bluuebunny/crossref_metadata_2025 huggingface dataset:
Controlled synthesis of bismuth-containing compounds (α-, β- and δ-Bi2O3, Bi5O7NO3 and Bi6O6(OH)2(NO3)4·2H2O) and their photocatalytic performance
Authors: Gong Shu , Han Qiaofeng , Wang Xin , Zhu Junwu
Published: October 2015

A series of bismuth-containing compounds including α-, β- and δ-Bi2O3, Bi5O7NO3 and Bi6O6(OH)2(NO3)4·2H2O could be easily prepared by varying the base and solvent.
The growth of hexagonal bipyramids and X- and polycrystal-shaped twins of cholic acid during acidic hydrolysis of its ester hydrogel
Authors: Wang Xudong , Duan Yueqin , Li Chenxi , Lu Yan
Published: October 2015

Hydrophobic swallowtail-shaped tetramers of cholic acid crystallize into X- and polycrystal-shaped twins.
Transformation kinetics of vapor-deposited thin film organic glasses: the role of stability and molecular packing anisotropy
Authors: Rodríguez-Tinoco Cristian , Gonzalez-Silveira Marta , Ràfols-Ribé Joan , Lopeandía Aitor F. , Rodríguez-Viejo Javier
Published: October 2015

The growth front velocity of indomethacin glasses depends on deposition conditions but is not unambigously determined by its thermodynamic stability when the structure is not completely isotropic.
Magnetism in olivine-type LiCo1−xFexPO4cathode materials: bridging theory and experiment
Authors: Singh Vijay , Gershinsky Yelena , Kosa Monica , Dixit Mudit , Zitoun David , Major Dan Thomas
Published: October 2015

This work demonstrates that inclusion of spin–orbit coupling in first-principles calculations is essential to obtain qualitative agreement with the observed effective magnetic moments in LiCo1−xFexPO4.
Bayesian inference of protein ensembles from SAXS data
Authors: Antonov L. D. , Olsson S. , Boomsma W. , Hamelryck T.
Published: October 2015

A probabilistic method infers ensembles of intrinsically disordered proteins (IDPs) by combining SAXS data with a force field.
Why solid oxide cells can be reversibly operated in solid oxide electrolysis cell and fuel cell modes?
Authors: Chen Kongfa , Liu Shu-Sheng , Ai Na , Koyama Michihisa , Jiang San Ping
Published: October 2015

The LSM electrode/YSZ electrolyte interface of solid oxide cells is reversible under cyclic SOFC cathodic and SOEC anodic operating conditions.
Impact of high-frequency ultrasound on nanocomposite microcapsules: in silico and in situ visualization
Authors: Korolovych V. F. , Grishina O. A. , Inozemtseva O. A. , Selifonov A. V. , Bratashov D. N. , Suchkov S. G. , Bulavin L. A. , Glukhova O. E. , Sukhorukov G. B. , Gorin D. A.
Published: October 2015

Simulation and direct visualization of high-frequency (1.2 MHz) ultrasound impact on microcapsules with ZnO nanoparticles embedded in the shell.
Defect chemistry and lithium transport in Li3OCl anti-perovskite superionic conductors
Authors: Lu Ziheng , Chen Chi , Baiyee Zarah Medina , Chen Xin , Niu Chunming , Ciucci Francesco
Published: October 2015

The defect chemistry and the associated lithium transport in Li3OCl anti-perovskite superionic conductors are studied using molecular dynamics and density functional theory.
Spatiotemporal dynamics of solvent-assisted lipid bilayer formation
Authors: Kim Min Chul , Gillissen Jurriaan J. J. , Tabaei Seyed R. , Zhdanov Vladimir P. , Cho Nam-Joon
Published: October 2015

Spatiotemporal dynamics of the solvent-assisted lipid bilayer (SALB) formation process are unraveled using a combination of experimental and theoretical approaches.
Ab initio pressure-dependent reaction kinetics of methyl propanoate radicals
Authors: Tan Ting , Yang Xueliang , Ju Yiguang , Carter Emily A.
Published: October 2015

The unimolecular dissociation and isomerization kinetics of the three methyl propanoate (MP) radicals, CH3CH2C(O)OĊH2 (MP-m), CH3ĊHC(O)OCH3 (MP-α), and ĊH2CH2C(O)OCH3 (MP-β), are theoretically investigated using high-level ab initio methods and the Rice–Ramsperger–Kassel–Marcus (RRKM)/master equation (ME) theory.
Theoretical study of the coordination behavior of formate and formamidoximate with dioxovanadium(v) cation: implications for selectivity towards uranyl
Authors: Mehio Nada , Johnson J. Casey , Dai Sheng , Bryantsev Vyacheslav S.
Published: October 2015

