bluuebunny/crossref_metadata_2025 huggingface dataset:
Polymorphisms in maternal folate pathway genes interact with arsenic in drinking water to influence risk of myelomeningocele
Authors: Mazumdar Maitreyi , Valeri Linda , Rodrigues Ema G. , Ibne Hasan Md Omar Sharif , Hamid Rezina , Paul Ligi , Selhub Jacob , Silva Fareesa , Mostofa Md Golam , Quamruzzaman Quazi , Rahman Mahmuder , Christiani David C.
Published: August 2015

BACKGROUND

Arsenic induces neural tube defects in many animal models. Additionally, studies have shown that mice with specific genetic defects in folate metabolism and transport are more susceptible to arsenic‐induced neural tube defects. We sought to determine whether 14 single‐nucleotide polymorphisms in genes involved in folate metabolism modified the effect of exposure to drinking water contaminated with inorganic arsenic and posterior neural tube defect (myelomeningocele) risk.

METHODS

Fifty‐four mothers of children with myelomeningocele and 55 controls were enrolled through clinical sites in rural Bangladesh in a case–control study of the association between environmental arsenic exposure and risk of myelomeningocele. We assessed participants for level of myelomeningocele, administered questionnaires, conducted biological and environmental sample collection, and performed genotyping. Inductively coupled plasma mass spectrometry was used to measure inorganic arsenic concentration in drinking water. Candidate single‐nucleotide polymorphisms were identified through review of the literature.

RESULTS

Drinking water inorganic arsenic concentration was associated with increased risk of myelomeningocele for participants with 4 of the 14 studied single‐nucleotide polymorphisms in genes involved in folate metabolism: the AA/AG genotype of rs2236225 (MTHFD1), the GG genotype of rs1051266 (SLC19A1), the TT genotype of rs7560488 (DNMT3A), and the GG genotype of rs3740393 (AS3MT) with adjusted odds ratio of 1.13, 1.31, 1.20, and 1.25 for rs2236225, rs1051266, rs7560488, and rs3740393, respectively.

CONCLUSION

Our results support the hypothesis that environmental arsenic exposure increases the risk of myelomeningocele by means of interaction with folate metabolic pathways. Birth Defects Research (Part A) 103:754–762, 2015. © 2015 Wiley Periodicals, Inc.
Bayesian outbreak detection in the presence of reporting delays
Authors: Salmon Maëlle , Schumacher Dirk , Stark Klaus , Höhle Michael
Published: August 2015

One use of infectious disease surveillance systems is the statistical aberration detection performed on time series of counts resulting from the aggregation of individual case reports. However, inherent reporting delays in such surveillance systems make the considered time series incomplete, which can be an impediment to the timely detection and thus to the containment of emerging outbreaks. In this work, we synthesize the outbreak detection algorithms of Noufaily et al. (2013) and Manitz and Höhle (2013) while additionally addressing right truncation caused by reporting delays. We do so by considering the resulting time series as an incomplete two‐way contingency table which we model using negative binomial regression. Our approach is defined in a Bayesian setting allowing a direct inclusion of all sources of uncertainty in the derivation of whether an observed case count is to be considered an aberration. The proposed algorithm is evaluated both on simulated data and on the time series of Salmonella Newport cases in Germany in 2011. Altogether, our method aims at allowing timely aberration detection in the presence of reporting delays and hence underlines the need for statistical modeling to address complications of reporting systems. An implementation of the proposed method is made available in the R package surveillance as the function “bodaDelay”.
Stability of ubiquinol‐10 (reduced form of coenzyme Q10) in human blood
Authors: Matsuo Kazuhiko , Kasai Kazuaki , Hosoe Kazunori , Funahashi Iwao
Published: August 2015

The ratio of ubiquinol‐10 in total coenzyme Q10 (TQ10) in human plasma has been proposed as a useful biomarker of oxidative stress. Since ubiquinol‐10 is easily oxidized in air, it is necessary to perform suitable processing at medical institutions prior to analysis. To establish stable storage conditions for blood to determine the ubiquinol‐10/TQ10 ratios properly, the effects of temperature conditions on the stability of ubiquinol‐10 were studied. Blood samples were collected from nine male Japanese volunteers. Changes in ubiquinol‐10/TQ10 ratios in blood samples were evaluated under three temperature conditions (room temperature, refrigerated and ice‐cooled). Plasma levels of ubiquinol‐10 and ubiquinone‐10 were determined by an HPLC system with electrochemical detection and the ubiquinol‐10/TQ10 ratios were calculated. We found that the ubiquinol‐10/TQ10 ratio was stable up to 8 or 4 h when blood samples were stored in refrigerator or ice‐cold container, respectively, and its decreases during these periods were <1.0%. We conclude that, in order to evaluate ubiquinol‐10/TQ10 ratios, blood samples should be stored in a refrigerator or an ice‐cold container, and processed for plasma separation within 4 h. Copyright © 2015 John Wiley & Sons, Ltd.
Pedagogy of second order homogeneous differential equations: A holistic approach using a Matlab workbook
Authors: Shankar P. M.
Published: August 2015

A Matlab workbook is developed to facilitate a better understanding of the multiple approaches available to solve homogeneous second order differential equations with constant coefficients. With minimal input consisting of the coefficients and initial conditions, the workbook displays all aspects of the differential equation such the phase plane plot, state of the equilibrium, solutions based on roots of the characteristic equation, Laplace transforms and Runge‐Kutta methods. The workbook format is such that it displays results as if the instructor is solving the differential equation on a blackboard with definitions, explanations, solution of unknown constants and comparison of solutions from multiple approaches. Several examples are provided which demonstrate the potential of the workbook in enhancing the pedagogy by letting instructors and students observe all aspects, thereby providing a holistic approach. The workbook (with examples and the Matlab script as a .p file) is available to all from the author's university website. © 2015 Wiley Periodicals, Inc. Comput. Appl. Eng. Educ. 24:114–121, 2016; View this article online at wileyonlinelibrary.com/journal/cae; DOI 10.1002/cae.21677
Acid–Base Catalyst Discriminates between a Fructose 6‐Phosphate Aldolase and a Transaldolase
Authors: Stellmacher Lena , Sandalova Tatyana , Leptihn Sebastian , Schneider Gunter , Sprenger Georg A. , Samland Anne K.
Published: August 2015

