bluuebunny/crossref_metadata_2025_split huggingface dataset:
Endochondral growth disruption during vitamin D deficiency rickets in a mid‐19th century series from Bethnal Green, London, UK
Authors: Ives Rachel , Humphrey Louise 
Published: August 2018

AbstractObjectivesVitamin D affects many aspects of cartilage and skeletal development. Inconsistent findings currently exist regarding the impact of vitamin D deficiency on childhood growth. This study aims to evaluate the impact of vitamin D deficiency on childhood skeletal development by exploring long bone growth in children with healed and active rickets.Materials and methodsForty‐four known‐age children (2 months to 12 years) with rickets and 99 without rickets were compared with modern reference data from North America. Diaphyseal lengths of children with active rickets (34.1%, 15/44), healed rickets (65.9%, 29/44), and without rickets (99/143, 69.2%) were expressed as a percentage of expected length and an average percentage value was calculated across all available long bones.ResultsCombined data for all six long bones revealed that children with active rickets had achieved only 75.3% of their expected size whereas, on average, children with healed rickets had achieved 81.6% of their expected size. On average, children without skeletal evidence of rickets had achieved 83.7% of their expected size. Children with severe skeletal manifestations of active rickets had a lower average percentage of expected size (70.4%) than the remainder of children affected by the condition.DiscussionPronounced growth faltering existed in children with active rickets and affected the upper and lower limb, indicating systemic growth failures during the deficiency. Poor maternal health, early weaning and inadequate infant feeding, and lack of sunlight exposure likely contributed to the development of rickets. Complex interactions between pathological conditions, nutritional deficiencies and vitamin D deficiency may have exacerbated growth impacts.
Gold‐Catalyzed Formal Dehydro‐Diels–Alder Reactions of Ene‐Ynamide Derivatives Bearing Terminal Alkyne Chains: Scope and Mechanistic Studies
Authors: Zhao Qing , León Rayo David Fabian , Campeau Dominic , Daenen Martin , Gagosz Fabien 
Published: August 2018

AbstractA new protocol for the synthesis of a variety of N‐containing aromatic heterocycles by a formal gold‐catalyzed dehydro‐Diels–Alder reaction of ynamide derivatives has been developed. Deuterium‐labeling experiments and kinetic studies support the involvement of a dual gold catalysis mechanism in which a gold acetylide moiety adds onto an aurated keteneiminium.
CO2 Overall Splitting by a Bifunctional Metal‐Free Electrocatalyst
Authors: Ghausi Muhammad Arsalan , Xie Jiafang , Li Qiaohong , Wang Xueyuan , Yang Rui , Wu Maoxiang , Wang Yaobing , Dai Liming 
Published: August 2018

AbstractPhoto/electrochemical CO2 splitting is impeded by the low cost‐effective catalysts for key reactions: CO2 reduction (CDRR) and water oxidation. A porous silicon and nitrogen co‐doped carbon (SiNC) nanomaterial by a facile pyrolyzation was developed as a metal‐free bifunctional electrocatalyst. CO2‐to‐CO and oxygen evolution (OER) partial current density under neutral conditions were enhanced by two orders of magnitude in the Tafel regime on SiNC relative to single‐doped comparisons beyond their specific area gap. The photovoltaic‐driven CO2 splitting device with SiNC electrodes imitating photosynthesis yielded an overall solar‐to‐chemical efficiency of advanced 12.5 % (by multiplying energy efficiency of CO2 splitting cell and photovoltaic device) at only 650 mV overpotential. Mechanism studies suggested the elastic electron structure of −Si(O)−C−N− unit in SiNC as the highly active site for CDRR and OER simultaneously by lowering the free energy of CDRR and OER intermediates adsorption.
Photocorrosion of Cuprous Oxide in Hydrogen Production: Rationalising Self‐Oxidation or Self‐Reduction
Authors: Toe Cui Ying , Zheng Zhaoke , Wu Hao , Scott Jason , Amal Rose , Ng Yun Hau 
Published: August 2018