Poly(acrylamidoxime)-based fibers bearing random mixtures of carboxylate and amidoxime groups are the most widely utilized materials for extracting uranium from seawater.
Copper(ii) complexes of terminally free alloferon mutants containing two histidyl binding sites inside peptide chain structure and stability
Authors: Kadej Agnieszka , Kuczer Mariola , Kowalik-Jankowska Teresa
Published: October 2015

The characterization of Cu(ii) complexes with alloferon 1 mutants H1A/H12A, H1A/H9A and H1A/H6A by potentiometry, CD, UV-Vis and EPR spectroscopic techniques, and ESI-MS spectrometry is reported.
NBu4SH provides a convenient source of HS− soluble in organic solution for H2S and anion-binding research
Authors: Hartle Matthew D. , Meininger Daniel J. , Zakharov Lev N. , Tonzetich Zachary J. , Pluth Michael D.
Published: October 2015

We report here a simple method to prepare and characterize analytically-pure NBu4SH, which provides access to an organic-soluble source of HS−.
A frustrated ferrimagnet Cu5(VO4)2(OH)4 with a 1/5 magnetization plateau on a new spin-lattice of alternating triangular and honeycomb strips
Authors: Zhang Su-Yun , Guo Wen-Bin , Yang Ming , Tang Ying-Ying , Cui Mei-Yan , Wang Nan-Nan , He Zhang-Zhen
Published: October 2015

Cu5(VO4)2(OH)4 displays ferrimagnetism with an unusual 1/5 magnetization plateau arising from the spin-arrangements of its 1/6 depleted triangular-lattice.
Correction: Significant differences of monooxotungsten(iv) and dioxotungsten(vi) benzenedithiolates containing two intramolecular NH⋯S hydrogen bonds from molybdenum analogues
Authors: Okamura Taka-aki , Omi Yui , Fujii Manami , Tatsumi Miki , Onitsuka Kiyotaka
Published: October 2015

Correction for ‘Significant differences of monooxotungsten(iv) and dioxotungsten(vi) benzenedithiolates containing two intramolecular NH⋯S hydrogen bonds from molybdenum analogues’ by Taka-aki Okamura et al., Dalton Trans., 2015, 44, 18090–18100.
Research highlights: visible light driven photocatalysis and photoluminescence and their applications in water treatment
Authors: Zheng Qinmin , Tan David T. , Shuai Danmeng
Published: October 2015

We discuss three innovative materials used in photocatalysis and photoluminescence for water treatment applications, including graphitic carbon nitride (g-C3N4), red phosphorus, and upconversion phosphors (Y2SiO5 doped with Pr and Li).
Butadiene from biomass, a life cycle perspective to address sustainability in the chemical industry
Authors: Cespi D. , Passarini F. , Vassura I. , Cavani F.
Published: October 2015

A multi-criteria approach based on life cycle thinking is proposed to investigate the production of 1,3-butadiene.
Removal of spectral interferences on noble metal elements using MS/MS reaction cell mode of a triple quadrupole ICP-MS
Authors: Sugiyama Naoki , Shikamori Yasuyuki
Published: October 2015

Complex spectral interference on eight noble metal elements was removed by using a MS/MS reaction cell of triple quadrupole ICP-MS using NH3 cell gas.
Accuracy of laser-ablation (LA)-MC-ICPMS Sr isotope analysis of (bio)apatite – a problem reassessed
Authors: Müller Wolfgang , Anczkiewicz Robert
Published: October 2015

Accurate in situ Sr isotope analysis of (bio)apatite via ‘robust-plasma’ laser-ablation MC-ICPMS with negligible 40Ca31P16O and reliable 87Rb interference correction.
The synergic effect of microwave and ultraviolet radiation for chocolate digestion and further determination of As, Cd, Ni and Pb by ICP-MS
Authors: Hartwig Carla A. , Pereira Rodrigo M. , Rondan Filipe S. , Cruz Sandra M. , Duarte Fabio A. , Flores Erico M. M. , Mesko Marcia F.
Published: October 2015

A new method based on synergism between MW and UV radiation was proposed for chocolate digestion using diluted HNO3for subsequent determination of As, Cd, Ni and Pb by ICP-MS.
Reusable acoustic tweezers for disposable devices
Authors: Guo Feng , Xie Yuliang , Li Sixing , Lata James , Ren Liqiang , Mao Zhangming , Ren Baiyang , Wu Mengxi , Ozcelik Adem , Huang Tony Jun
Published: October 2015

