bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Construction of Substituted Benzenes via Pd‐Catalyzed Cross‐Coupling/Cyclization Reaction of Vinyl Halides and Terminal Alkynes.
Authors: Xie Meihua , Wang Shengke , Wang Jun , Fang Kuang , Liu Changqing , Zha Chao , Jia Jing
Published: August 2016

The one‐pot tandem Sonogashira coupling/cyclization/aromatization reaction of β‐halo vinyl sulfones or ketones with terminal aryl or alkyl alkynes provides polysubstituted, functionalized benzenes endowed with a versatile sulfonyl or acyl group in high yields.
ChemInform Abstract: Two Phenyls Are Better Than One or Three: Synthesis and Application of Terminal Olefin‐Oxazoline (TOlefOx) Ligands.
Authors: Zhao Yi‐Shuang , Liu Jian‐Kang , He Zhi‐Tao , Tao Jing‐Chao , Tian Ping , Lin Guo‐Qiang
Published: August 2016

A novel terminal olefin‐oxazoline ligand containing two diphenylmethyl groups is used in the highly enantioselective rhodium‐catalyzed conjugate addition of aryl boronic acids to enones.
ChemInform Abstract: Alkyne [2 + 2 + 2]‐Cyclotrimerization Approach for Synthesis of 6,7‐Cyclopropylallocolchicinoids.
Authors: More Atul A. , Ramana Chepuri V.
Published: August 2016

The title reaction is efficiently used for the synthesis of cyclopropylallocolchicinoid (IIIa) and a range of C9, C10 and/or C11 substituted analogues.
ChemInform Abstract: Au—Pd Bimetallic Catalysis: The Importance of Anionic Ligands in Catalyst Speciation.
Authors: Garcia‐Dominguez Patricia , Nevado Cristina
Published: August 2016

The title catalysis is effective for the preparation of butenolides from allenes and aryl or hetaryl iodides.
ChemInform Abstract: Synthesis of 3‐Fluoroalkenyl‐3‐trifluoromethyl‐2‐oxindoles by the Reaction of Indoline‐2,3‐diones with Difluoromethylene Phosphabetaine.
Authors: Liu Yingle , Zhang Ke , Huang Yangen , Pan Shen , Liu Xiao‐Qiang , Yang Yi , Jiang Yan , Xu Xiu‐Hua
Published: August 2016

The unprecedented reaction of indoline‐2,3‐diones (I) with difluoromethylene phosphabetaine (II) gives rise to novel 3‐fluoroalkenyl‐3‐trifluoromethyl‐2‐oxindoles (III), which are converted into derivatives (V) and (VI).
ChemInform Abstract: Synthesis of Functionalized 2,3‐Dihydropyrroles by Oxidative Radical Cyclization of N‐Sulfonyl β‐Enamino Esters with Alkenes.
Authors: Yoshida Masahiro , Kobayashi Asuka , Nakayama Atsushi , Namba Kosuke
Published: August 2016

The efficient protocol tolerates various alkenes, such as 1‐substituted and 1,1‐disubstituted styrene derivatives and cyclic alkenes.
ChemInform Abstract: Superbase/Saccharide: An Ecologically Benign Catalyst for Efficient Fixation of CO2 into Cyclic Carbonates.
Authors: Cheng Weiguo , Xu Fei , Sun Jian , Dong Kun , Ma Congkai , Zhang Suojiang
Published: August 2016

Cyclic carbonates (III) are simply and efficiently synthesized by a cycloaddition reaction of epoxides (I) with CO2 (II).
ChemInform Abstract: Copper(II)‐Catalyzed C—S Cross‐Coupling with Thiazolidine‐2‐thiones and Boronic Acids: Synthesis of Azole Sulfides.
Authors: Shanmugapriya Jayabalan , Rajaguru Kandasamy , Muthusubramanian Shanmugam , Bhuvanesh Nattamai
Published: August 2016

A library of pharmaceutically interesting azole sulfides is readily available under non‐basic, mild conditions without the need of an ancillary ligand.
ChemInform Abstract: Copper Immobilized Ferromagnetic Nanoparticle Triazine Dendrimer (FMNP@TD—Cu(II))‐Catalyzed Regioselective Synthesis of 1,4‐Disubstituted 1,2,3‐Triazoles.
Authors: Bahrami Kiumars , Sheikh Arabi Mehdi
Published: August 2016

The novel catalyst is environmentally safe and economical.
ChemInform Abstract: Palladium‐Catalyzed Amination of C‐5 Bromoimidazo[2,1‐b][1,3,4]thiadiazoles.
Authors: Copin Chloe , Buron Frederic , Routier Sylvain
Published: August 2016

A library of C‐5 brominated substrates is prepared and subjected to amination under conditions A).
ChemInform Abstract: Design, Synthesis and Cytotoxicity of Pyrano[4,3‐b]indol‐1(5H)‐ones: A Hybrid Pharmacophore Approach via Gold Catalyzed Cyclization.
Authors: Praveen Chandrasekar , Ananth D. Babu
Published: August 2016

A gold(III)‐catalyzed 6‐endo‐dig cycloisomerization of 2‐alkynyl‐indole‐3‐carboxylic acids is reported to obtain the title compounds (II) in good yields.
ChemInform Abstract: Base‐Catalyzed Asymmetric α‐Functionalization of 2‐(Cyanomethyl)azaarene N‐Oxides Leading to Quaternary Stereocenters.
Authors: Izquierdo Joseba , Landa Aitor , Bastida Inaki , Lopez Rosa , Oiarbide Mikel , Palomo Claudio
Published: August 2016

A highly enantioselective α‐functionalization of 2‐(cyanomethyl)pyridine N‐oxides and pyrazine N‐oxides via conjugate addition of 4‐hydroxy‐4‐methylpent‐1‐en‐3‐one or α‐amination with di(tert‐butyl) or dibenzyl azodicarboxylate is developed.
ChemInform Abstract: Microwaves and Aqueous Solvents Promote the Reaction of Poorly Nucleophilic Anilines with a Zincke Salt.
Authors: Zeghbib Narimane , Thelliere Paul , Rivard Michael , Martens Thierry
Published: August 2016