The residues responsible for binding the catalytic water molecule were interchanged between the closely related enzymes fructose 6‐phosphate aldolase A (FSAA) and transaldolase B (TalB) from Escherichia coli. In FSAA, this water molecule is bound by hydrogen bonds to the side chains of three residues (Gln59, Thr109 and Tyr131), whereas in TalB only two residues (Glu96 and Thr156) participate. Single and double variants were characterised with respect to fructose 6‐phosphate aldolase and transaldolase activity, stability, pH dependence of activity, pKa value of the essential lysine residue and their three dimensional structure. The double variant TalBE96Q F178Y showed improved aldolase activity with an apparent kcat of 4.3 s−1. The experimentally determined pKa values of the catalytic lysine residue revealed considerable differences: In FSAA, this lysine residue is deprotonated at assay conditions (pKa 5.5) whereas it is protonated in TalB (pKa 9.3). Hence, a deprotonation of the catalytic lysine residue, which is a prerequisite for an efficient nucleophilic attack in TalB, is not necessary in FSAA. Based upon these results, we propose a new mechanism for FSAA with Tyr131 as general acid.
A Facile Molten‐Salt Route for Large‐Scale Synthesis of NiFe2O4 Nanoplates with Enhanced Lithium Storage Capability
Authors: Huang Gang , Du Xinchuan , Zhang Feifei , Yin Dongming , Wang Limin
Published: August 2015

Binary metal oxides have been deemed as a promising class of electrode materials for high‐performance lithium ion batteries owing to their higher conductivity and electrochemical activity than corresponding monometal oxides. Here, NiFe2O4 nanoplates consisting of nanosized building blocks have been successfully fabricated by a facile, large‐scale NaCl and KCl molten‐salt route, and the changes in the morphology of NiFe2O4 as a function of the molten‐salt amount have been systemically investigated. The results indicate that the molten‐salt amount mainly influences the diameter and thickness of the NiFe2O4 nanoplates as well as the morphology of the nanosized building blocks. Cyclic voltammetry (CV) and galvanostatic charge–discharge measurements have been conducted to evaluate the lithium storage properties of the NiFe2O4 nanoplates prepared with a Ni(NO3)2/Fe(NO3)3/KCl/NaCl molar ratio of 1:2:20:60. A high reversible capacity of 888 mAh g−1 is delivered over 100 cycles at a current density of 100 mA g−1. Even at a current density of 5000 mA g−1, the discharge capacity could still reach 173 mAh g−1. Such excellent electrochemical performances of the NiFe2O4 nanoplates are contributed to the short Li+ diffusion distance of the nanosized building blocks and the synergetic effect of the Ni2+ and Fe3+ ions.
Combination of Cyanine Behaviour and Giant Hyperpolarisability in Novel Merocyanine Dyes: Beyond the Bond Length Alternation (BLA) Paradigm
Authors: Parthasarathy Venkatakrishnan , Pandey Ravindra , Stolte Matthias , Ghosh Sampa , Castet Frédéric , Würthner Frank , Das Puspendu Kumar , Blanchard‐Desce Mireille
Published: August 2015

Merocyanine dyes that exhibit antithetic cyanine‐like behaviour and giant first‐order hyperpolarisability (β) values have been designed. These cyanine‐type dyes open up an intriguing route towards molecular‐based electro‐optic materials as well as new second‐harmonic generation dyes for imaging.
ChemInform Abstract: Ba2In2Q5 (Q: S, Se): Synthesis, Crystal Structures, Electronic Structures, and Optical Properties.
Authors: Gao Wenhui , Wu Kui , Lai Kangrong , Yang Zhihua , Pan Shilie
Published: August 2015

High quality single crystals of the title compounds are synthesized by solid state reactions of the elements (950—1000 °C, 40—50 h, 70—90% yield) and characterized by single crystal XRD, IR and Raman spectroscopy, UV/VIS/NIR diffuse reflectance spectroscopy, and DFT electronic band structure calculations.
ChemInform Abstract: High Performance Na‐Doped Lithium Zinc Titanate as Anode Material for Li‐Ion Batteries.
Authors: Chen Wei , Zhou Zhengrong , Wang Rongrong , Wu Zhengtao , Liang Hanfeng , Shao Lianyi , Shu Jie , Wang Zhoucheng
Published: August 2015

Li2‐xNaxZnTi3O8 (x = 0—0.20) are prepared by calcination of stoichiometric amounts of ball milled (12 h) nano‐TiO2, Li2CO3, Na2CO3, and Zn(OAc)2 (750 °C, 5 h).
ChemInform Abstract: The First Fe‐Based Na+‐Ion Cathode with Two Distinct Types of Polyanions: Fe3P5SiO19.
Authors: Kan W. H. , Huq A. , Manthiram A.
Published: August 2015

Fe3P5SiO19 is prepared by calcination of stoichiometric amounts of FePO4, SiO(OH)2, and NH4H2PO4 in air (1000 °C, 12 h).
ChemInform Abstract: Synthesis, Structure, Magnetic and Photoelectric Properties of Ln3M0.5M′Se7 (Ln: La, Ce, Sm; M: Fe, Mn; M′: Si, Ge) and La3MnGaSe7.
Authors: He Jianqiao , Wang Zhe , Zhang Xian , Cheng Ye , Gong Yu , Lai Xiaofang , Zheng Chong , Lin Jianhua , Huang Fuqiang
Published: August 2015

The isostructural compounds La3Fe0.5GeSe7 (I), La3MnGaSe7 (II), Ce3Fe0.5SiSe7 (III), Ce3Mn0.5SiSe7 (IV), Sm3Fe0.5SiSe7 (V), and Sm3Mn0.5GeSe7 (VI) are prepared by melting of the elements in a KI flux (C‐coated evacuated silica tubes, 1273 K, 3 d).
ChemInform Abstract: Preparation and Structural Characterization of Mono‐Ru‐Substituted α2‐Dawson‐Type Phosphotungstate with a Carbonyl Ligand and Other Ru(CO)‐Substituted Heteropolytungstates.
Authors: Nishiki Kensuke , Ota Hiromi , Ogo Shuhei , Sano Tsuneji , Sadakane Masahiro
Published: August 2015