AbstractCuprous Oxide (Cu2O) is a photocatalyst with severe photocorrosion issues. Theoretically, it can undergo both self‐oxidation (to form copper oxide (CuO)) and self‐reduction (to form metallic copper (Cu)) upon illumination with the aid of photoexcited charges. There is, however, limited experimental understanding of the “dominant” photocorrosion pathway. Both photocorrosion modes can be regulated by tailoring the conditions of the photocatalytic reactions. Photooxidation of Cu2O (in the form of a suspension system), accompanied by corroded morphology, is kinetically favourable and is the prevailing deactivation pathway. With knowledge of the dominant deactivation mode of Cu2O, suppression of self‐photooxidation together with enhancement in its overall photocatalytic performance can be achieved after a careful selection of sacrificial hole (h+) scavenger. In this way, stable hydrogen (H2) production can be attained without the need for deposition of secondary components.
Catalytic Asymmetric [4+2]‐Cycloadditions Using Tropolones: Developments, Scope, Transformations, and Bioactivity
Authors: Hammer Niels , Erickson Jeremy D. , Lauridsen Vibeke H. , Jakobsen Joakim B. , Hansen Bente K. , Jacobsen Kristian M. , Poulsen Thomas B. , Jørgensen Karl Anker 
Published: August 2018

AbstractAn organocatalyzed asymmetric [4+2]‐cycloaddition between tropolones and electron‐deficient dienophiles is presented. Complex and biologically interesting dihydrohomobarrelenone scaffolds are formed through a Diels–Alder reaction utilizing bifunctional Brønsted‐base catalysis, affording the corresponding bridged bicyclic cycloadducts in up to quantitative yields with good enantio‐ (up to 92 % ee) and diastereoselectivity (up to >20:1 d.r.). The synthetic value of the obtained products is explored by downstream transformations, including photoisomerizations, and their biological relevancy by in vivo testing in MCF‐7 cancer cells.
Selective Encapsulation of Disaccharide Xylobiose by an Aromatic Foldamer Helical Capsule
Authors: Saha Subrata , Kauffmann Brice , Ferrand Yann , Huc Ivan 
Published: August 2018

AbstractXylobiose sequestration in a helical aromatic oligoamide capsule was evidenced by circular dichroism, NMR spectroscopy, and crystallography. The preparation of the 5 kDa oligoamide sequence was made possible by the transient use of acid‐labile dimethoxybenzyl tertiary amide substituents that disrupt helical folding and prevent double helix formation. Binding of other disaccharides was not detected. Crystallographic data revealed a complex composed of a d‐xylobiose α anomer and two water molecules accommodated in the right‐handed helix. The disaccharide was found to adopt an unusual all‐axial compact conformation. A dense network of 18 hydrogen bonds forms between the guest, the cavity wall, and the two water molecules.
Electron‐Affinity‐Triggered Variations on the Optical and Electrical Properties of Dye Molecules Enabling Highly Efficient Dye‐Sensitized Solar Cells
Authors: Liu Yuhang , Cao Yiming , Zhang Weiwei , Stojanovic Marko , Dar M. Ibrahim , Péchy Péter , Saygili Yasemin , Hagfeldt Anders , Zakeeruddin Shaik Mohammed , Grätzel Michael 
Published: August 2018

AbstractThe synthesis, characterization, and photovoltaic performance of a series of indacenodithiophene (IDT)‐based D‐π‐A organic dyes with varying electron‐accepting units is presented. By control of the electron affinity, perfectly matching energy levels were achieved with a copper(I/II)‐based redox electrolyte, reaching a high open‐circuit voltage (>1.1 V) while harvesting a large fraction of solar photons at the same time. Besides achieving high power conversion efficiencies (PCEs) for dye‐sensitized solar cells (DSCs), that is, 11.2 % under standard AM 1.5 G sunlight, and 28.4 % under a 1000 lux fluorescent light tube, this work provides a possible method for the design and fabrication of low‐cost highly efficient DSCs.
Merging Photoredox and Organometallic Catalysts in a Metal–Organic Framework Significantly Boosts Photocatalytic Activities
Authors: Zhu Yuan‐Yuan , Lan Guangxu , Fan Yingjie , Veroneau Samuel S. , Song Yang , Micheroni Daniel , Lin Wenbin 
Published: August 2018