The reaction tolerates a wide range of functional groups and delivers the arylpyridinium chloride products in generally high yields.
ChemInform Abstract: Metal Free Carboamination of Internal Alkynes — An Easy Access to Polysubstituted Quinolines.
Authors: Stopka T. , Niggemann M.
Published: August 2016

The cyclization of unactivated alkynes with ortho‐azidobenzyl alcohols in the presence of a synergistic Broensted acid catalyst system affords various polysubstituted quinolines via a highly reactive vinyl cation in a C—C bond formation followed by a Schmidt reaction.
ChemInform Abstract: Synthesis of New Quinolinones from 3‐Nitropyranoquinolinones.
Authors: Morsy Jehan M. , Hassanin Hany M. , Ismail Mostafa M. , Abd‐Alrazk Marwa M. A.
Published: August 2016

The alkaline hydrolysis of 3‐nitropyranoquinolinones (I) gives five different products depending on the refluxing time, which are formed by progressive degradation of the nitropyrano ring.
ChemInform Abstract: Generation of Tertiary and Quaternary Stereocenters Through Palladium‐Catalyzed Intramolecular Heck‐Type Reactions for the Stereocontrolled Synthesis of Pyrrolo[1,2‐b]isoquinolines.
Authors: Azcargorta Ane Rebolledo , Coya Estibaliz , Barbolla Iratxe , Lete Esther , Sotomayor Nuria
Published: August 2016

Different 2‐alkenyl‐substituted pyrroles and pyrrolidines are investigated as cyclization precursors: Pd sources, ligands (chiral and achiral), bases and solvents are tested to produce an optimal result concerning the required stereocenters.
ChemInform Abstract: One‐Pot Synthesis and Antifungal Activity Against Plant Pathogens of Quinazolinone Derivatives Containing an Amide Moiety.
Authors: Zhang Jin , Liu Jia , Ma Yangmin , Ren Decheng , Cheng Pei , Zhao Jiawen , Zhang Fan , Yao Yuan
Published: August 2016

A facile one‐pot, three‐component synthesis of the title quinazolinone derivatives (IV) (39 examples) is developed.
ChemInform Abstract: One‐Pot, Regiospecific Assembly of (E)‐Benzamidines from δ‐ and γ‐Amino Acids via an Intramolecular Aminoquinazolinone Rearrangement.
Authors: Schroeder Chad E. , Neuenswander Sarah A. , Yao Tuanli , Aube Jeffrey , Golden Jennifer E.
Published: August 2016

The utility of the effective method is demonstrated by its incorporation in the synthesis of various novel benzamidine structures of pharmaceutical interest.
ChemInform Abstract: Efficient Three‐Step Synthesis of Benzo[e]imidazo[1,2‐c][1,2,3]triazines.
Authors: Pilali Hedieh , Kamazani Shirin Faraji , Moradi Shahram , Moghimi Setareh , Mahdavi Mohammad , Firoozpour Loghman , Shafiee Abbas , Foroumadi Alireza
Published: August 2016

Title compounds (II) are efficiently synthesized through intermediate diazonium formation followed by intramolecular N—N bond formation using a simple and metal‐free strategy.
ChemInform Abstract: Borylation of Olefin C—H Bond via Aryl to Vinyl Palladium 1,4‐Migration.
Authors: Hu Tian‐Jiao , Zhang Ge , Chen Ya‐Heng , Feng Chen‐Guo , Lin Guo‐Qiang
Published: August 2016

The first examples for an aryl to vinyl palladium 1,4‐migration are presented.
ChemInform Abstract: Alkoxy Hydrosilanes as Surrogates of Gaseous Silanes for Hydrosilylation of Alkenes.
Authors: Buslov Ivan , Keller Sebastien Carlos , Hu Xile
Published: August 2016

A novel, catalytic protocol for convenient and safe hydrosilylation of alkenes is developed.
ChemInform Abstract: Spirotrichilins A and B: Two Rearranged Spirocyclic Limonoids from Trichilia connaroides.
Authors: Kong Ling‐Yi , et al.
Published: August 2016

Two novel limonoids named spirotrichilins A (I) and B (II) are obtained from the fruits of trichilia connaroides.
ChemInform Abstract: Selective Deprotection of Trityl Group on Carbohydrate by Microflow Reaction Inhibiting Migration of Acetyl Group.
Authors: Miyagawa Atsushi , Tomita Ryusuke , Kurimoto Kenta , Yamamura Hatsuo
Published: August 2016

Trityl groups at the 6‐position of sugars like (I) are efficiently deprotected under optimized microflow reaction conditions that inhibit migration of neighboring acetyl groups.
ChemInform Abstract: Paecilonic Acids A and B, Bicyclic Fatty Acids from the Jellyfish‐Derived Fungus Paecilomyces variotii J08NF‐1.
Authors: Wang Haibo , Hong Jongki , Yin Jun , Liu Juan , Liu Yonghong , Choi Jae Sue , Jung Jee H.
Published: August 2016

isolation and structure elucidation
ChemInform Abstract: Broadband Yellowish‐Green Emitting Ba4Gd3Na3 (PO4)6F2:Eu2+ Phosphor: Structure Refinement, Energy Transfer, and Thermal Stability.
Authors: Fu Xiaopeng , Lue Wei , Jiao Mengmeng , You Hongpeng
Published: August 2016

A series of Ba4‐xGd3Na3 (PO4)6F2:xEu2+ phosphors are prepared by sintering a stoichiometric mixture of raw materials with an excess of BaF2 under a H2(10%)/N2 reducing atmosphere (1075 °C, 6 h).
ChemInform Abstract: Elementary Photocatalytic Chemistry on TiO2 Surfaces
Authors: Guo Qing , Zhou Chuanyao , Ma Zhibo , Ren Zefeng , Fan Hongjun , Yang Xueming
Published: August 2016