Reusable acoustic tweezers used for disposable devices are demonstrated using locally transmitted standing surface acoustic waves.
Understanding the impact of Fc glycosylation on its conformational changes by molecular dynamics simulations and bioinformatics
Authors: Zhang Yubo
Published: October 2015

N-linked glycosylation of Fc at N297 plays an important role in its effector function, aberrance of which would cause disease pathogenesis.
Performance study of magnesium–sulfur battery using a graphene based sulfur composite cathode electrode and a non-nucleophilic Mg electrolyte
Authors: Vinayan B. P. , Zhao-Karger Zhirong , Diemant Thomas , Chakravadhanula Venkata Sai Kiran , Schwarzburger Nele I. , Cambaz Musa Ali , Behm R. Jürgen , Kübel Christian , Fichtner Maximilian
Published: October 2015

A magnesium–sulfur battery using a graphene based sulfur composite as a cathode electrode and non-nucleophilic Mg complex as an electrolyte.
MPA-capped CdTe quantum dots exposure causes neurotoxic effects in nematode Caenorhabditis elegans by affecting the transporters and receptors of glutamate, serotonin and dopamine at the genetic level, or by increasing ROS, or both
Authors: Wu Tianshu , He Keyu , Zhan Qinglin , Ang Shengjun , Ying Jiali , Zhang Shihan , Zhang Ting , Xue Yuying , Tang Meng
Published: October 2015

As quantum dots (QDs) are widely used in biomedical applications, the number of studies focusing on their biological properties is increasing.
Phase transfer of 1- and 2-dimensional Cd-based nanocrystals
Authors: Kodanek Torben , Banbela Hadeel M. , Naskar Suraj , Adel Patrick , Bigall Nadja C. , Dorfs Dirk
Published: October 2015

1- and 2-dimensional luminescent CdSe–CdS nano-heterostructures were successfully transferred into aqueous phase via ligand exchange with bifunctional thiol-based molecules.
One-pot synthesis of carbazoles via tandem C–C cross-coupling and reductive amination
Authors: Goo Deuk-Young , Woo Sang Kook
Published: October 2015

We have developed a highly efficient synthetic route to carbazoles that employs sequential C–C/C–N bond formation via Suzuki cross-coupling and Cadogan cyclization. The developed method is compatible with electron neutral, rich or deficient substrates. The synthetic utility of this method was demonstrated by the concise syntheses of four natural products.
Correction: Energetic polymeric networks prepared via a solvent- and catalyst-free thermal cycloaddition of azide-bearing polymers with alkynes and hydroxyl-isocyanate addition reactions
Authors: Min Byoung Sun , Jeon Heung Bae , Jeong Tae Uk , Kim Sang Youl
Published: October 2015

Correction for ‘Energetic polymeric networks prepared via a solvent- and catalyst-free thermal cycloaddition of azide-bearing polymers with alkynes and hydroxyl-isocyanate addition reactions’ by Byoung Sun Min, et al., Polym. Chem., 2015, DOI: 10.1039/c5py01276g.
Regioselective palladium(ii)-catalyzed aerobic oxidative Heck-type C3 alkenylation of sulfocoumarins
Authors: Kim Namhoon , Min Minsik , Hong Sungwoo
Published: October 2015

An efficient method for the direct C–H olefination of sulfocoumarins with a wide range of alkenes is developed. Moreover, O2 was successfully utilized as the sole oxidant for the oxidative Heck reaction. This approach enables the rapid generation of various 3-alkenylated sulfocoumarins.
Face-to-face stacking in sulfonamide based bis-ethylene bridged heteroaromatic dimers
Authors: Kumar Ranjeet , Rai Sunil K. , Singh Praveen , Gaurav Archana , Yadav Pratima , Khanna Ranjana S. , Gupta Hariom , Tewari Ashish K.
Published: October 2015

Four sulfonamide based bis-ethylene bridged heteroaromatic dimers were crystallized in offset face-to-face stacked geometry. Further, density functional theory revealed that crystallized structures were the most stable conformers.
Design and discovery of tyrosinase inhibitors based on a coumarin scaffold
Authors: Matos M. J. , Varela C. , Vilar S. , Hripcsak G. , Borges F. , Santana L. , Uriarte E. , Fais A. , Di Petrillo A. , Pintus F. , Era B.
Published: October 2015

A novel series of 3-aryl and 3-heteroarylcoumarins displaying tyrosinase inhibitory activity.
Structures and electronic properties of GaSe and GaS nanoribbons
Authors: Zhou Jia
Published: October 2015

