric acid formulation and mud acid at different temperatures. Both the dissolution tests and core flow tests show that fluoroboric acid performs poorly at room temperature. However, if the temperature increases to 65 °C, the fluoroboric acid system has an equivalent dissolution ability to mud acid and the permeability enhancement by the fluoroboric acid system is 40 % higher than that of mud acid. The simulation results demonstrate that the trend of the core permeability change is consistent with the measured data. The model can provide the porosity and permeability distribution and the permeability profile along the flow direction, and this further explains the acidizing performance from a microscopic view. According to the simulation results, the permeability profile of the fluoroboric acid system is gentle at a higher temperature, which means moderate stimulation and deeper penetration. The simulation results demonstrate that mineral composition has a significant influence on the acidizing performance. With the same porosity, fast‐reacting minerals lead to a better acidizing performance. The model provides a reliable and effective method to optimize fluoroboric acidizing treatment.
Forecasting with Micro Panels: The Case of Health Care Costs
Authors: Fiebig Denzil G. , Johar Meliyanni
Published: March 2016

Micro panels characterized by large numbers of individuals observed over a short time period provide a rich source of information, but as yet there is only limited experience in using such data for forecasting. Existing simulation evidence supports the use of a fixed‐effects approach when forecasting but it is not based on a truly micro panel set‐up. In this study, we exploit the linkage of a representative survey of more than 250,000 Australians aged 45 and over to 4 years of hospital, medical and pharmaceutical records. The availability of panel health cost data allows the use of predictors based on fixed‐effects estimates designed to guard against possible omitted variable biases associated with unobservable individual specific effects. We demonstrate the preference towards fixed‐effects‐based predictors is unlikely to hold in many practical situations, including our models of health care costs. Simulation evidence with a micro panel set‐up adds support and additional insights to the results obtained in the application. These results are supportive of the use of the ordinary least squares predictor in a wide range of circumstances. Copyright © 2016 John Wiley & Sons, Ltd.
Overblown Benefits and Hidden Costs of the Clean Power Plan
Authors: Lesser Jonathan
Published: March 2016

No other environmental issue today is the subject of more discussion, debate, and media coverage than human‐induced climate change, which is supposedly caused by increasing emissions of carbon dioxide (CO2) from the combustion of fossil fuels. These debates cover everything from basic questions of physical measurement—How has the earth's climate changed over time? How may the climate change in the future because of increased CO2 concentrations in the atmosphere?—to debates over how increased CO2 emissions will affect the economic well‐being of future generations.
SOXC and MiR17‐92 gene expression profiling defines two subgroups with different clinical outcome in mantle cell lymphoma
Authors: Roisman Alejandro , Huamán Garaicoa Fuad , Metrebian Fernanda , Narbaitz Marina , Kohan Dana , García Rivello Hernán , Fernandez Isolda , Pavlovsky Astrid , Pavlovsky Miguel , Hernández Luis , Slavutsky Irma
Published: March 2016