Review: 319 refs.
ChemInform Abstract: A New Photoluminescent Feature in LuPO4:Eu Thermoluminescent Sintered Materials
Authors: Zeler J. , Cybinska J. , Zych E.
Published: August 2016

Review: [discussion of the properties of the broad‐band luminescence around 425 nm in the temp.
ChemInform Abstract: Magnetic Properties, Water Proton Relaxivities, and in‐vivo MR Images of Paramagnetic Nanoparticles
Authors: Lee Gang Ho , Chang Yongmin
Published: August 2016

Review: emphasis on Ln2O3‐based MRI contrast agwents; 40 refs.
ChemInform Abstract: Functionalization of Layered Titanates
Authors: Ide Yusuke , Sadakane Masahiro , Sano Tsuneji , Ogawa Makoto
Published: August 2016

Review: 122 refs.
ChemInform Abstract: Direct CVD Graphene Growth on Semiconductors and Dielectrics for Transfer‐Free Device Fabrication
Authors: Wang Huaping , Yu Gui
Published: August 2016

Review: 147 refs.
ChemInform Abstract: Polysaccharides/Silica Hybrid Materials: New Perspectives for Sustainable Raw Materials
Authors: Salama Ahmed
Published: August 2016

Review: 79 refs.
ChemInform Abstract: Multicomponent Reactions in Organic Synthesis Using Copper‐Based Nanocatalysts
Authors: Das Debjit
Published: August 2016

Review: [86 refs.
ChemInform Abstract: Transition‐Metal‐Catalyzed C—C and C—X Bond‐Forming Reactions Using Cyclopropanols
Authors: Nikolaev Andrei , Orellana Arturo
Published: August 2016

Review: [73 refs.
ChemInform Abstract: Deployment of Small‐Ring Azaheterocycles as Building Blocks for the Synthesis of Organofluorine Compounds
Authors: Dolfen Jeroen , De Kimpe Norbert , D'hooghe Matthias
Published: August 2016

Review: [41 refs.
ChemInform Abstract: Chiral Phosphine‐Phosphoramidite Ligands in Asymmetric Catalysis
Authors: Chen Xiu‐Shuai , Hou Chuan‐Jin , Hu Xiang‐Ping
Published: August 2016

Review: 53 refs.
ChemInform Abstract: 2,2,4,4‐Tetrakis(trifluoromethyl)‐1,3‐dithietane in Organic Synthesis (Microreview)
Authors: Ogurok Volodymyr M.
Published: August 2016

Review: 15 refs.
ChemInform Abstract: 1‐Sulfonyl‐1,2,3‐triazoles as Promising Reagents in the Synthesis of Nitrogen‐Containing Linear and Heterocyclic Structures (Microreview)
Authors: Volkova Yulia A. , Gorbatov Sergey A.
Published: August 2016

Review: [26 refs.
ChemInform Abstract: Water in Asymmetric Organocatalytic Systems: A Global Perspective
Authors: Jimeno Ciril
Published: August 2016

Review: 90 refs.
ChemInform Abstract: Latest Development on the Methods of Synthesizing Ionic Liquids
Authors: Zhang Jinsheng , Xie Xiaoxia , Li Lihua , Wu Xian , Ma Cheng
Published: August 2016

Review: [74 refs.
ChemInform Abstract: Review on Synthesis of 3‐Substituted 1,2‐Benzisoxazole Derivatives
Authors: Shastri R. A.
Published: August 2016

Review: 29 refs.
ChemInform Abstract: Conceptual and Instrumental Progress in Dissolution DNP
Authors: Jahnig Fabian , Kwiatkowski Grzegorz , Ernst Matthias
Published: August 2016

Review: 68 refs.
ChemInform Abstract: Optimizing Dissolution Dynamic Nuclear Polarization
Authors: Bornet Aurelien , Jannin Sami
Published: August 2016

Review: 62 refs.
ChemInform Abstract: Eremophilane Sesquiterpenes from the Genus Ligularia
Authors: Wu Ling , Liao Zhixin , Liu Chao , Jia Haiyang , Sun Jinyue
Published: August 2016

Review: 144 refs.
ChemInform Abstract: Hypoxia‐Responsive Nanocarriers for Cancer Imaging and Therapy: Recent Approaches and Future Perspectives
Authors: Thambi Thavasyappan , Park Jae Hyung , Lee Doo Sung
Published: August 2016

Review: 96 refs.
ChemInform Abstract: Catalytic Hydroprocessing of Microalgae‐Derived Biofuels: A Review
Authors: Yang Changyan , Li Rui , Cui Chang , Liu Shengpeng , Qiu Qi , Ding Yigang , Wu Yuanxin , Zhang Bo
Published: August 2016

Review: 156 refs.
ChemInform Abstract: Recent Advances in Application of 27Al NMR Spectroscopy to Materials Science
Authors: Haouas Mohamed , Taulelle Francis , Martineau Charlotte
Published: August 2016

Review: 261 refs.
Origin of axonal proteins: Is the axon‐schwann cell unit a functional syncytium?
Authors: López‐Leal Rodrigo , Alvarez Jaime , Court Felipe A.
Published: August 2016

The structural homeostasis is challenging for neurons, whose axons extend up to meters in large animals, and the axoplasmic mass reaches over a thousand times that of the cell body. Thus, the protein demand may overcome the capacity of the cell body to supply the right protein species, to the right place, in the right time. In this context, a body of evidence indicates that glial cells support the axonal maintenance and regenerative responses by diverse mechanisms of intercellular communication. We showed recently that Schwann cells (SC) transfer ribosomes to axons and also enhance regeneration by means of extracellular vesicles known as exosomes that contain mRNAs, miRNAs and proteins. These findings strongly suggest that the nucleus of the SC supports the machinery for protein synthesis of the axon and participates in the specification of the phenotype of the underlying axon. That the genetic programs of many nuclei modulate the axoplasm on a local basis is akin to a syncytium but at variance with it, the nuclei belong to satellite cells. We propose that the SC‐axon unit is a functional syncytium. This intercellular organization opens a novel understanding of the nervous system and a new avenue of research into its physiology and disorders © 2016 Wiley Periodicals, Inc.
Race and mortality risk after radiation therapy in men treated with or without androgen‐suppression therapy for favorable‐risk prostate cancer
Authors: Kovtun Konstantin A. , Chen Ming‐Hui , Braccioforte Michelle H. , Moran Brian J. , D'Amico Anthony V.
Published: August 2016

BACKGROUND

African American (AA) men are more likely than non‐AA men to have a comorbid illness that could interact with androgen‐deprivation therapy (ADT) and shorten survival. This study assessed the impact that race had on the risk of all‐cause mortality (ACM) and other‐cause mortality (OCM) among men definitively treated for favorable‐risk prostate cancer (PC).