The structures and electronic properties of armchair and zigzag GaSe and GaS nanoribbons have been studied by DFT calculations.
An efficient quasi solid state dye sensitized solar cell based on polyethylene glycol/graphene nanosheet gel electrolytes
Authors: Nath Bikash Chandra , Das Dhaneswar , Kamrupi Isha Ruhulla , Mohan Kiran Jyoti , Ahmed Gazi Ameen , Dolui Swapan Kumar
Published: October 2015

A poly(ethylene glycol)/graphene nanosheet quasi solid gel electrolyte was synthesized using an in situ polymerization technique for dye-sensitized solar cells (DSSCs).
A domino green method for the rapid synthesis of novel fused isoquinoline derivatives via Knoevenagel/Michael/cyclization reactions on aqueous media and their photophysical properties
Authors: Satish Kumar Nandigama , Chandrasekhara Rao L. , Jagadeesh Babu N. , Meshram H. M.
Published: October 2015

An expedient, eco-friendly and green-protocol has been developed for the synthesis of novel 4-imino-2-aryl-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile derivatives via Knoevenagel/Michael/cyclisation reactions in one pot under catalyst-free conditions on aqueous media.
Selective adsorption of Cu(ii) from an aqueous solution by ion imprinted magnetic chitosan microspheres prepared from steel pickling waste liquor
Authors: Cai Yuling , Zheng Liuchun , Fang Zhanqiang
Published: October 2015

To reduce costs and improve practicability, IMCS was synthesized through co-precipitation using steel pickling waste liquor and chitosan and Cu(ii) as template ions, which was then characterized by TEM, SEM, EDX, FTIR, XRD and VSM.
Synthesis of Mo-doped WO3 nanosheets with enhanced visible-light-driven photocatalytic properties
Authors: Li Naixu , Teng Hongcheng , Zhang Li , Zhou Jiancheng , Liu Maochang
Published: October 2015

Ion doping provides a powerful means for the fabrication of a functionalized photocatalyst that is both active and stable.
Design, synthesis, anticonvulsant and analgesic studies of new pyrazole analogues: a Knoevenagel reaction approach
Authors: Viveka Shivapura , Dinesha Dinesha , Shama Prasanna , Naveen Shivalingegowda , Lokanath Neratur Krishnappagowda , Nagaraja Gundibasappa Karikannar
Published: October 2015

Compounds1a,4aand7a(76.58, 79.76 and 78 94% protection) shows potent anticonvulsant activity compounds1b,5a,5b,7aand7bshowed good analgesic property.
Enantiomer separation of propranolol and tryptophan using bovine serum albumin functionalized silica nanoparticles as adsorbents
Authors: Li Wei , Ding Guo-Sheng , Tang An-Na
Published: October 2015

The immobilization of popular chiral selectors on the surface of nanomaterials to prepare new chiral adsorbents for preparative chiral separation is a research hotspot in separation science nowadays.
Nitrogen-doped carbon dots as fluorescent probe for detection of curcumin based on the inner filter effect
Authors: Zhang Qingyan , Zhang Caihong , Li Zengbo , Ge Jinyin , Li Chenzhong , Dong Chuan , Shuang Shaomin
Published: October 2015

A facile, economical and green one-step hydrothermal method for N-doped CDs was presented by using citric acid as carbon source and urea as nitrogen source. The fluorescence of N-doped CDs quenched dramatically from curcumin via inner filter effect.
Incorporation of 1,4-cyclohexanedicarboxylic acid into poly(butylene terephthalate)-b-poly(tetramethylene glycol) to alter thermal properties without compromising tensile and elastic properties
Authors: Liu Fei , Zhang Junwu , Wang Jinggang , Na Haining , Zhu Jin
Published: October 2015

Incorporation of 1,4-cyclohexanedicarboxylic acid to partially replace terephthalic acid results in a thermoplastic elastomer with decreased melting temperature and increased thermal stability while tensile and elastic properties remain unchanged.
Catalytic pyrolysis of lignocellulosic bio-packaging (jute) waste – kinetics using lumped and DAE (distributed activation energy) models and pyro-oil characterization
Authors: Poddar S. , De S. , Chowdhury R.
Published: October 2015

The present study concentrates on the catalytic pyrolysis of a waste bio-packaging material, namely, jute, under iso-thermal and non-isothermal conditions using a 50 mm diameter and 164 mm long semi-batch pyrolyzer and a TGA set-up, respectively.
Facile fabrication of N-doped hierarchical porous carbon@CNT coaxial nanocables with high performance for energy storage and conversion
Authors: Li Yuanyuan , Xia Wei , Zou Ruqiang , Zhang Jianan , Chen Zhimin , Xu Qun
Published: October 2015