The α2‐isomer (IV) is characterized by single crystal XRD, IR, ESI‐MS, cyclic voltammetry, and NMR spectroscopy.
ChemInform Abstract: Organocatalytic Enantioselective Michael Addition of Cyclic Hemiacetals to Nitroolefins: A Facile Access to Chiral Substituted 5‐ and 6‐Membered Cyclic Ethers.
Authors: Zhu Yadong , Qian Pengfei , Yang Jiyang , Chen Shaohua , Hu Yanwei , Wu Ping , Wang Wei , Zhang Wei , Zhang Shilei
Published: August 2015

Few synthetic elaborations of the Michael adducts obtained are also reported, including syntheses of 2,3‐disubstituted cyclic ethers, α‐substituted lactones and analogues of the antidepressant drug venlafaxine.
ChemInform Abstract: Transition‐Metal‐Free Coupling Reaction of Vinylcyclopropanes with Aldehydes Catalyzed by Tin Hydride.
Authors: Ieki Ryosuke , Kani Yuria , Tsunoi Shinji , Shibata Ikuya
Published: August 2015

Hydrostannation of vinylcyclopropanes (VCPs) followed by reaction with aldehydes gives access to homoallylic alcohols without the use of transition‐metal catalysts.
ChemInform Abstract: Visible‐Light‐Promoted Remote C(sp3)—H Amidation and Chlorination.
Authors: Qin Qixue , Yu Shouyun
Published: August 2015

The iridium‐catalyzed photochemical intramolecular amidation and chlorination of N‐chlorosulfonamides leads to azoles and N‐chloroalkyl sulfonamides, respectively.
ChemInform Abstract: Ligand‐Enabled β‐C—H Arylation of α‐Amino Acids Using a Simple and Practical Auxiliary.
Authors: Yu Jin‐Quan , et al.
Published: August 2015

The direct C‐H functionalization of N‐protected α‐amino acid derivatives having a N‐methoxyamide as directing group is developed.
ChemInform Abstract: Visible‐Light‐Promoted Conversion of Alkyl Benzyl Ether to Alkyl Ester or Alcohol via O‐α‐sp3 C—H Cleavage.
Authors: Lu Ping , Hou Tianyuan , Gu Xiangyong , Li Pixu
Published: August 2015

An iridium‐catalyzed light‐promoted transesterification and debenzylation of alkyl benzyl esters yields alkyl esters and alcohols, respectively.
ChemInform Abstract: Facile Reduction of Aromatic Nitro Compounds to Aromatic Amines Catalyzed by Support‐Free Nanoporous Silver.
Authors: Li Zhiwen , Xu Xiaohong , Jiang Xiaojian , Li Yingchun , Yu Zhixin , Zhang Xiaomei
Published: August 2015

An efficient, silver‐catalyzed reduction of nitrobenzenes by NaBH4 in aqueous solution gives anilines at room temperature.
ChemInform Abstract: Open—Close: An Alternative Strategy to α‐Functionalization of Lactone via Enamine Catalysis in One Pot under Mild Conditions.
Authors: Liu Yan‐Kai , Li Zhi‐Long , Li Ji‐Yao , Feng Huan‐Xi , Tong Zhi‐Ping
Published: August 2015

An efficient two‐step one‐pot procedure is elaborated for the synthesis of chiral α‐substituted lactones from lactols and nitroalkenes.
ChemInform Abstract: Convenient Synthesis of α,α‐(Bisallyl and Bispropargyl)‐Substituted Amines via aza‐Barbier‐Type Reaction.
Authors: Guo Tao , Liu Ying‐Chao , Li Bo , Liu Hong‐Min
Published: August 2015

Zn‐promoted double allylation and propargylation of imidates with allyl‐ and propargyl bromides provides the title compounds in good yields.
ChemInform Abstract: A Highly Stable and Efficient Magnetically Recoverable and Reusable Pd Nanocatalyst in Aqueous Media Heterogeneously Catalyzed Suzuki C—C Cross‐Coupling Reactions.
Authors: Abbas Khakiani Bahareh , Pourshamsian Khalil , Veisi Hojat
Published: August 2015

The newly synthesized catalyst consists of Fe3O4/Ethyl‐CN/Pd wherein the cyano groups play an important role as a capping agent.
ChemInform Abstract: Asymmetric Synthesis of Dihydrofurans via Organocatalytic Domino Michael—Alkylation Reaction.
Authors: Feng Juhua , Lin Lili , Yu Kunru , Liu Xiaohua , Feng Xiaoming
Published: August 2015

The asymmetric domino Michael‐alkylation reaction between cyclohexane‐1,3‐dione derivatives and bromonitrostyrenes is efficiently catalyzed by a chiral N,N′‐dioxide organocatalyst.
ChemInform Abstract: Nucleophile‐Selective Cross‐Coupling Reactions with Vinyl and Alkynyl Bromides on a Dinucleophilic Aromatic Substrate.
Authors: He Lu‐Ying , Schulz‐Senft Mathias , Thiedemann Birk , Linshoeft Julian , Gates Paul J. , Staubitz Anne
Published: August 2015

A nucleophile‐selective cross‐coupling reaction of dinucleophilic thiophene (I) with vinyl and alkynyl bromides is developed, extending the scope of electrophiles usable in Sonogashira‐ or Heck‐type coupling reactions.
ChemInform Abstract: Ru‐Catalyzed C—H Arylation of Indoles and Pyrroles with Boronic Acids: Scope and Mechanistic Studies.
Authors: Sollert Carina , Devaraj Karthik , Orthaber Andreas , Gates Paul J. , Pilarski Lukasz T.
Published: August 2015

The procedure can be applied to a broad spectrum of indole substrates including tryptophan derivative (XIV).
ChemInform Abstract: Calcium‐Catalyzed Asymmetric Synthesis of 3‐Tetrasubstituted Oxindoles: Efficient Construction of Adjacent Quaternary and Tertiary Chiral Centers.
Authors: Shimizu Shota , Tsubogo Tetsu , Xu Pengyu , Kobayashi Shu
Published: August 2015