AbstractMetal–organic frameworks (MOFs) have been extensively used for single‐site catalysis and light harvesting, but their application in multicomponent photocatalysis is unexplored. We report here the successful incorporation of an IrIII photoredox catalyst and a NiII cross‐coupling catalyst into a stable Zr12 MOF, Zr12‐Ir‐Ni, to efficiently catalyze C−S bond formation between various aryl iodides and thiols. The proximity of the IrIII and NiII catalytic components to each other (ca. 0.6 nm) in Zr12‐Ir‐Ni greatly facilitates electron and thiol radical transfers from Ir to Ni centers to reach a turnover number of 38 500, an order of magnitude higher than that of its homogeneous counterpart. This work highlights the opportunity in merging photoredox and organometallic catalysts in MOFs to effect challenging organic transformations.
Infinite Assembly of Folded Proteins in Evolution, Disease, and Engineering
Authors: Garcia‐Seisdedos Hector , Villegas José A. , Levy Emmanuel D. 
Published: August 2018

AbstractMutations and changes in a protein's environment are well known for their potential to induce misfolding and aggregation, including amyloid formation. Alternatively, such perturbations can trigger new interactions that lead to the polymerization of folded proteins. In contrast to aggregation, this process does not require misfolding and, to highlight this difference, we refer to it as agglomeration. This term encompasses the amorphous assembly of folded proteins as well as the polymerization in one, two, or three dimensions. We stress the remarkable potential of symmetric homo‐oligomers to agglomerate even by single surface point mutations, and we review the double‐edged nature of this potential: how aberrant assemblies resulting from agglomeration can lead to disease, but also how agglomeration can serve in cellular adaptation and be exploited for the rational design of novel biomaterials.
Realization of an Al≡Al Triple Bond in the Gas‐Phase Na3Al2− Cluster via Double Electronic Transmutation
Authors: Zhang Xinxing , Popov Ivan A. , Lundell Katie A. , Wang Haopeng , Mu Chaonan , Wang Wei , Schnöckel Hansgeorg , Boldyrev Alexander I. , Bowen Kit H. 
Published: August 2018

AbstractThe discovery of homodinuclear multiple bonds composed of Group 13 elements represents one of the most challenging frontiers in modern chemistry. A classical triple bond such as N≡N and HC≡CH contains one σ bond and two π bonds constructed from the p orbitals perpendicular to the σ bond. However, the traditional textbook triple bond between two Al atoms has remained elusive. Here we report an Al≡Al triple bond in the designer Na3Al2− cluster predicted in silico, which was subsequently generated by pulsed arc discharge followed by mass spectrometry and photoelectron spectroscopy characterizations. Being effectively Al2− due to the electron donation from Na, the Al atoms in Na3Al2− undergo a double electronic transmutation into Group 15 elements, thus the Al2−≡Al2− kernel mimics the P≡P and N≡N molecules. We anticipate this work will stimulate more endeavors in discovering materials using Al2−≡Al2− as a building block in the gas phase and in the solid state.
Ir‐SpinPHOX Catalyzed Enantioselective Hydrogenation of 3‐Ylidenephthalides
Authors: Ge Yao , Han Zhaobin , Wang Zheng , Feng Chen‐Guo , Zhao Qian , Lin Guo‐Qiang , Ding Kuiling 
Published: August 2018