N-Doped hierarchical porous carbon@CNT coaxial nanocables were facilely synthesized and demonstrated to be an ideal carbon nanostructure for electrochemical performance optimization for supercapacitors and in the oxygen reduction reaction.
Simple synthesis 11-substituted norcryptotackieine derivatives
Authors: Nowacki Michał , Wojciechowski Krzysztof
Published: October 2015

11-Substituted indolo[2,3-b]quinolines were obtained in reactions ofN-protected indol-3-yl-acetonitrile, -acetate, and -methylsulfone with nitrobenzene derivatives in presence of base and trialkylchlorosilanes.
Effect of high molecular weight hyaluronic acid on chondrocytes cultured in collagen/hyaluronic acid porous scaffolds
Authors: Chen Shangwu , Zhang Qin , Kawazoe Naoki , Chen Guoping
Published: October 2015

The effects of high molecular weight hyaluronic acid (HA) in porous scaffolds on chondrocytes were studied by using homogeneous collagen/HA scaffolds with controlled pore structure.
A new design strategy on cage insensitive high explosives: symmetrically replacing carbon atoms by nitrogen atoms followed by the introduction of N-oxides
Authors: Wu Qiong , Tan Linghua , Hang Zusheng , Wang Jingyi , Zhang Zewu , Zhu Weihua
Published: October 2015

A new insensitive high explosive with the special double cage structure.
Tunable white-light emission via energy transfer in single-phase LiGd(WO4)2:Re3+ (Re = Tm, Tb, Dy, Eu) phosphors for UV-excited WLEDs
Authors: Zhang Yang , Gong Weitao , Yu Jingjie , Lin Yuan , Ning Guiling
Published: October 2015

Novel single-phase white-light-emitting phosphors have been successfully synthesized by a solid-state reaction and their photoluminescence properties and energy transfer mechanism have been carefully investigated.
Calliviminones C–H: six new hetero- and carbon-Diels–Alder adducts with unusual skeletons from the fruits of Callistemon viminalis
Authors: Wu Lin , Luo Jun , Wang Xiao-bing , Li Rui-jun , Zhang Ya-long , Kong Ling-Yi
Published: October 2015

Calliviminones C–H (1–6), six novel Diels–Alder adducts of a polymethylated phloroglucinol derivative and acyclic monoterpene (myrcene), were isolated from the fruits of Callistemon viminalis.
Azide as an oxidant in the cathodic reaction of bioelectrochemical systems (BESs)
Authors: Zhou Xiangtong , Qu Youpeng , Kim Byung Hong , Du Yue , Li Da , Liu Jia , Feng Yujie
Published: October 2015

Azide could be an oxidant at the abiotic cathode of a BES, where it accepts electrons from acetate oxidation at the anode. Electron balance demonstrated that azide reduction was an eight electron reaction, with ammonia as the only product.
Nanostructured oxytyramine catalyst for the facile one-pot synthesis of cyclohexanecarbonitrile derivatives
Authors: Arora Priya , Rajput Jaspreet Kaur , Singh Harminder
Published: October 2015

A magnetic, recyclable heterogeneous organocatalyst, OT@Si@SPIONs, has been developed for the facile synthesis of cyclohexanecarbonitriles.
Discovery and identification of Cdc37-derived peptides targeting the Hsp90–Cdc37 protein–protein interaction
Authors: Wang Lei , Bao Qi-Chao , Xu Xiao-Li , Jiang Fen , Gu Kai , Jiang Zheng-Yu , Zhang Xiao-Jin , Guo Xiao-Ke , You Qi-Dong , Sun Hao-Peng
Published: October 2015

In order to explore the key residues of the Hsp90–Cdc37 binding interface for further design of peptide inhibitors, a combined strategy of molecular dynamics simulation and MM-PBSA analysis was performed.
A heterogeneous mercury salt catalyst stabilized by m-carbaborane
Authors: Yamamoto Hirofumi , Yamasaki Naoto , Hamauchi Hiroshi , Shiomi Shinya , Sasaki Ikuo , Seyama Koichiro , Mima Yasuko , Nakano Mayo , Kawakami Takashige , Miyataka Hideki , Kasai Yusuke , Imagawa Hiroshi
Published: October 2015

A novel hetergeneous mercury salt catalyst stabilized by m-carbaborane can be used and reused for various chemical reactions without leaching the metal.
A highly selective near-infrared fluorescent probe for imaging H2Se in living cells and in vivo
Authors: Kong Fanpeng , Ge Lihong , Pan Xiaohong , Xu Kehua , Liu Xiaojun , Tang Bo
Published: October 2015