The asymmetric addition of N‐Boc‐imines (II) to 3‐substituted oxindoles (I) leads to chiral 3,3‐disubstituted oxindoles with 86‐96% diastereoselectivity (the main diastereomer is readily isolated by a column chromatography).
ChemInform Abstract: Counter‐Ion‐Dependent Alkyne Iminium Ion Cyclization for Divergent Synthesis of N‐Fused Indolylidine, Indole, and Indoline Derivatives Promoted by the Lewis/Broensted Acid.
Authors: Gharpure Santosh J. , Shelke Yogesh G. , Kumar Dasari Praveen
Published: August 2015

Cyclization of alkyne iminium ions, generated from cyclic N‐(2‐ethynylphenyl) imides, affords N‐fused indolylidines, indoles, and indolines.
ChemInform Abstract: Highly Palladium Catalyzed Chemoselective Domino Reaction: A Practical Way to the Synthesis of 6H‐Benzo[c]chromenes and Spiro[benzo[c]chromene‐6,2′‐chroman]s.
Authors: Wang Feijun , Liu Yunlong , Chen Feng , Qu Mingliang , Shi Min
Published: August 2015

Various aromatic ketones undergo Pd‐C catalyzed hydrogenation/cyclization reaction to form 6H‐benzo[c]chromenes.
ChemInform Abstract: “On Water” Synthesis of Highly Functionalized 4H‐Chromenes via Carbon—Carbon Bond Formation under Microwave Irradiation and Their Antibacterial Properties.
Authors: Rao L. Chandrasekhara , Kumar N. Satish , Dileepkumar V. , Murthy U. S. N. , Meshram H. M.
Published: August 2015

The antibacterial activity of the products is evaluated.
ChemInform Abstract: One Pot Synthesis of Pyran‐Based Heterocycles from Benzyl Halides as Key Reagents.
Authors: Beerappa Mallappa , Shivashankar Kalegowda
Published: August 2015

A three‐component coupling reaction of aldehydes, formed in situ by oxidation of benzylic halides, with active methylene compounds and α‐hydroxy C—H acids yields fused pyran derivatives.
ChemInform Abstract: Microwave‐Assisted Synthesis of Coumarin‐3‐carboxylic Acids under Ytterbium Triflate Catalysis.
Authors: Fiorito Serena , Genovese Salvatore , Taddeo Vito Alessandro , Epifano Francesco
Published: August 2015

A simple solvent‐free protocol for the condensation reaction of 2‐hydroxybenzaldehydes or 2‐hydroxyacetophenones with Meldrum′s acid to afford the title products in good to excellent yields is developed.
ChemInform Abstract: Transition‐Metal‐Free Tandem Radical Thiocyanooxygenation of Olefinic Amides: A New Route to SCN‐Containing Heterocycles.
Authors: Yang Hua , Duan Xin‐Hua , Zhao Jing‐Feng , Guo Li‐Na
Published: August 2015

A novel transition‐metal free tandem radical thiocyanooxygenation of olefinic amides with KSCN is developed, which allows a reliable and practical access to a set of diverse SCN‐containing benzoxazines and imino‐isobenzofurans.
ChemInform Abstract: A Sequential Synthetic Strategy Towards Unexplored Dibenzo[b,f][1,4]thiazepine Carboxamides: Copper Catalyzed C—S Cyclization Followed by Ugi Type 3CC Cascade.
Authors: Saha Debasmita , Wadhwa Preeti , Sharma Anuj
Published: August 2015

The thiazepine carboxamides (VI) are obtained by a two‐step diversity oriented synthetic method including the copper‐catalyzed synthesis of dibenzothiazepine as first step followed by Ugi—Joulli reaction of the obtained cyclic imines as second step.
ChemInform Abstract: Dicarabrones A and B, a Pair of New Epimers Dimerized from Sesquiterpene Lactones via a [3 + 2] Cycloaddition from Carpesium abrotanoides.
Authors: Wu Jiewei , Tang Chunping , Chen Lan , Qiao Yan , Geng Meiyu , Ye Yang
Published: August 2015

The cytotoxicity of dicarabrones A (Ia) and B (Ib) is evaluated.
ChemInform Abstract: Preparation of Pyranose‐Based Thioimidate N‐Oxides (TINOs).
Authors: Marques Stephanie , Schuler Marie , Tatibouet Arnaud
Published: August 2015

New thioimidate N‐oxides are synthesized by taking advantage of the nucleophilic capability of the thiohydroximate function, anchored on a carbohydrate backbone.
ChemInform Abstract: Base‐ and Radical‐Mediated Regio‐ and Stereoselective Additions of Thiols, Thio‐Sugars, and Thiol‐Containing Peptides to Trisubstituted Activated exo‐Glycals.
Authors: Richard Mylene , Didierjean Claude , Chapleur Yves , Pellegrini‐Moise Nadia
Published: August 2015

The hydrothiolation of the double bond of exo‐glycals such as (I) and (IV) is achieved under basic and radical conditions.
ChemInform Abstract: Joining Hydroxyazobenzene and Mannose under Mitsunobu Conditions.
Authors: Hain Julia , Chandrasekaran Vijayanand , Lindhorst Thisbe K.
Published: August 2015

The Mitsunobu reaction is used to react hydroxyazobenzene with several mannose derivatives.
ChemInform Abstract: Synthesis and Inhibition Study of Bicyclic Iminosugar‐Based Alkaloids, Scaffolds, and Libraries Towards Glucosidase.
Authors: Cheng Wei‐Chieh , Guo Chih‐Wei , Lin Cheng‐Kun , Jiang Yu‐Ruei
Published: August 2015

A flexible synthetic route is presented for the preparation of various bicyclic iminosugar‐based alkaloids starting from the chiral nitrone (I).
ChemInform Abstract: Tetrahydroanthraquinone Derivatives from the Endophytic Fungus Stemphylium globuliferum.
Authors: Liu Yang , Marmann Andreas , Abdel‐Aziz Mohamed S. , Wang Chang Yun , Mueller Werner E. G. , Lin Wen Han , Mandi Attila , Kurtan Tibor , Daletos Georgios , Proksch Peter
Published: August 2015

Dihydroaltersolanol B (Ia), dihydroaltersolanol C (Ib), acetylalterporriol D (II) and the atropisomer acetylalterporriol E are isolated from the title fungus.
ChemInform Abstract: Anatomy of Gold Catalysts: Facts and Myths
Authors: Ranieri Beatrice , Escofet Imma , Echavarren Antonio M.
Published: August 2015