AbstractThe first asymmetric hydrogenation of 3‐ylidenephthalides has been developed using the IrI complex of a spiro[4,4]‐1,6‐nonadiene‐based phosphine‐oxazoline ligand (SpinPHOX) as the catalyst, affording a wide variety of chiral 3‐substituted phthalides in excellent enantiomeric excesses (up to 98 % ee). The utility of the protocol has been demonstrated in the asymmetric synthesis of chiral drugs NBP and BZP precursor, as well as the natural products chuangxinol and typhaphthalide.
Theory Meets Experiment for Noncovalent Complexes: The Puzzling Case of Pnicogen Interactions
Authors: Li Weixing , Spada Lorenzo , Tasinato Nicola , Rampino Sergio , Evangelisti Luca , Gualandi Andrea , Cozzi Pier Giorgio , Melandri Sonia , Barone Vincenzo , Puzzarini Cristina 
Published: August 2018

AbstractA gas‐phase nitrogen–nitrogen noncovalent interaction has been unveiled in the nitroethane–trimethylamine complex in an environment free from solvent and matrix effects using rotational spectroscopy in supersonic expansion. Different quantum chemical models (NOCV/CD and NBO) agree in indicating that this interaction largely prevails over the C−H⋅⋅⋅O and C−H⋅⋅⋅N hydrogen bonds. Furthermore, a SAPT analysis shows that electrostatic and dispersion interactions play a comparable role in stabilizing the complex. The conformational landscape exploration and stationary points characterization have been performed using state‐of‐the‐art quantum‐chemical computations providing significant insights on structure determination.
A Stable Antiaromatic 5,20‐Dibenzoyl [28]Hexaphyrin(1.1.1.1.1.1): Core AuIII Metalation and Subsequent Peripheral BIII Metalation
Authors: Ishida Shin‐ichiro , Soya Takanori , Osuka Atsuhiro 
Published: August 2018

Abstract5,20‐Dibenzoyl [28]hexaphyrin(1.1.1.1.1.1) was synthesized as the first hexaphyrin bearing meso‐aroyl substituents. The meso‐dibenzoyl substituents are hydrogen‐bonded with the pyrrolic protons to stabilize an antiaromatic dumbbell conformer. Core metalation of this hexaphyrin with AuIII afforded rectangular and aromatic [26]hexaphyrin bis‐AuIII complexes, the major isomer of which was reduced with NaBH4 to give its antiaromatic 28π bis‐AuIII complex. This complex allowed facile peripheral metalation with BIII owing to the peripheral benzoyl substituents.
Catalytic Hydrogenation of Cyclic Carbonates using Manganese Complexes
Authors: Kaithal Akash , Hölscher Markus , Leitner Walter 
Published: August 2018

AbstractCatalytic hydrogenation of cyclic carbonates to diols and methanol was achieved using a molecular catalyst based on earth‐abundant manganese. The complex [Mn(CO)2(Br)[HN(C2H4PiPr2)2] 1 comprising commercially available MACHO ligand is an effective pre‐catalyst operating under relatively mild conditions (T=120 °C, p(H2)=30–60 bar). Upon activation with NaOtBu, the formation of coordinatively unsaturated complex [Mn(CO)2[N(C2H4PiPr2)2)] 5 was spectroscopically verified, which confirmed a kinetically competent intermediate. With the pre‐activated complex, turnover numbers up to 620 and 400 were achieved for the formation of the diol and methanol, respectively. Stoichiometric reactions under catalytically relevant conditions provide insight into the stepwise reduction form the CO2 level in carbonates to methanol as final product.
Total Synthesis of C30 Botryococcene and epi‐Botryococcene by a Diastereoselective Ring Opening of Alkenylcyclopropanes
Authors: Cormier Morgan , de la Torre Aurélien , Marek Ilan 
Published: August 2018