The first near-infrared fluorescent probe to detect H2Se with high sensitivity was explored in living cells and in mice.
Enantioselective synthesis of α-alkenyl α-amino acids via N–H insertion reactions
Authors: Guo Jun-Xia , Zhou Ting , Xu Bin , Zhu Shou-Fei , Zhou Qi-Lin
Published: October 2015

A new highly enantioselective route to α-alkenyl α-amino acid derivatives using a N–H insertion reaction of vinyldiazoacetates and tert-butyl carbamate cooperatively catalyzed by achiral dirhodium(ii) carboxylates and chiral spiro phosphoric acids was developed.
The stabilisation of the Nxphase in mixtures
Authors: Ramou E. , Ahmed Z. , Welch C. , Karahaliou P. K. , Mehl G. H.
Published: October 2015

The phase behaviour of mixtures between two symmetric dimers, CBC9CB and the ether-linked analogue CBOC9OCB was investigated by Polarizing Optical Microscopy (POM), Differential Scanning Calorimetry (DSC) and X-Ray Diffraction (XRD) studies.
Reduced common‐mode voltage operation of a new seven‐level hybrid multilevel inverter topology with a single DC voltage source
Authors: Rahul Sanjeevan Arun , Kaarthik R. Sudharshan , Gopakumar K. , Rajeevan P.P. , Leon Jose I. , Franquelo Leopoldo G.
Published: October 2015

In this study, analysis of extending the linear modulation range of a zero common‐mode voltage (CMV) operated n‐level inverter by allowing reduced CMV switching is presented. A new hybrid seven‐level inverter topology with a single DC supply is also presented in this study and inverter operation for zero and reduced CMV is analysed. Each phase of the inverter is realised by cascading two three‐level flying capacitor inverters with a half‐bridge module in between. Proposed inverter topology is operated with zero CMV for modulation index <86% and is operated with a CMV magnitude of Vdc/18 to extend the modulation range up to 96%. Experimental results are presented for zero CMV operation and for reduced common voltage operation to extend the linear modulation range. A capacitor voltage balancing algorithm is designed utilising the pole voltage redundancies of the inverter, which works for every sampling instant to correct the capacitor voltage irrespective of load power factor and modulation index. The capacitor voltage balancing algorithm is tested for different modulation indices and for various transient conditions, to validate the proposed topology.
Strictly Intraventricular Craniopharyngioma: Case Report and Literature Review
Authors: Cunha Marcelo , Pletz Ana
Published: October 2015

Strictly intraventricular craniopharyngiomas are a rare topographical variety of craniopharyngiomas. The correct diagnosis is important in order to define the surgical planning, as the surgical access is different for suprasellar tumors with secondary invasion of the third ventricle. An image diagnosis may be difficult, though suggestive patterns exist. The aim of the present case report and literature review is to add to the scarce literature on strictly intraventricular craniopharyngiomas, as well as to remind the neurosurgeon of this rare diagnosis so that the proper treatment is provided.
Opportunity Cost of Surgical Management of Craniomaxillofacial Trauma
Authors: Moses Helen , Powers David , Keeler Jarrod , Erdmann Detlev , Marcus Jeff , Puscas Liana , Woodard Charles
Published: October 2015

The provision of trauma care is a financial burden, continually associated with low reimbursement, and shifts the economic burden to major trauma centers and providers. Meanwhile, the volume of craniomaxillofacial (CMF) trauma and the number of surgically managed facial fractures are unchanged. Past financial analyses of cost and reimbursement for facial trauma are limited to mandibular and midface injuries, consistently revealing low reimbursement. The incurred financial burden also coincides with the changing landscape of health insurance. The goal of this study is to determine the opportunity cost of operative management of facial trauma at our institution. From our CMF database of greater than 3,000 facial fractures, the physician charges, collections, and relative value units (RVUs) for CMF trauma per year from 2007 to 2013 were compared with a general plastic surgery and otolaryngology population undergoing operative management during this same period. Collection rates were analyzed to assess if a significant difference exists between reimbursement for CMF and non-CMF cases. Results revealed a significant difference between the professional collection rate for operative CMF trauma and that for other operative procedures (17.25 vs. 29.61%, respectively; p < 0.0001). The average number of RVUs billed per provider for CMF trauma declines significantly, from greater than 700 RVUs to 300 over the study period, despite a stable volume. Surgical management of CMF trauma generates an unfavorable financial environment. The large opportunity cost associated with offering this service is a potential threat to the sustainability of providing care for this population.
The RHIC polarized H− ion source
Authors: Zelenski A. , Atoian G. , Raparia D. , Ritter J. , Steski D.
Published: October 2015