Mantle cell lymphoma (MCL) is a heterogeneous B‐cell lymphoid malignancy where most patients follow an aggressive clinical course whereas others are associated with an indolent performance. SOX4, SOX11, and SOX12 belong to SOXC family of transcription factors involved in embryonic neurogenesis and tissue remodeling. Among them, SOX11 has been found aberrantly expressed in most aggressive MCL patients, being considered a reliable biomarker in the pathology. Several studies have revealed that microRNAs (miRs) from the miR‐17‐92 cluster are among the most deregulated miRNAs in human cancers, still little is known about this cluster in MCL. In this study we screened the transcriptional profiles of 70 MCL patients for SOXC cluster and miR17, miR18a, miR19b and miR92a, from the miR‐17‐92 cluster. Gene expression analysis showed higher SOX11 and SOX12 levels compared to SOX4 (P ≤ 0.0026). Moreover we found a negative correlation between the expression of SOX11 and SOX4 (P < 0.0001). miR17‐92 cluster analysis showed that miR19b and miR92a exhibited higher levels than miR17 and miR18a (P < 0.0001). Unsupervised hierarchical clustering revealed two subgroups with significant differences in relation to aggressive MCL features, such as blastoid morphological variant (P = 0.0412), nodal presentation (P = 0.0492), CD5+ (P = 0.0004) and shorter overall survival (P < 0.0001). Together, our findings show for the first time an association between the differential expression profiles of SOXC and miR17‐92 clusters in MCL and also relate them to different clinical subtypes of the disease adding new biological information that may contribute to a better understanding of this pathology. © 2016 Wiley Periodicals, Inc.
Identification by FFPE RNA‐Seq of a new recurrent inversion leading to RBM10‐TFE3 fusion in renal cell carcinoma with subtle TFE3 break‐apart FISH pattern
Authors: Just Pierre‐Alexandre , Letourneur Franck , Pouliquen Christelle , Dome Florence , Audebourg Anne , Biquet Philippe , Vidaud Michel , Terris Benoit , Sibony Mathilde , Pasmant Eric
Published: March 2016

Gene fusions involving TFE3 defines the “Xp11.2 translocations” subclass of renal cell carcinomas (RCCs) belonging to the MiT family translocation RCC. Four recurrent TFE3 fusion partners were identified to date: PRCC, ASPSCR1, SFPQ, and NONO. Break‐apart TFE3 fluorescence in situ hybridization (FISH) on formalin‐fixed and paraffin‐embedded (FFPE) tissue sections is currently the gold standard for identification of TFE3 rearrangements. Herein, we report a case of RCC with a morphological appearance of Xp11.2 translocation, and positive TFE3 immunostaining. By FISH, the spots constituting the split signal were barely spaced, suggestive of a chromosome X inversion rather than a translocation. We performed RNA‐seq from FFPE material to test this hypothesis. RNA‐seq suggested a fusion of RBM10 gene exon 17 (Xp11.23) with TFE3 gene exon 5 (Xp11.2). RBM10‐TFE3 fusion transcript was confirmed using specific RT‐PCR. Our work showed that RNA‐Seq is a robust technique to detect fusion transcripts from FFPE material. A RBM10‐TFE3 fusion was previously described in single case of Xp11.2 RCC. Although rare, RBM10‐TFE3 fusion variant (from chromosome X paracentric inversion), therefore, appears to be a recurrent molecular event in Xp11.2 RCCs. RBM10‐TFE3 fusion should be added in the list of screened fusion transcripts in targeted molecular diagnostic multiplex RT‐PCR. © 2016 Wiley Periodicals, Inc.
Geochemical alteration of wellbore cement by CO2 or CO2 + H2S reaction during long‐term carbon storage
Authors: Um Wooyong , Rod Kenton A. , Jung Hun Bok , Brown Christopher F.
Published: March 2016

Cement samples were reacted with CO2‐saturated synthetic groundwater, with or without added H2S (1 wt.%), at 50°C and 10 MPa for up to 13 months (CO2 only) or for up to 3.5 months (CO2 + H2S) under static conditions. After the reaction, X‐ray computed tomography (XCT) images revealed that calcium carbonate (CaCO3) precipitation occurred extensively within the fractures in the cement matrix, while micro‐fractures with aperture size <∼50 μm at the cement‐basalt interface were completely sealed by CaCO3 precipitation. Exposure of a fractured cement sample to CO2‐saturated groundwater (50°C and 10 MPa) over a period of 13 months demonstrated progressive healing of cement fractures by CaCO3 precipitation. After reaction with CO2 + H2S‐saturated groundwater, CaCO3 precipitation also occurred within the cement fracture as well as along the cement‐basalt caprock interfaces. X‐ray diffraction analysis showed that major cement carbonation products of the CO2 + H2S‐saturated groundwater were calcite, aragonite, and vaterite, all consistent with cement carbonation by CO2‐saturated groundwater. While pyrite is thermodynamically favored to form, due to the low H2S concentration it was not identified by XRD in this study. The cement alteration rate into neat Portland cement samples by CO2‐saturated groundwater was similar at ∼0.02 mm/d based on XCT images, regardless of the cement‐curing pressure and temperature (P‐T) conditions, or the presence of H2S in the groundwater. The experimental results imply that wellbore cement with micro‐fractures within the cement matrix or along the cement‐caprock interface (<∼200 μm aperture under current experimental conditions) is likely to be healed by CaCO3 precipitation during exposure to CO2‐ or CO2 + H2S‐saturated groundwater. Published 2016. This article is a U.S. Government work and is in the public domain in the USA
Impact of p16 expression, nodal status, and smoking on oncologic outcomes of patients with head and neck unknown primary squamous cell carcinoma
Authors: Dixon Peter R. , Au Michael , Hosni Ali , Perez–Ordonez Bayardo , Weinreb Ilan , Xu Wei , Song Yuyao , Huang Shao Hui , O'Sullivan Brian , Goldstein David P. , de Almeida John R.
Published: March 2016