Review: [159 refs.
ChemInform Abstract: Metabolomic Profile of the Genus Inula
Authors: Seca Ana M. L. , Pinto Diana C. G. A. , Silva Artur M. S.
Published: August 2015

Review: 97 refs.
ChemInform Abstract: Botanical, Phytochemical, and Anticancer Properties of the Eucalyptus Species
Authors: Vuong Quan V. , Chalmers Anita C. , Jyoti Bhuyan Deep , Bowyer Michael C. , Scarlett Christopher J.
Published: August 2015

Review: 77 refs.
ChemInform Abstract: Fluorinated Enol Ethers: Their Synthesis and Reactivity
Authors: Decostanzi M. , Campagne J.‐M. , Leclerc E.
Published: August 2015

Review: [174 refs.
ChemInform Abstract: Organometallic Intermediates of Gold Catalysis
Authors: Lauterbach Tobias , Asiri Abdullah Mohamed , Hashmi A. Stephen K.
Published: August 2015

Review: 141 refs.
ChemInform Abstract: Progress in Copper‐Mediated Functionalization of Unactivated C—H Bonds Assisted by Directing Groups
Authors: Hu Jia‐Lei , Li Jie , Zhou Yi‐Feng
Published: August 2015

Review: 109 refs.
ChemInform Abstract: Ninhydrin in Synthesis of Heterocyclic Compounds
Authors: Ziarani Ghodsi Mohammadi , Lashgari Negar , Azimian Fereshteh , Kruger Hendrik G. , Gholamzadeh Parisa
Published: August 2015

Review: 537 refs.
ChemInform Abstract: Biosynthesis of Silver Nanoparticles
Authors: Poulose Subin , Panda Tapobrata , Nair Praseetha P. , Theodore Thomas
Published: August 2015

Review: 145 refs.
Numerical modeling of heart valves using resistive Eulerian surfaces
Authors: Laadhari Aymen , Quarteroni Alfio
Published: August 2015

The goal of this work is the development and numerical implementation of a mathematical model describing the functioning of heart valves. To couple the pulsatile blood flow with a highly deformable thin structure (the valve's leaflets), a resistive Eulerian surfaces framework is adopted. A lumped‐parameter model helps to couple the movement of the leaflets with the blood dynamics. A reduced circulation model describes the systemic hemodynamics and provides a physiological pressure profile at the downstream boundary of the valve. The resulting model is relatively simple to describe for a healthy valve and pathological heart valve functioning while featuring an affordable computational burden. Efficient time and spatial discretizations are considered and implemented. We address in detail the main features of the proposed method, and we report several numerical experiments for both two‐dimensional and three‐dimensional cases with the aim of illustrating its accuracy. Copyright © 2015 John Wiley & Sons, Ltd.
Bioequivalence of fixed‐dose combinations of dapagliflozin and metformin with single‐component tablets in healthy subjects and the effect of food on bioavailability
Authors: de Bruin Tjerk W.A. , Reele Stots , Hamer‐Maansson Jennifer E. , Parikh Shamik , Tang Weifeng
Published: August 2015

The pharmacokinetics (PK) of dapagliflozin and metformin administered as fixed‐dose combination (FDC) tablets (2.5 mg dapagliflozin/850 mg metformin or 5 mg dapagliflozin/1000 mg metformin) or as separate tablets in healthy subjects were evaluated in 2 separate studies. Study 1 evaluated PK by measuring mean ratios of area under the plasma concentration–time curve (time zero to infinity [AUCinf]), AUC from zero to time of last measurable concentration (AUC0–t), and maximum observed plasma concentration (Cmax) for single‐component or FDC tablets following a non‐high‐fat meal. Mean ratios of AUCinf, AUC0–t, and Cmax for FDC or single‐component dapagliflozin and metformin tablets were close to unity. In study 2, AUCinf, AUC0–t, and Cmax for the FDC tablet were obtained fasting and after a high‐fat meal. Dapagliflozin 5 mg and metformin 1000 mg geometric mean Cmax was increased in the fasted versus fed state (61.9 vs 43.9 and 1600 vs 1330 ng/mL, respectively), but AUC0–t was similar (267 and 265 and 11 000 and 10 600 ng · h/mL, respectively). In summary, FDC tablets were bioequivalent to single‐component tablets, and total absorption (AUC) was similar for non‐high‐fat and high‐fat meals.
A Density Functional Study of the Nonlinear Optical Properties of Edge‐Functionalized Nonplanar Nanographenes
Authors: Dai Yafei , Li Zhenyu , Yang Jinlong
Published: August 2015

The atomically precise edge chlorination of nanographenes has recently been reported as a crucial technology of functionalization through which the planar structure and optical properties of nanographenes can be significantly changed. To check the effects of molecular size, geometrical symmetry and edge functionalization of nanographenes on their optical properties, a series of nanographenes is studied in the framework of density functional theory with the B3LYP functional. Our results indicate that edge functionalization remarkably changes the nonlinear optical properties and increases the anisotropy of nanographenes compared to the effects of the molecular size and system geometric symmetry. Furthermore, the nonlinear optical properties of nanographenes can be tuned by precise edge functionalization, which opens a new avenue for using nanographenes as nonlinear optical materials.
Mechanostability of the Single‐Electron‐Transfer Complexes of Anabaena Ferredoxin–NADP+ Reductase
Authors: Marcuello Carlos , de Miguel Rocío , Martínez‐Júlvez Marta , Gómez‐Moreno Carlos , Lostao Anabel
Published: August 2015

The complexes formed between the flavoenzyme ferredoxin–NADP+ reductase (FNR; NADP+=nicotinamide adenine dinucleotide phosphate) and its redox protein partners, ferredoxin (Fd) and flavodoxin (Fld), have been analysed by using dynamic force spectroscopy through AFM. A strategy is developed to immobilise proteins on a substrate and AFM tip to optimise the recognition ability. The differences in the recognition efficiency regarding a random attachment procedure, together with nanomechanical results, show two binding models for these systems. The interaction of the reductase with the natural electron donor, Fd, is threefold stronger and its lifetime is longer and more specific than that with the substitute under iron‐deficient conditions, Fld. The higher bond probability and two possible dissociation pathways in Fld binding to FNR are probably due to the nature of this complex, which is closer to a dynamic ensemble model. This is in contrast with the one‐step dissociation kinetics that has been observed and a specific interaction described for the FNR:Fd complex.
Continuously operating reference station and surveying applications in KSA
Authors: Madani Suhail Al , Sadoun Balqies , Bayari Omar Al
Published: August 2015

Recently, there is an increased interest in surveying applications based on Continuously Operating Reference Station (CORS) technology in the Kingdom of Saudi Arabia (KSA). Jeddah Municipality has started operating the first CORS network in KSA since 2007.