AbstractTrialkylaluminum compounds perform a diastereoselective 1,6‐ring fragmentation of alkenylcyclopropane. This new tool allows the preparation of hydrocarbon compounds containing two distant stereocenters with a good diastereocontrol. Inspired by the biosynthesis of botryococcene this methodology was applied successfully to the diastereo‐ and enantioselective preparation of this triterpene and its epimer.
The combined effect of plasticizers and graphene on properties of poly(lactic acid)
Authors: da Silva Josiani Aparecida , Dalmolin Carla , Pachekoski Wagner M. , Becker Daniela 
Published: August 2018

ABSTRACTPoly(lactic acid)’s (PLA) mechanical and barrier properties depend on the solid‐state morphology and crystallinity. To overcome those limitations, plasticizers and nanoparticles are added. Common plasticizers for PLA, such as poly(ethyleneglycol) (PEG) and dibutyl sebacate (DBS), as well as graphene, were used in this work. Therefore, the combined effects of such additions in PLA's mechanical, thermal, and electrical properties were evaluated. The relation between graphene concentration and dispersion was different when DBS or PEG was used. The best dispersion was observed with the lowest (0.25% wt) graphene concentration in the composites with DBS. When PEG was used as plasticizer, the highest (0.5% wt) concentrations of graphene resulted in good dispersion. The best Young's modulus results were observed in the nanocomposites with better graphene dispersion, but the presence of graphene agglomerates seemed to lower the charge transfer resistance, probably because they prevent the plasticizers’ diffusion to the surface and the formation of a second phase. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2018,135, 46745.
Indolo[3,2‐b]carbazole‐based poly(arylene ethynylene)s through Sonogashira coupling for optoelectronic and sensing applications
Authors: Vintu M. , Unnikrishnan G. , Shiju E. , Chandrasekharan K. 
Published: August 2018

ABSTRACTTwo indolo[3,2‐b]carbazole (ICZ)‐based polymers have been designed and synthesized using Sonogashira cross‐coupling based on dibromoindolo[3,2‐b]carbazoles and 2,7‐diethynylfluorene or 9,10‐diethynylanthracene. The 2, 8 positions of the ICZ moiety has been used for the bridging of arylene ethynylene structure to form the polymer backbone. The characterization has been done by Fourier transform infrared, proton nuclear magnetic resonance, ultraviolet–visible and (UV–vis) fluorescence spectroscopic methods. The polymers, moderately soluble in aprotic and chlorinated solvents, have been found to possess thermal stability above 300°C. The band gap examinations, executed through cyclic voltammetry and complemented by UV–vis studies, indicated their semiconducting nature and the possibility for their utilization for the fabrication of polymer solar cells and for optical switching applications. Interestingly, the new diethynylindolocarbazole systems have been found to act as Bronsted acid sensors as well as a Hg2+ receptors. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 46940
Viscous, damping, and mechanical properties of epoxy asphalt adhesives containing different penetration‐grade asphalts
Authors: Sun Yifan , Gong Jie , Liu Ya , Jiang Yongjia , Xi Zhonghua , Cai Jun , Xie Hongfeng 
Published: August 2018

ABSTRACTEpoxy asphalt adhesive (EAA) is a thermosetting polymer modified asphalt that has been widely applied on steel bridge decks as a strong adhesive and waterproof layers. In this study, the influence of the asphalt penetration grade on the viscosity, damping and mechanical properties, bond strength, and microstructures of EAAs was investigated. The viscosity of the EAAs increased with increasing asphalt penetration grade. The presence of base asphalt increased the glass‐transition temperature (Tg) of the neat epoxy. The asphalt penetration grade had a negligible effect on theTgvalues of the EAAs. The existence of base asphalt improved the damping behaviors of the neat epoxy. Moreover, the damping properties of the EAAs increased with increasing asphalt penetration grade. The tensile strength, elongation at break, and bond strength values of the EAAs increased with increasing asphalt penetration grade. The bond strengths of the EAAs were 7‐ to 10‐fold higher than that of the neat asphalt. The asphalt penetration grade had a negligible effect on the bond strengths of the EAAs. Morphological observations revealed that the average size of the dispersed asphalt particles in the epoxy decreased with increasing asphalt penetration grade. A more homogeneous phase separation was formed in the EAA with a higher penetration‐grade asphalt. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2019,136, 47027.
Development and characterization of microsatellite loci for the endemic Thalictrum smithii (Ranunculaceae)
Authors: Du Bin‐Bin , Zhan Ya , Li Jiao‐Kun , Chen Ying‐Zhuo , Tang Lu‐Lu 
Published: August 2018