Background

The prognostic significance of human papillomavirus (HPV) in the context of head and neck squamous cell carcinoma (HNSCC) of cancer of unknown primary (CUP) origin is unclear.

Methods

Patients treated for CUP at the Princess Margaret Cancer Centre between 2001 and 2013 were stratified by p16 status and retrospectively reviewed.

Results

Of the 73 patients included, those with p16‐positive tumors (63%) had less advanced nodal status (N1–N2b; 52% vs 89%; p = .035) and less aggressive treatment. Patients with p16‐positive tumors had improved 3‐year disease‐free survival (DFS; 79% vs 56%; p = .012) independent of nodal status and treatment in multivariable analysis (hazard ratio [HR] = 0.27; 95% confidence interval [CI] = 0.08–0.95).

Conclusion

Among patients with CUP, p16‐positive status is an independent predictor of DFS but not overall survival (OS). © 2016 Wiley Periodicals, Inc. Head Neck, 2016 © 2016 Wiley Periodicals, Inc. Head Neck 38: 1347–1353, 2016
Personality and gender differences in global perspective
Authors: Schmitt David P. , Long Audrey E. , McPhearson Allante , O'Brien Kirby , Remmert Brooke , Shah Seema H.
Published: March 2016

Men's and women's personalities appear to differ in several respects. Social role theories of development assume gender differences result primarily from perceived gender roles, gender socialization and sociostructural power differentials. As a consequence, social role theorists expect gender differences in personality to be smaller in cultures with more gender egalitarianism. Several large cross‐cultural studies have generated sufficient data for evaluating these global personality predictions. Empirically, evidence suggests gender differences in most aspects of personality—Big Five traits, Dark Triad traits, self‐esteem, subjective well‐being, depression and values—are conspicuouslylargerin cultures with more egalitarian gender roles, gender socialization and sociopolitical gender equity. Similar patterns are evident when examining objectively measured attributes such as tested cognitive abilities and physical traits such as height and blood pressure. Social role theory appears inadequate for explaining some of the observed cultural variations in men's and women's personalities. Evolutionary theories regarding ecologically‐evoked gender differences are described that may prove more useful in explaining global variation in human personality.
Preliminary evidence on the use of telehealth in an outpatient behavior clinic
Authors: Suess Alyssa N. , Wacker David P. , Schwartz Jessica E. , Lustig Nicole , Detrick Jessica
Published: March 2016

Previous studies have shown that telehealth can be an effective way to deliver behavior‐analytic services. In this study, we provided a demonstration of the use of telehealth to assess and initiate treatment of problem behavior in an outpatient clinic. We coached parents of children with autism via telehealth to conduct functional analyses during 1 appointment that lasted 1 hr and subsequently coached them as they implemented functional communication training during 3 subsequent appointments (15 min each). Social functions were identified for most children, and problem behavior was reduced by an average of 65.1%.
Efficacious and save use of biosimilar filgrastim for hematopoietic progenitor cell chemo‐mobilization with vinorelbine in multiple myeloma patients
Authors: Maul Julia‐Tatjana , Stenner‐Liewen Frank , Seifert Burkhardt , Pfrommer Sarah , Petrausch Ulf , Kiessling Michael K. , Schanz Urs , Nair Gayathri , Mischo Axel , Taverna Christian , Schmidt Adrian , Bargetzi Mario , Stupp Roger , Renner Christoph , Samaras Panagiotis
Published: March 2016