This work discusses the new technologies used in Jeddah CORS network, the obtained accuracy and addresses, the different applications covered by CORS network such as cadastral surveying, road surveying, Lidar, among others. Moreover, the work presents the determination of the different transformation parameters between ITRF/WGS84 coordinate system and the local coordinate systems used in KSA.

The purpose is to improve the communication abilities in order to operate modern smart cities. With full coverage and high accuracy of locations, Geographic Information System (GIS) and 3D models will be created to operate all aspects of life starting from the inside (the houses) and ending with saving the environment and the energy. Copyright © 2015 John Wiley & Sons, Ltd.
Combination of agrin and laminin increase acetylcholine receptor clustering and enhance functional neuromuscular junction formation In vitro
Authors: Zhang Bill G.X. , Quigley Anita F. , Bourke Justin L , Nowell Cameron J. , Myers Damian E. , Choong Peter F.M. , Kapsa Robert M.I.
Published: August 2015

Clustering of acetylcholine receptors (AChR) at the postsynaptic membrane is a crucial step in the development of neuromuscular junctions (NMJ). During development and after denervation, aneural AChR clusters form on the sarcolemma. Recent studies suggest that these receptors are critical for guiding and initiating synaptogenesis. The aim of this study is to investigate the effect of agrin and laminin‐1; agents with known AChR clustering activity; on NMJ formation and muscle maturation. Primary myoblasts were differentiated in vitro on collagen, laminin or collagen and laminin‐coated surfaces in the presence or absence of agrin and laminin. The pretreated cells were then subject to innervation by PC12 cells. The number of neuromuscular junctions was assessed by immunocytochemical co‐localization of AChR clusters and the presynaptic marker synaptophysin. Functional neuromuscular junctions were quantitated by analysis of the level of spontaneous as well as neuromuscular blocker responsive contractile activity and muscle maturation was assessed by the degree of myotube striation. Agrin alone did not prime muscle for innervation while a combination of agrin and laminin pretreatment increased the number of neuromuscular junctions formed and enhanced acetylcholine based neurotransmission and myotube striation. This study has direct clinical relevance for treatment of denervation injuries and creating functional neuromuscular constructs for muscle tissue repair. © 2015 Wiley Periodicals, Inc. Develop Neurobiol 76: 551–565, 2016
Prospective separation and transcriptome analyses of cortical projection neurons and interneurons based on lineage tracing by Tbr2 (Eomes)‐GFP/Dcx‐mRFP reporters
Authors: Liu Jiancheng , Wu Xiwei , Zhang Heying , Qiu Runxiang , Yoshikawa Kazuaki , Lu Qiang
Published: August 2015

In the cerebral cortex, projection neurons and interneurons work coordinately to establish neural networks for normal cortical functions. While the specific mechanisms that control productions of projection neurons and interneurons are beginning to be revealed, a global characterization of the molecular differences between these two neuron types is crucial for a more comprehensive understanding of their developmental specifications and functions. In this study, using lineage tracing power of combining Tbr2(Eomes)‐GFP and Dcx‐mRFP reporter mice, we prospectively separated intermediate progenitor cell (IPC)‐derived neurons (IPNs) from non‐IPC‐derived neurons (non‐IPNs) of the embryonic cerebral cortex. Molecular characterizations revealed that IPNs and non‐IPNs were enriched with projection neurons and interneurons, respectively. Expression profiling documented cell‐specific genes including differentially expressed transcriptional regulators that might be involved in cellular specifications, for instance, our data found that SOX1 and SOX2, which were known for important functions in neural stem/progenitor cells, continued to be expressed by interneurons but not by projection neurons. Transcriptome analyses of cortical neurons isolated at different stages of neurogenesis revealed distinct temporal patterns of expression of genes involved in early‐born or late‐born neuron specification. These data present a resource useful for further investigation of the molecular regulations and functions of projection neurons and interneurons. © 2015 Wiley Periodicals, Inc. Develop Neurobiol 76: 587–599, 2016
Wntless spatially regulates bone development through β‐catenin–dependent and independent mechanisms
Authors: Zhong Zhendong A. , Zahatnansky Juraj , Snider John , Van Wieren Emily , Diegel Cassandra R. , Williams Bart O.
Published: August 2015

Background: Canonical and noncanonical Wnt signaling pathways both play pivotal roles in bone development. Wntless/GPR177 is a chaperone protein that is required for secretion of all Wnt ligands. We previously showed that deletion of Wntless within mature osteoblasts severely impaired postnatal bone homeostasis. Results: In this study, we systemically evaluated how deletion of Wntless in different stages of osteochondral differentiation affected embryonic bone development, by crossing Wntless (Wls)‐flox/flox mice with strains expressing cre recombinase behind the following promoters: Osteocalcin, Collagen 2a1, or Dermo1. Ex vivo µCT and whole‐mount skeletal staining were performed to examine skeletal mineralization. Histology and immunohistochemistry were used to evaluate cellular differentiation and alterations in Wnt signaling. In this work, we found that Wntless regulated chondrogenesis and osteogenesis through both canonical and noncanonical Wnt signaling. Conclusions: These findings provide more insight into the requirements of different Wnt‐secretion cell types critical for skeletal development. Developmental Dynamics 244:1347–1355, 2015. © 2015 Wiley Periodicals, Inc.
Macroevolutionary developmental biology: Embryos, fossils, and phylogenies
Authors: Organ Chris L. , Cooper Lisa Noelle , Hieronymus Tobin L.
Published: August 2015