A novel polarization technique had been successfully implemented for the Relativistic Heavy Ion Collider (RHIC) polarized H− ion source upgrade to higher intensity and polarization. In this technique, a proton beam inside the high magnetic field solenoid is produced by ionization of the atomic hydrogen beam (from external source) in the He-gaseous ionizer cell. Further proton polarization is produced in the process of polarized electron capture from the optically pumped Rb vapor. The use of high-brightness primary beam and large cross sections of charge-exchange cross sections resulted in production of high intensity H− ion beam of 85% polarization. The source very reliably delivered polarized beam in the RHIC Run-2013 and Run-2015. High beam current, brightness, and polarization resulted in 75% polarization at 23 GeV out of Alternating Gradient Synchrotron (AGS) and 60%-65% beam polarization at 100-250 GeV colliding beams in RHIC.
Preface to Special Topic: Plasmas for Medical Applications
Authors: Keidar Michael , Robert Eric
Published: October 2015

Intense research effort over last few decades in low-temperature (or cold) atmospheric plasma application in bioengineering led to the foundation of a new scientific field, plasma medicine. Cold atmospheric plasmas (CAP) produce various chemically reactive species including reactive oxygen species (ROS) and reactive nitrogen species (RNS). It has been found that these reactive species play an important role in the interaction of CAP with prokaryotic and eukaryotic cells triggering various signaling pathways in cells.
Electron affinity of cubic boron nitride terminated with vanadium oxide
Authors: Yang Yu , Sun Tianyin , Shammas Joseph , Kaur Manpuneet , Hao Mei , Nemanich Robert J.
Published: October 2015

A thermally stable negative electron affinity (NEA) for a cubic boron nitride (c-BN) surface with vanadium-oxide-termination is achieved, and its electronic structure was analyzed with in-situ photoelectron spectroscopy. The c-BN films were prepared by electron cyclotron resonance plasma-enhanced chemical vapor deposition employing BF3 and N2 as precursors. Vanadium layers of ∼0.1 and 0.5 nm thickness were deposited on the c-BN surface in an electron beam deposition system. Oxidation of the metal layer was achieved by an oxygen plasma treatment. After 650 °C thermal annealing, the vanadium oxide on the c-BN surface was determined to be VO2, and the surfaces were found to be thermally stable, exhibiting an NEA. In comparison, the oxygen-terminated c-BN surface, where B2O3 was detected, showed a positive electron affinity of ∼1.2 eV. The B2O3 evidently acts as a negatively charged layer introducing a surface dipole directed into the c-BN. Through the interaction of VO2 with the B2O3 layer, a B-O-V layer structure would contribute a dipole between the O and V layers with the positive side facing vacuum. The lower enthalpy of formation for B2O3 is favorable for the formation of the B-O-V layer structure, which provides a thermally stable surface dipole and an NEA surface.
Absolute NMR shielding scales and nuclear spin–rotation constants in 175LuX and 197AuX (X = 19F, 35Cl, 79Br and 127I)
Authors: Demissie Taye B. , Jaszuński Michał , Komorovsky Stanislav , Repisky Michal , Ruud Kenneth
Published: October 2015

We present nuclear spin–rotation constants, absolute nuclear magnetic resonance (NMR) shielding constants, and shielding spans of all the nuclei in 175LuX and 197AuX (X = 19F, 35Cl, 79Br, 127I), calculated using coupled-cluster singles-and-doubles with a perturbative triples (CCSD(T)) correction theory, four-component relativistic density functional theory (relativistic DFT), and non-relativistic DFT. The total nuclear spin–rotation constants determined by adding the relativistic corrections obtained from DFT calculations to the CCSD(T) values are in general in agreement with available experimental data, indicating that the computational approach followed in this study allows us to predict reliable results for the unknown spin–rotation constants in these molecules. The total NMR absolute shielding constants are determined for all the nuclei following the same approach as that applied for the nuclear spin–rotation constants. In most of the molecules, relativistic effects significantly change the computed shielding constants, demonstrating that straightforward application of the non-relativistic formula relating the electronic contribution to the nuclear spin–rotation constants and the paramagnetic contribution to the shielding constants does not yield correct results. We also analyze the origin of the unusually large absolute shielding constant and its relativistic correction of gold in AuF compared to the other gold monohalides.
Magneto-transport and Kondo effect in cobalt doped Bi2Se3 topological insulators
Authors: Irfan Bushra , Chatterjee Ratnamala
Published: October 2015