METHODS

Between 1997 and 2013, 7252 men with low‐risk or favorable intermediate‐risk PC were treated with brachytherapy with neoadjuvant ADT (n = 1501) or without neoadjuvant ADT (n = 5751) for a 4‐month median duration. Cox and Fine‐Gray multivariate regressions were used to analyze whether the risk of ACM and OCM increased among AA men versus non‐AA men receiving ADT; adjustments were made for the age at brachytherapy, year of brachytherapy, cardiometabolic comorbidity status, risk group, and ADT treatment propensity score.

RESULTS

After a median follow‐up of 8.04 years, 869 men (12.0%) died: 48 (5.52%) of PC and 821 (94.48%) of other causes. There was a significant association between AA race and an increased risk of both ACM (adjusted hazard ratio [AHR], 1.77; 95% confidence interval [CI], 1.06‐2.94; P = .028) and OCM (AHR, 1.86; 95% CI, 1.08‐3.19; P = .024) among AA men versus non‐AA men who received ADT but not among those who did not receive ADT (AHR for ACM, 1.33; 95% CI, 0.93‐1.91; P = .12; AHR for OCM, 1.39; 95% CI, 0.96‐2.02; P = .08).

CONCLUSIONS

ADT use may shorten survival in AA men with favorable‐risk PC; therefore, its reservation for the treatment of higher risk PC, for which level 1 evidence supports its use, should be considered. Cancer 2016;122:3608‐14. © 2016 American Cancer Society.
Comments: Number of perceivable object color stimuli
Authors: Kuehni Rolf G.
Published: August 2016

M. Brill, in his comments “Maximum number of discriminable colors in a region of uniform color space,” offers a different calculation method from that used by R. G. Kuehni in “How many object colors can we distinguish?,” one based on close‐packing of just noticeable difference spheres. The number per just noticeable difference (JND) sphere is lower than that derived in Kuehni's study. Based on the resulting number of close‐packed JND spheres in the CIECAM02/D65 object color solid and Brill's described multiplier of 5.923 potential stimuli within a JND sphere, the resulting number of distinguishable color stimuli is 9.114 million. © 2016 Wiley Periodicals, Inc. Col Res Appl, 00, 000–000, 2016
Effects of Visible‐Light Irradiation of Protoporphyrin IX on the Self‐Assembly of Tubulin Heterodimers
Authors: Vall‐Sagarra Alicia , McMicken Brady , Nonell Santi , Brancaleon Lorenzo
Published: August 2016

The formation and the effects of laser irradiation of the complex formed by protoporphyrin IX (PPIX) and tubulin was investigated. We have used tubulin as a model protein to investigate whether docked photoactive ligands can affect the structure and function of polypeptides upon exposure to visible light. We observed that laser irradiation in the Soret band prompts bleaching of the PPIX, which is accompanied by a sharp decrease in the intensity and average fluorescence lifetime of the protein (dominated by the four tryptophan residues of the tubulin monomer). The kinetics indicate non‐trivial effects and suggest that the photosensitization of the PPIX bound to tubulin prompts structural alterations of the protein. These modifications were also observed through changes in the energy transfer between Trp residues and PPIX. The results suggest that laser irradiation produces localized partial unfolding of tubulin and that the changes prompt modification of the formation of microtubules in vitro. Measurements of singlet oxygen formation were inconclusive in determining whether the changes are prompted by reactive oxygen species or other excited state mechanisms.
Monomer Dynamics of Alzheimer Peptides and Kinetic Control of Early Aggregation in Alzheimer's Disease
Authors: Acharya Srabasti , Srivastava Kinshuk R. , Nagarajan Sureshbabu , Lapidus Lisa J.
Published: August 2016

The rate of reconfiguration—or intramolecular diffusion—of monomeric Alzheimer (Aβ) peptides is measured and, under conditions that aggregation is more likely, peptide diffusion slows down significantly, which allows bimolecular associations to be initiated. By using the method of Trp–Cys contact quenching, the rate of reconfiguration is observed to be about five times faster for Aβ40, which aggregates slowly, than that for Aβ42, which aggregates quickly. Furthermore, the rate of reconfiguration for Aβ42 speeds up at higher pH, which slows aggregation, and in the presence of the aggregation inhibitor curcumin. The measured reconfiguration rates are able to predict the early aggregation behavior of the Aβ peptide and provide a kinetic basis for why Aβ42 is more prone to aggregation than Aβ40, despite a difference of only two amino acids.
Oral hygiene aspects in a study of children and young adults with the congenital and childhood forms of myotonic dystrophy type 1
Authors: Mårtensson Åsa , Ekström Anne‐Berit , Engvall Monica , Sjögreen Lotta
Published: August 2016