The field of evolutionary developmental biology is broadly focused on identifying the genetic and developmental mechanisms underlying morphological diversity. Connecting the genotype with the phenotype means that evo‐devo research often considers a wide range of evidence, from genetics and morphology to fossils. In this commentary, we provide an overview and framework for integrating fossil ontogenetic data with developmental data using phylogenetic comparative methods to test macroevolutionary hypotheses. We survey the vertebrate fossil record of preserved embryos and discuss how phylogenetic comparative methods can integrate data from developmental genetics and paleontology. Fossil embryos provide limited, yet critical, developmental data from deep time. They help constrain when developmental innovations first appeared during the history of life and also reveal the order in which related morphologies evolved. Phylogenetic comparative methods provide a powerful statistical approach that allows evo‐devo researchers to infer the presence of nonpreserved developmental traits in fossil species and to detect discordant evolutionary patterns and processes across levels of biological organization.Developmental Dynamics 244:1184–1192, 2015. © 2015 Wiley Periodicals, Inc.
Mesenchymal fibroblast growth factor receptor signaling regulates palatal shelf elevation during secondary palate formation
Authors: Yu Kai , Karuppaiah Kannan , Ornitz David M.
Published: August 2015

Background: Palatal shelf elevation is an essential morphogenetic process during secondary palate closure and failure or delay of palatal shelf elevation is a common cause of cleft palate, one of the most common birth defects in humans. Here, we studied the role of mesenchymal fibroblast growth factor receptor (FGFR) signaling during palate development by conditional inactivation of Fgfrs using a mesenchyme‐specific Dermo1‐Cre driver. Results: We showed that Fgfr1 is expressed throughout the palatal mesenchyme and Fgfr2 is expressed in the medial aspect of the posterior palatal mesenchyme overlapping with Fgfr1. Mesenchyme‐specific disruption of Fgfr1 and Fgfr2 affected palatal shelf elevation and resulted in cleft palate. We further showed that both Fgfr1 and Fgfr2 are expressed in mesenchymal tissues of the mandibular process but display distinct expression patterns. Loss of mesenchymal FGFR signaling reduced mandibular ossification and lower jaw growth resulting in abnormal tongue insertion in the oral‐nasal cavity. Conclusions: We propose a model to explain how redundant Fgfr1 and Fgfr2 expression in the palatal and mandibular mesenchyme regulates shelf medial wall protrusion and growth of the mandible to coordinate the craniofacial tissue movements that are required for palatal shelf elevation. Developmental Dynamics 244:1427–1438, 2015. © 2015 Wiley Periodicals, Inc.
Activated mast cells synthesize and release soluble ST2‐a decoy receptor for IL‐33
Authors: Bandara Geethani , Beaven Michael A. , Olivera Ana , Gilfillan Alasdair M. , Metcalfe Dean D.
Published: August 2015

IL‐33 released from damaged cells plays a central role in allergic inflammation by acting through its membrane‐bound receptor, ST2 receptor (ST2L). IL‐33 activity can be neutralized by the soluble spliced variant of ST2 (sST2) that has been associated with allergic inflammation but its source is not well defined. We investigated whether mast cells (MCs) are a significant source of sST2 following activation through FcεRI or ST2. We find that antigen and IL‐33 induce substantial production and release of sST2 from human and mouse MCs in culture and do so synergistically when added together or in combination with stem cell factor. Moreover, increases in circulating sST2 during anaphylaxis in mice were dependent on the presence of MCs. Human MCs activated via FcεRI failed to generate IL‐33 and IL‐33 produced by mouse bone marrow‐derived MCs was retained within the cells. Therefore, FcεRI‐mediated sST2 production is independent of MC‐derived IL‐33 acting in an autocrine manner. These results are consistent with the conclusion that both mouse and human MCs when activated are a significant inducible source of sST2 but not IL‐33 and thus have the ability to modulate the biologic impact of IL‐33 produced locally by other cell types during allergic inflammation.
1,25‐Dihydroxy‐vitamin D3 regulates NK‐cell cytotoxicity, cytokine secretion, and degranulation in women with recurrent pregnancy losses
Authors: Ota Kuniaki , Dambaeva Svetlana , Kim Michael Woo‐Il , Han Ae‐Ra , Fukui Atsushi , Gilman‐Sachs Alice , Beaman Kenneth , Kwak‐Kim Joanne
Published: August 2015

Vitamin D has a pivotal role in regulating immune responses by promoting Th2 immune responses and suppressing Th1 responses. Propensities to a Th1 immune response and increased NK‐cell levels and cytotoxicity have been reported in women with recurrent pregnancy losses (RPL). In women with RPL, vitamin D deficiency is prevalent; however, the effect of vitamin D on NK cells is largely unknown. In this study, we demonstrated that CD69+ activating receptor expression on NK cells was significantly decreased by incubation with 1,25(OH)2D3 in a dose‐dependent manner, while CD158a and CD158b inhibitory receptor expression was upregulated. The degranulation marker CD107a was significantly downregulated on NK cells following incubation with 1,25(OH)2D3. NK‐cell conjugation with K562 target cells was not affected by 1,25(OH)2D3; however, depolarization of perforin granules in conjugated NK cells was significantly increased. TLR4 expression on NK cells was significantly decreased and TNF‐α and IFN‐γ production was significantly reduced by 1,25(OH)2D3 through interference with NF‐κB. Our results suggest 1,25(OH)2D3 has immune regulatory effects on NK cell cytotoxicity, cytokine secretion and degranulation process as well as TLR4 expression. Potential therapeutic application of 1,25(OH)2D3 for dysregulated NK‐cell immunity should be explored in the future.
B‐cell intrinsic TLR7 signals promote depletion of the marginal zone in a murine model of Wiskott–Aldrich syndrome
Authors: Kolhatkar Nikita S. , Scharping Nicole E. , Sullivan Jenna M. , Jacobs Holly M. , Schwartz Marc A. , Khim Socheath , Notarangelo Luigi D. , Thrasher Adrian J. , Rawlings David J. , Jackson Shaun W.
Published: August 2015