Premise of the StudyMicrosatellite primers were developed for the gynodioecious Chinese endemic Thalictrum smithii (Ranunculaceae).Methods and ResultsThirty‐nine microsatellite primers were developed using the Fast Isolation by AFLP of Sequences COntaining repeats (FIASCO) method. Thirteen microsatellite loci were found to be highly polymorphic after screening 114 specimens (60 hermaphrodite and 54 female) from three T. smithii populations. The number of alleles per locus ranged from three to 13, and the levels of observed and expected heterozygosity per locus ranged from 0.000 to 1.000 and from 0.204 to 0.834, respectively. Twenty‐six of these primers were polymorphic in T. petaloideum and T. finetii.ConclusionsThese markers will be useful for examining genetic diversity, polyploidy, and mating system in populations of T. smithii and for guiding study on the evolution of speciation in Thalictrum.
Establishment and application of a method for screening the therapeutic drugs of ethanol‐induced liver injury based on cellular metabonomics
Authors: Zhang Linghao , Zhang Lina , Hu Qingping , Wei Jianteng , Wang Ningli , Di Duolong , Pei Dong , Liu Yewei 
Published: August 2018

AbstractA drug‐screening method to test the capacity of drugs to protect against ethanol‐induced liver injury based on cellular metabonomics was established and applied in this study. It screens for the ability to protect against ethanol‐induced liver injury by considering changes in the cellular metabolites of human normal liver L‐02 cells subjected to ethanol treatment. This method considers cellular metabolites as the main analytical index, principal component analysis and orthogonal partial least squares discriminant analysis as the main multi‐ and megavariate data analysis methods, and vitamin C as the standard substance to determine the ability to protect against ethanol‐induced liver injury. Ability to protect against ethanol‐induced liver injury unit = [190 − 50× (14.318 − 10 × Y predictive value)1/2] × ability 1 μg/mL vitamin C. Olive leaf extract, Lycium barbarum L extract and fish roe peptide were screened using the established methods. Olive leaf OP phase had the strongest ability to protect against ethanol‐induced liver injury, at 81.88. The value for L. barbarum L was 37.56. The fish roe peptide water phase was 63.07. All three have the ability to protect against ethanol‐induced liver injury. The drug‐screening method for ability to protect against ethanol‐induced liver injury based on cell metabonomics is a fast, accurate and effective method for quantitative detection of ability to protect against ethanol‐induced liver injury.
Characterization of disulfide linkages at the hinge region of IgG antibodies by HPLC mass spectrometry
Authors: You Jia , Shi Ying , Zhu Wenli , Wu Zhigang , Xiong Jingyuan 
Published: August 2018

AbstractThere are two types of disulfide linkages in IgG antibodies at the hinge region: intra‐ and inter‐disulfide linkages. Characterization of intra‐disulfide linked isomer will provide important information on the stability of the antibodies and better understanding of the mechanism of Fab‐arm exchange. In this report, HPLC coupled with high‐resolution mass spectrometry was applied for characterization of disulfide linkages in IgG antibodies at the hinge region. We were able to accurately identify both inter‐ and intra‐disulfide linked peptides and correctly quantify intra‐disulfide isomers. It is the first study to quantify intra‐disulfide isomers in IgG antibodies with a mass spectrometry approach. It will help to achieve efficient generation of bispecific antibodies with Fab‐arm exchange.