The primary aim was to study the interaction between oral hygiene, oral care, saliva production, and oral motor function in individuals with myotonic dystrophy type 1 (DM1). A secondary aim was to study how oral hygiene, oral care, and saliva flow rate are affected by gender, age, and subgroup of DM1 in this study population. The study comprised 52 individuals, seven to 29 years of age, divided into two subgroups of DM1, the congenital (N = 24) and childhood‐onset forms (N = 28). A combined dental and oral motor examination was performed and the participants or caregivers answered a questionnaire with questions about general health and disabilities, medication, dental care, and oral health. Sixteen individuals with a plaque‐, gingivitis‐, or calculus‐index score of 5–6 were considered to have poor oral hygiene. There were no significant differences between subgroups (age, gender, or form of DM1) in terms of the occurrence of calculus, gingivitis, plaque, or saliva flow rate. The mean value of the unstimulated whole saliva flow rate was 0.7(±0.44) mL/min. An open mouth at rest and oral motor dysfunction were frequent findings. The majority of Swedish children and young adults with the congenital or childhood form of DM1 have fair or poor oral hygiene, with a high occurrence of plaque and gingivitis. As a group, individuals with DM1 and poor oral hygiene have a higher frequency of caries and they report less satisfaction with their oral care at home and the quality of dental care received compared with those with good oral hygiene.
Effect of Halide Composition on the Photochemical Stability of Perovskite Photovoltaic Materials
Authors: Misra Ravi K. , Ciammaruchi Laura , Aharon Sigalit , Mogilyansky Dmitry , Etgar Lioz , Visoly‐Fisher Iris , Katz Eugene A.
Published: August 2016

The photochemical stability of encapsulated films of mixed halide perovskites with a range of MAPb(I1−xBrx)3 (MA=methylammonium) compositions (solid solutions) was investigated under accelerated stressing using concentrated sunlight. The relevance of accelerated testing to standard operational conditions of solar cells was confirmed by comparison to degradation experiments under outdoor sunlight exposure. We found that MAPbBr3 films exhibited no degradation, while MAPbI3 and mixed halide MAPb(I1−xBrx)3 films decomposed yielding crystallization of inorganic PbI2 accompanied by degradation of the perovskite solar light absorption, with faster absorption degradation in mixed halide films. The crystal coherence length was found to correlate with the stability of the films. We postulate that the introduction of Br into the mixed halide solid solution stressed its structure and induced more structural defects and/or grain boundaries compared to pure halide perovskites, which might be responsible for the accelerated degradation. Hence, the cause for accelerated degradation may be the increased defect density rather than the chemical composition of the perovskite materials.
Potential breeding distributions of U.S. birds predicted with both short‐term variability and long‐term average climate data
Authors: Bateman Brooke L. , Pidgeon Anna M. , Radeloff Volker C. , Flather Curtis H. , VanDerWal Jeremy , Akçakaya H. Resit , Thogmartin Wayne E. , Albright Thomas P. , Vavrus Stephen J. , Heglund Patricia J.
Published: August 2016

Climate conditions, such as temperature or precipitation, averaged over several decades strongly affect species distributions, as evidenced by experimental results and a plethora of models demonstrating statistical relations between species occurrences and long‐term climate averages. However, long‐term averages can conceal climate changes that have occurred in recent decades and may not capture actual species occurrence well because the distributions of species, especially at the edges of their range, are typically dynamic and may respond strongly to short‐term climate variability. Our goal here was to test whether bird occurrence models can be predicted by either covariates based on short‐term climate variability or on long‐term climate averages. We parameterized species distribution models (SDMs) based on either short‐term variability or long‐term average climate covariates for 320 bird species in the conterminous USA and tested whether any life‐history trait‐based guilds were particularly sensitive to short‐term conditions. Models including short‐term climate variability performed well based on their cross‐validated area‐under‐the‐curve AUC score (0.85), as did models based on long‐term climate averages (0.84). Similarly, both models performed well compared to independent presence/absence data from the North American Breeding Bird Survey (independent AUC of 0.89 and 0.90, respectively). However, models based on short‐term variability covariates more accurately classified true absences for most species (73% of true absences classified within the lowest quarter of environmental suitability vs. 68%). In addition, they have the advantage that they can reveal the dynamic relationship between species and their environment because they capture the spatial fluctuations of species potential breeding distributions. With this information, we can identify which species and guilds are sensitive to climate variability, identify sites of high conservation value where climate variability is low, and assess how species’ potential distributions may have already shifted due recent climate change. However, long‐term climate averages require less data and processing time and may be more readily available for some areas of interest. Where data on short‐term climate variability are not available, long‐term climate information is a sufficient predictor of species distributions in many cases. However, short‐term climate variability data may provide information not captured with long‐term climate data for use in SDMs.
Breeding phenology in Rana temporaria. Local variation is due to pond temperature and population size
Authors: Loman Jon
Published: August 2016

Frog breeding phenology in temperate zones is usually compared to progress of spring temperatures at a regional scale. However, local populations may differ substantially in phenology. To understand this, local climate and other aspects must be studied. In this study, breeding phenology of the common frog, Rana temporaria, in a set of ponds in southern Sweden is analyzed. There was within year a variation of up to 3 weeks in start of breeding among local populations. Water temperature was measured in the ponds, and breeding tended to be earlier in warmer ponds (surprise!). Breeding was also earlier in ponds with a large breeding congregation. Alternative reasons for these patterns are suggested and discussed. There was a large residual variation. The common frog has a wide range of acceptable wintering sites, and I hypothesize that the particular choice by a local population may explain part of this residual variation.
Somatic mosaicism in B cells of a patient with autosomal dominant hyper IgE syndrome
Authors: Alcántara‐Montiel Julio C. , Staines‐Boone Tamara , López‐Herrera Gabriela , Berrón‐Ruiz Laura , Borrego‐Montoya Carlos R. , Santos‐Argumedo Leopoldo
Published: August 2016