Patients with Wiskott–Aldrich syndrome (WAS) exhibit prominent defects in splenic marginal zone (MZ), resulting in abnormal T‐cell‐independent antibody responses and increased bacterial infections. B‐cell‐intrinsic deletion of the affected gene WAS protein (WASp) markedly reduces splenic MZ B cells, without impacting the rate of MZ B‐cell development, suggesting that abnormal B‐cell retention within the MZ accounts for MZ defects in WAS. Since WASp regulates integrin‐dependent actin cytoskeletal rearrangement, we previously hypothesized that defective B‐cell integrin function promotes MZ depletion. In contrast, we now report that B‐cell‐intrinsic deletion of the TLR signaling adaptor MyD88 is sufficient to restore the MZ in WAS. We further identify TLR7, an endosomal single‐stranded RNA (ssRNA) receptor, as the MyD88‐dependent receptor responsible for WAS MZ depletion. These findings implicate spontaneous activation of MZ B cells by ssRNA‐containing self‐ligands (likely derived from circulating apoptotic material) as the mechanism underlying MZ depletion in WAS. Together, these data suggest a previously unappreciated role for B‐cell intrinsic TLR signals in MZ homeostasis, of relevance to both pathogen responses and to the development of systemic autoimmunity.
Non‐Condensed (Oxo)Nitridosilicates: La3­[SiN4]F and the Polymorph o‐La3­[SiN3O]O
Authors: Durach Dajana , Schnick Wolfgang
Published: August 2015

The isotypic compounds La3[SiN4]F and La3[SiN3O]O were synthesized in a radio‐frequency furnace at 1600 °C. The crystal structures [Pnma (no. 62), Z = 4; La3(SiN4)F: a = 9.970(3), b = 7.697(2), c = 6.897(2) Å, V = 529.3(3) Å3; La3(SiON3)O: a = 9.950(2), b = 7.6160(15), c = 6.9080(14) Å, V = 523.48(18) Å3] were elucidated from single‐crystal X‐ray diffraction data and corroborated by Rietveld refinement, lattice‐energy calculations (Madelung part of lattice energy, MAPLE) and Raman/FTIR spectroscopy. Both compounds are homeotypic with Na2Pr[GeO4]OH forming a network of vertex‐sharing FLa6/OLa6 octahedra, whose voids are filled with non‐condensed SiN4/SiN3O tetrahedra. o‐La3[SiON3]O is the orthorhombic polymorph of this compound, which probably represents the high‐temperasture modification, whereas the tetragonal polymorph t‐La3[SiON3]O represents the low‐temperature modification. While the space group of the t‐polymorph [I4/mcm (no. 140)] differs from the new La3[SiN4]F and o‐La3[SiN3O]O, the crystal structure contains the same linking pattern.
Semisynthesis and in Vitro Photodynamic Activity Evaluations of Halogenated and Glycosylated Derivatives of Pheophorbide a
Authors: Cieckiewicz Ewa , Mathieu Véronique , Angenot Luc , Gras Thierry , Dejaegher Bieke , de Tullio Pascal , Pirotte Bernard , Frédérich Michel
Published: August 2015

The present work focuses on the semisynthesis of halogenated and glycosylated derivatives of pheophorbide a (Pha). Because of the low reaction yields enocuntered en route to halogenated derivatives, we then focused only on the semisynthesis of glycosylated derivatives of Pha with the aim at enhancing the Pha specificity for cancer cells by introducing β‐galactose moieties expected to bind gal‐1. We applied LC‐SPE‐NMR/MS, to facilitate the direct identification of glycosylated derivatives. The transposition of these analytical methods to a preparative scale facilitated the isolation of glycosylated compounds in quantities sufficient to evaluate in vitro photodynamic efficacies. The in vitro growth inhibitory activity of semisynthesized compounds was then evaluated using the MTT colorimetric assay in the presence and absence of light. However, this pharmacological evaluation method seems to be unable to efficiently yield information about carbohydrate effects in relation to possible compound specificities for gal‐1 overexpressed by B16F10 cancer cells.
On the Synthesis of Oligonucleotides Interconnected through Pyrophosphate Linkages
Authors: Kistemaker Hans A. V. , Meeuwenoord Nico J. , Overkleeft Herman S. , van der Marel Gijsbert A. , Filippov Dmitri V.
Published: August 2015

In this article we revisit the synthetic methodology for oligonucleotides interconnected via pyrophosphates that relies on reactivity of phosphorodiamidous anhydrides. We have found this method, previously published by Ahmadibeni and Parang (2007), to be irreproducible in our hands. We synthesized successfully three pyrophosphate interconnected thymidine oligonucleotides, identical to the claimed structures in their article, via a method independently developed by us. Evaluation of the spectroscopic data of the newly synthesized products casts doubts on the viability of the Ahmadibeni–Parang approach. Therefore, we believe to report here the first successful synthesis of DNA oligomers interconnected via pyrophosphate linkages.
Separation and on‐line preconcentration of nonsteroidal anti‐inflammatory drugs by microemulsion electrokinetic chromatography
Authors: Chang Chia‐Wen , Chen Yu‐Cheng , Liu Chuen‐Ying
Published: August 2015

The MEEKC separation and on‐line preconcentration of nonsteroidal anti‐inflammatory drugs (NSAIDs) were investigated. In this work, two microemulsion (ME) systems were employed. Complete separation could be achieved at a pH of 5.5 with octane as the oil phase (ME I). The LODs for the determination of flurbiprofen, fenoprofen, naproxen, ketoprofen, suprofen, and indoprofen were 0.45, 0.32, 0.10, 0.48, 0.77, and 0.29 mg/L, respectively. To enhance the sensitivity, anion selective exhaustive injection‐sweeping (ASEI‐sweeping) and stacking with reverse migrating pseudostationary phase (SRMP) were compared. For having a simple process without polarity switching and shorter analysis time, a suppressed EOF and di‐n‐butyl‐L‐tartrate as the oil phase (ME II) were used for the simultaneous determination of NSAIDs. The sensitivity for ASEI‐sweeping was enhanced approximately 280‐fold. However, there was much background noise, and some of the analytes were co‐eluted. When SRMP was used, all of the analytes could be detected simultaneously, and baseline separation could be achieved. The sensitivities of all of the analytes, except for indoprofen, were enhanced approximately 170‐fold compared with the normal MEEKC, and the LODs were 2–45 μg/L. Herein, we propose a simple method for the direct determination of NSAIDs at therapeutic and toxic levels in urine throughout a wide concentration range.