Biosimilars are increasingly being licensed as equipotent drugs, although efficacy and safety data are not available for all clinical indications. Accordingly, the efficacy of the biosimilar filgrastim Zarzio® combined with vinorelbine for chemo‐mobilization of CD34+ hematopoietic progenitor cells (HPC) in patients with multiple myeloma has not been evaluated yet. We compared the efficacy of vinorelbine combined with this biosimilar filgrastim for HPC mobilization to vinorelbine plus original filgrastim (Neupogen®). Overall, 105 multiple myeloma patients received vinorelbine 35 mg/m2 intravenously on day 1 and either original filgrastim (n = 61;58%) or biosimilar filgrastim (n = 44;42%) at a dose of 5 µg per kg body weight (BW) twice daily subcutaneously starting day 4 until the end of the collection procedure. Leukapheresis was scheduled to start on day 8 and performed for a maximum of three consecutive days until at least 4 × 106 HPC/kg BW were collected. All patients proceeded to leukapheresis. In 102 (97%) patients the leukapheresis sessions were started as planned at day 8. The median number of collected HPC was 7.3 × 106/kg BW (0.2–18.3) with original filgrastim compared to 9 × 106/kg BW (4.2‐23.8) with the biosimilar filgrastim (P = 0.16). HPC collection was successful in 57 (93%) of 61 patients of the original group and in all 44 (100%) patients of the biosimilar group (P = 0.14). No differences were observed regarding side effects. Duration of neutrophil engraftment after autologous HPC transplantation was similar between the two groups (P = 0.17). Biosimilar and original filgrastim achieve comparable results in combination with vinorelbine regarding HPC mobilization and transplantation outcome in multiple myeloma patients. J. Clin. Apheresis 32:21–26, 2017. © 2016 Wiley Periodicals, Inc.
The enhanced production of 11α‐hydroxyandrosta‐1,4‐diene‐3,17‐dione based on the application of organic silica hollow spheres in the biotransformation of β‐sitosterol
Authors: Rong Shaofeng , Wang Jingwen , Li Qianqian , Guan Shimin , Cai Baoguo , Zhang Shuo , Hu Jing
Published: March 2016

BACKGROUND

11α‐hydroxyandrosta‐1,4‐diene‐3,17‐dione (11α‐OH‐ADD) serves as an important steroid intermediate for many hormone pharmaceuticals. However, the poor aqueous solubility of the β‐sitosterol which is the substrate hinders its productivity efficiency. This paper reports a new method of biotransformation of β‐sitosterol to 11α‐OH‐ADD by mixed cultivation of Mycobacterium MF006 and Aspergillus ochraceus MF007 with organic silica hollow spheres (OSHS) to improve the dispersibility of the substrate based on its excellent adsorption property. The effect of co‐cultivation method and OSHS on the biotransformation were evaluated.

RESULTS

Results obtained by scanning electron microscopy, Fourier transform infrared spectroscopy and thermogravimetric analysis indicated that the adsorption complexes were formed with β‐sitosterol and OSHS, which increased the opportunity for interaction between microorganisms and β‐sitosterol. Using adsorption complexes as substrates, the conversion efficiency increased to 87.11% and the yield of 11α‐OH‐ADD enhanced one and a half times through the synergy of these two microorganisms.

CONCLUSION

This study is the first to demonstrate that OSHS can increase the solubility of β‐sitosterol and the mixed cultivation of microorganisms is able to enhance production and shorten duration, which provides a new direction for enhancing the biotransformation efficiency of steroids. © 2016 Society of Chemical Industry