Hyper IgE syndrome (HIES) is characterized by recurrent skin abscesses, eczema, pneumonia, and high levels of serum IgE. Nonimmunologic manifestations of HIES include a characteristic face, pathologic dentition, scoliosis, bone alterations, hyperextensible joints, and vascular abnormalities. Somatic mosaicism is defined by the presence of two or more populations of cells with different genotypes in one individual. In this report, we describe one patient with classical HIES and another patient with a mild phenotype, both harboring the same genetic mutation. The patient with a mild phenotype did not present the characteristic face, had normal production of IL‐17A by T CD4+ cells, but had low phosphorylation of STAT‐3 in B cells. Interestingly, the mutation found in B cells was absent in other cell types analyzed, in agreement with the presence of a somatic mosaic genotype. The clinical and functional differences observed between these patients justify the use of complementary tools for a better definition of the cases. These approaches allow for a better understanding of complex phenotypes associated with somatic mosaicisms, and present the possibility to analyze the role of B lymphocytes in the pathophysiology of this disease. This knowledge has an impact on not only the treatment but also the provision of appropriate genetic counseling.
Prioritizing individual genetic variants after kernel machine testing using variable selection
Authors: He Qianchuan , Cai Tianxi , Liu Yang , Zhao Ni , Harmon Quaker E. , Almli Lynn M. , Binder Elisabeth B. , Engel Stephanie M. , Ressler Kerry J. , Conneely Karen N. , Lin Xihong , Wu Michael C.
Published: August 2016

Kernel machine learning methods, such as the SNP‐set kernel association test (SKAT), have been widely used to test associations between traits and genetic polymorphisms. In contrast to traditional single‐SNP analysis methods, these methods are designed to examine the joint effect of a set of related SNPs (such as a group of SNPs within a gene or a pathway) and are able to identify sets of SNPs that are associated with the trait of interest. However, as with many multi‐SNP testing approaches, kernel machine testing can draw conclusion only at the SNP‐set level, and does not directly inform on which one(s) of the identified SNP set is actually driving the associations. A recently proposed procedure, KerNel Iterative Feature Extraction (KNIFE), provides a general framework for incorporating variable selection into kernel machine methods. In this article, we focus on quantitative traits and relatively common SNPs, and adapt the KNIFE procedure to genetic association studies and propose an approach to identify driver SNPs after the application of SKAT to gene set analysis. Our approach accommodates several kernels that are widely used in SNP analysis, such as the linear kernel and the Identity by State (IBS) kernel. The proposed approach provides practically useful utilities to prioritize SNPs, and fills the gap between SNP set analysis and biological functional studies. Both simulation studies and real data application are used to demonstrate the proposed approach.
Extracting patterns of morphometry distinguishing HIV associated neurodegeneration from mild cognitive impairment via group cardinality constrained classification
Authors: Zhang Yong , Kwon Dongjin , Esmaeili‐Firidouni Pardis , Pfefferbaum Adolf , Sullivan Edith V. , Javitz Harold , Valcour Victor , Pohl Kilian M.
Published: August 2016

HIV‐Associated Neurocognitive Disorder (HAND) is the most common constellation of cognitive dysfunctions in chronic HIV infected patients age 60 or older in the U.S. Only few published methods assist in distinguishing HAND from other forms of age‐associated cognitive decline, such as Mild Cognitive Impairment (MCI). In this report, a data‐driven, nonparameteric model to identify morphometric patterns separating HAND from MCI due to non‐HIV conditions in this older age group was proposed. This model enhanced the potential for group separation by combining a smaller, longitudinal data set containing HAND samples with a larger, public data set including MCI cases. Using cross‐validation, a linear model on healthy controls to harmonize the volumetric scores extracted from MRIs for demographic and acquisition differences between the two independent, disease‐specific data sets was trained. Next, patterns distinguishing HAND from MCI via a group sparsity constrained logistic classifier were identified. Unlike existing approaches, our classifier directly solved the underlying minimization problem by decoupling the minimization of the logistic regression function from enforcing the group sparsity constraint. The extracted patterns consisted of eight regions that distinguished HAND from MCI on a significant level while being indifferent to differences in demographics and acquisition between the two sets. Individually selecting regions through conventional morphometric group analysis resulted in a larger number of regions that were less accurate. In conclusion, simultaneously analyzing all brain regions and time points for disease specific patterns contributed to distinguishing with high accuracy HAND‐related impairment from cognitive impairment found in the HIV uninfected, MCI cohort. Hum Brain Mapp 37:4523–4538, 2016. © 2016 Wiley Periodicals, Inc.
Angular default mode network connectivity across working memory load
Authors: Vatansever D. , Manktelow A.E. , Sahakian B.J. , Menon D.K. , Stamatakis E.A.
Published: August 2016

Initially identified during no‐task, baseline conditions, it has now been suggested that the default mode network (DMN) engages during a variety of working memory paradigms through its flexible interactions with other large‐scale brain networks. Nevertheless, its contribution to whole‐brain connectivity dynamics across increasing working memory load has not been explicitly assessed. The aim of our study was to determine which DMN hubs relate to working memory task performance during an fMRI‐based n‐back paradigm with parametric increases in difficulty. Using a voxel‐wise metric, termed the intrinsic connectivity contrast (ICC), we found that the bilateral angular gyri (core DMN hubs) displayed the greatest change in global connectivity across three levels of n‐back task load. Subsequent seed‐based functional connectivity analysis revealed that the angular DMN regions robustly interact with other large‐scale brain networks, suggesting a potential involvement in the global integration of information. Further support for this hypothesis comes from the significant correlations we found between angular gyri connectivity and reaction times to correct responses. The implication from our study is that the DMN is actively involved during the n‐back task and thus plays an important role related to working memory, with its core angular regions contributing to the changes in global brain connectivity in response to increasing environmental demands. Hum Brain Mapp 38:41–52, 2017. © 2016 Wiley Periodicals, Inc.
Fragility Fracture Incidence in Chronic Obstructive Pulmonary Disease (COPD) Patients Associates With Nanoporosity, Mineral/Matrix Ratio, and Pyridinoline Content at Actively Bone-Forming Trabecular Surfaces
Authors: Paschalis Eleftherios P , Gamsjaeger Sonja , Dempster David , Jorgetti Vanda , Borba Victoria , Boguszewski Cesar L , Klaushofer Klaus , Moreira Carolina A
Published: August 2016

Chronic obstructive pulmonary disease (COPD) is associated with low areal bone mineral density (aBMD) by dual-energy X-ray absorptiometry (DXA) and altered microstructure by bone histomorphometry and micro-computed tomography. Nevertheless, not all COPD patients sustain fragility fractures. In the present study, we used Raman microspectroscopic analysis to determine bone compositional properties at actively forming trabecular surfaces (based on double fluorescent labels) in iliac crest biopsies from 19 postmenopausal COPD patients (aged 62.1 ± 7.3 years). Additionally, we analyzed trabecular geometrical centers, representing tissue much older than the forming surfaces. Eight of the patients had sustained fragility fractures, and 13 had received treatment with inhaled glucocorticoids. None of the patients had taken oral glucocorticoids. The monitored parameters were mineral/matrix ratio (MM), nanoporosity, and relative glycosaminoglycan (GAG), lipid, and pyridinoline contents (PYD). There were no significant differences between the glucocorticoid-treated patients and those who did not receive any. On the other hand, COPD patients sustaining fragility fractures had significantly lower nanoporosity and higher MM and PYD values compared with COPD patients without fragility fractures. To the best of our knowledge, this is the first study to discriminate between fracture and non-fracture COPD patients based on differences in the material properties of bone matrix. Given that these bone material compositional differences are evident close to the cement line (a major bone interface), they may contribute to the inferior bone toughness and coupled with the lower lumbar spine bone mineral density values result in the fragility fractures prevalent in these patients. © 2016 American Society for Bone and Mineral Research.
Hyperargininemia and renal oxidative stress: Prevention by antioxidants and NG‐nitro‐l‐arginine methyl ester
Authors: Delwing‐de Lima Daniela , Delwing‐Dal Magro Débora , Vieira Cindy Laís Pett , Grola Gislaine Maria Marestoni , Fischer Débora Adriana , de Souza Wyse Angela Terezinha
Published: August 2016

We investigated the in vitro and in vivo effects of arginine (Arg) on thiobarbituric acid‐reactive substances (TBA‐RS) and on the activities of catalase (CAT), glutathione peroxidase (GSH‐Px), and superoxide dismutase (SOD) in renal tissues of rats. We also studied the influence of antioxidants (α‐tocopherol plus ascorbic acid) and nitric oxide synthase inhibitor NG‐nitro‐l‐arginine methyl ester (l‐NAME) on the effects elicited by Arg. Results showed that Arg in vitro (1.5 mM) decreased SOD activity and increased the levels of TBA‐RS in the renal medulla. Acute administration of Arg [0.8 g/kg, intraperitoneal injection] decreased CAT activity, increased SOD activity and TBA‐RS levels in the renal medulla, and decreased CAT activity in the renal cortex of rats. Most results were prevented by antioxidants and/or l‐NAME. Data indicate that Arg causes an oxidative imbalance in the renal tissues studied; however, in the presence of antioxidants and l‐NAME, some of these alterations in oxidative stress were prevented.
Mechanistic insight on (E)‐methyl 3‐(2‐aminophenyl)acrylate cyclization reaction by multicatalysis of solvent and substrate
Authors: Liu Jiahui , Zheng Yiying , Liu Ying , Yuan Haiyan , Zhang Jingping
Published: August 2016

The reaction mechanism of (E)‐methyl 3‐(2‐aminophenyl)acrylate (A) with phenylisothiocyanate (B) as well as the vital roles of substrateAand solvent water were investigated under unassisted, water‐assisted, substrateA‐assisted, and water‐A‐assisted conditions. The reaction proceeds with four processes via nucleophilic addition, deprotonation and protonation, intramolecular cyclization with hydrogen transfer, and keto–enol tautomerization. According to the different H‐shift mode, two possible types of H‐shift P1 and P2 are carefully investigated to identify the most preferred pathway, differing in the NH2group deprotonation and CH group ofAprotonation processes. It is found that substrateAand water not only act as reactant and solvent, but also as catalyst, proton shuttle, and stabilizer in effectively lowering the energy barrier. Therefore, the results demonstrate that the strong donating and accepting ability of NH2group onAand the presence of bulk water are the keys to the title reaction proceed. © 2016 Wiley Periodicals, Inc.
Adding energy minimization strategy to peptide‐design algorithm enables better search for RNA‐binding peptides: Redesigned λ N peptide binds boxB RNA
Authors: Xiao Xingqing , Hung Michelle E. , Leonard Joshua N. , Hall Carol K.
Published: August 2016

Our previously developed peptide‐design algorithm was improved by adding an energy minimization strategy which allows the amino acid sidechains to move in a broad configuration space during sequence evolution. In this work, the new algorithm was used to generate a library of 21‐mer peptides which could substitute for λ N peptide in binding to boxB RNA. Six potential peptides were obtained from the algorithm, all of which exhibited good binding capability with boxB RNA. Atomistic molecular dynamics simulations were then conducted to examine the ability of the λ N peptide and three best evolved peptides, viz. Pept01, Pept26, and Pept28, to bind to boxB RNA. Simulation results demonstrated that our evolved peptides are better at binding to boxB RNA than the λ N peptide. Sequence searches using the old (without energy minimization strategy) and new (with energy minimization strategy) algorithms confirm that the new algorithm is more effective at finding good RNA‐binding peptides than the old algorithm. © 2016 Wiley Periodicals, Inc.
On the Distances between Latin Squares and the Smallest Defining Set Size
Authors: Cavenagh Nicholas , Ramadurai Reshma
Published: August 2016

In this note, we show that for each Latin square L of order , there exists a Latin square of order n such that L and differ in at most cells. Equivalently, each Latin square of order n contains a Latin trade of size at most . We also show that the size of the smallest defining set in a Latin square is .
One step separation of Aureobasidium pullulans from β‐poly(L‐malic acid) fermentation broth by membranes technology
Authors: Cui Jiandong , Li Hongbao , Luo Jianquan , Cao Weifeng , Qiao Changsheng , Wan Yinhua
Published: August 2016

BACKGROUND

β‐Poly (L‐malic acid) (PMLA) can be used as a pro‐drug or for a drug‐delivery system, while the separation of PMLA producer cells of Aureobasidium pullulans from its fermentation broth is a challenge. This paper reports the separation of A. pullulans from PMLA fermentation broth by membranes technology.

RESULTS

The best separation efficiency was obtained by the membrane with a molecular weight cut off of 300 kDa, an initial feed volume of 1300 mL, a volume reduction ratio (VRR) of 7.2, a cross‐flow velocity of 6 m s−1, a trans‐membrane pressure (TMP) of 0.2 MPa, and a temperature of 40°C. The average flux reached 55.97 L m−2 h−1 with a VRR of 7.2. The main fouling mechanism during the filtration of cell suspension solution was cake layer formation, while it was pore blocking for fermentation broth and cell free broth. Since the cake layer induced by cells would reject some macromolecular substances (i.e. reduce the pore blocking and enhance the fluxes), one step separation of A. pullulans with a 300 kDa membrane was better than that with centrifugation followed by membrane filtration.

CONCLUSION

One step separation of A. pullulans by membranes technology would be beneficial for PMLA bio‐refinery. © 2016 Society of Chemical Industry
Impact of clinical training on supra‐aortic duplex and transcranial doppler examination concordance
Authors: Egido Jose A. , Garcia Ana M. , del Prado‐Gonzalez Náyade , Fuentes‐Ferrer Manuel , Lopez‐Herranz Marta , Simal‐Hernández Patricia , Fernández‐Pérez Cristina
Published: August 2016

Sonographic tests are observer‐dependent. With 1,527 consecutive patients, 22 trainees were assessed at baseline and after a hands‐on 1:1 program, with a pre‐examination median of 76 studies/trainee. We evaluated the required number of supervised examinations to reach a 0.80 kappa index (ki). Statistics included linear and exponential generalized estimating equation models. In the exponential model, 76 studies for carotid‐duplex and >102 for vertebral‐duplex and transcranial Doppler were needed for a 0.80 ki. “Relevant‐categories” after‐training ki was 0.80 in carotid‐duplex and transcranial Doppler but 0.60 in vertebral‐duplex. A fixed training does not guarantee a high ki. Measuring the acquired skills of every trainee would improve quality. © 2016 Wiley Periodicals, Inc. J Clin Ultrasound 44:571–579, 2016
Morphological and dynamic contrast enhanced MR imaging features for the differentiation of chordoma and giant cell tumors in the Axial Skeleton
Authors: Lang Ning , Su Min‐Ying , Xing Xiaoying , Yu Hon J. , Yuan Huishu
Published: August 2016

Purpose

To characterize the morphological and dynamic‐contrast‐enhanced (DCE) MRI features of chordoma and giant cell tumor (GCT) of bone occurring in the axial skeleton.

Materials and Methods

A total of 13 patients with chordoma and 26 patients with GCT who received conventional T1, T2, and DCE‐MRI on 3 Tesla MR scanners were retrospectively identified and analyzed. Two radiologists evaluated morphological features independently, including the lesion location, expansile bone changes, vertebral compression, presence of paraspinal soft tissue mass, fibrous septa, and the signal intensity on T1WI and T2WI. The inter‐observer agreement was evaluated by kappa test. The DCE kinetics was measured to obtain the initial area under curve (IAUC) and the wash‐out slope; also the two‐compartmental pharmacokinetic model was applied to obtain Ktrans and kep. The diagnostic accuracy was evaluated by CHAID decision tree and ROC analysis.

Results

Chordomas were more likely to show soft tissue mass than GCTs (13/13 = 100% versus 15/26 = 58%; P = 0.007), as well as fibrous septa (9/13 = 69% versus 0; P < 0.001). In decision tree analysis, presence of fibrous septa and lesion location yield 31/39 = 79% accuracy. The DCE‐MRI pharmacokinetic parameters Ktrans and kep of GCTs were significantly higher than those of chordomas, 0.13 ± 0.65 versus 0.06 ± 0.04 (1/min) for Ktrans, 0.62 ± 0.22 versus 0.17 ± 0.12 (1/min) for kep, P < 0.001 for both. If using kep = 0.43/min as the cut‐off value, it achieved 100% sensitivity and 92% specificity to differentiate chordoma from GCT, with an overall accuracy of 37/39 = 95%. The IAUC was highly correlated with Ktrans (r = 0.94), and the slope was highly correlated with kep (r = 0.95).

Conclusion

Several morphological features were significantly different between chordoma and GCT, but their diagnostic performance was inferior to that of DCE‐MRI.

Level of Evidence: 4

J. Magn. Reson. Imaging 2017;45:1068–1075
Visualization of the airway in infants with MRI using pointwise encoding time reduction with radial acquisition (PETRA)
Authors: Niwa Tetsu , Nozawa Kumiko , Aida Noriko
Published: August 2016

Purpose

To assess airway visibility in infants using pointwise encoding time reduction with radial acquisition (PETRA).

Materials and Methods

PETRA was obtained in 37 infants (gestational age: 23–43 weeks; postconceptional age: 34–46 weeks) using 3T magnetic resonance imaging (MRI) without respiratory gating. The visibility of the branching point and the airway structures, including the trachea and bronchi, on PETRA was scored by two experienced pediatric radiologists using a four‐point scale (0–3). The rates of good visibility (score 3 or 2) were calculated for each airway structure. Interrater agreement was evaluated by intraclass correlation coefficient (ICC).

Results

For readers 1 and 2, good visibility was achieved for the branching point of the main bronchi (76% and 95%, respectively), trachea (97% and 95%, respectively), right main bronchus (92% and 92%, respectively), and left main bronchus (97% and 84%, respectively). Lower rates of visibility were achieved for the lobar bronchi. There was substantial agreement (ICC: 0.61–0.79) between the two readers for all the airway structures, except for the branching point at the right upper/middle lobe bronchi, for which there was moderate agreement (ICC: 0.56).

Conclusion

PETRA has the potential for good airway visibility in infants, particularly for the trachea and main bronchi.

Level of Evidence: 3

J. Magn. Reson. Imaging 2017;45:839–844.