Weak magnetic perturbation on the surface of topological insulators breaks the time reversal symmetry and opens the energy gap. We report the effect of cobalt doping in Bi2Se3 single crystals grown by the modified Bridgeman technique. The magnetic susceptibility of the cobalt doped Bi2Se3 changes from diamagnetic to paramagnetic at room temperature and then to ferromagnetic at 2 K. The Kondo effect was observed in bulk crystals for Bi1.8Co0.2Se3 (i.e., 10% Co doped in Bi2Se3), whereas the lower doping of cobalt results in a simple metallic behavior. In order to study the surface properties, the devices were fabricated on mechanically exfoliated thin (∼70 nm) flakes of Bi1.8Co0.2Se3 obtained from the bulk crystal. Semiconducting behavior can be clearly seen in Bi1.8Co0.2Se3 devices at T > 40 K, and the Kondo effect was observed when the temperature was below 40 K. In the Bi1.8Co0.2Se3 device, the weak antilocalization to weak localization transition observed in magnetoresistance behavior at T ∼ 40 K indicates the band opening at the Dirac point.
Kinetics of protein adsorption on gold nanoparticle with variable protein structure and nanoparticle size
Authors: Khan S. , Gupta A. , Verma N. C. , Nandi C. K.
Published: October 2015

The spontaneous protein adsorption on nanomaterial surfaces and the formation of a protein corona around nanoparticles are poorly understood physical phenomena, with high biological relevance. The complexity arises mainly due to the poor knowledge of the structural orientation of the adsorbed proteins onto the nanoparticle surface and difficulties in correlating the protein nanoparticle interaction to the protein corona in real time scale. Here, we provide quantitative insights into the kinetics, number, and binding orientation of a few common blood proteins when they interact with citrate and cetyltriethylammoniumbromide stabilized spherical gold nanoparticles with variable sizes. The kinetics of the protein adsorption was studied experimentally by monitoring the change in hydrodynamic diameter and zeta potential of the nanoparticle-protein complex. To understand the competitive binding of human serum albumin and hemoglobin, time dependent fluorescence quenching was studied using dual fluorophore tags. We have performed molecular docking of three different proteins—human serum albumin, bovine serum albumin, and hemoglobin—on different nanoparticle surfaces to elucidate the possible structural orientation of the adsorbed protein. Our data show that the growth kinetics of a protein corona is exclusively dependent on both protein structure and surface chemistry of the nanoparticles. The study quantitatively suggests that a general physical law of protein adsorption is unlikely to exist as the interaction is unique and specific for a given pair.
Nonlinear ion-acoustic waves in a degenerate plasma with nuclei of heavy elements
Authors: Hossen M. A. , Mamun A. A.
Published: October 2015

The ion-acoustic (IA) solitary waves propagating in a fully relativistic degenerate dense plasma (containing relativistic degenerate electron and ion fluids, and immobile nuclei of heavy elements) have been theoretically investigated. The relativistic hydrodynamic model is used to derive the Korteweg-de Vries (K-dV) equation by the reductive perturbation method. The stationary solitary wave solution of this K-dV equation is obtained to characterize the basic features of the IA solitary structures that are found to exist in such a degenerate plasma. It is found that the effects of electron dynamics, relativistic degeneracy of the plasma fluids, stationary nuclei of heavy elements, etc., significantly modify the basic properties of the IA solitary structures. The implications of this results in astrophysical compact objects like white dwarfs are briefly discussed.
Design studies and commissioning plans for plasma acceleration research station experimental program
Authors: Mete O. , Xia G. , Hanahoe K. , Dover M. , Wigram M. , Wright J. , Zhang J. , Smith J.
Published: October 2015

Plasma acceleration research station is an electron beam driven plasma wakefield acceleration test stand proposed for CLARA facility in Daresbury Laboratory. In this paper, the interaction between the electron beam and the plasma is numerically characterised via 2D numerical studies by using VSIM code. The wakefields induced by a single bunch travelling through the plasma were found to vary from 200 MV/m to 3 GV/m for a range of bunch length, bunch radius, and plasma densities. Energy gain for the particles populating the bunch tail through the wakefields driven by the head of the bunch was demonstrated. After determining the achievable field for various beams and plasma configurations, a reference setting was determined for further studies. Considering this reference setting, the beam quality studies were performed for a two-bunch acceleration case. The maximum energy gain as well as the energy spread mitigation by benefiting from the beam loading was investigated by positioning the witness and driver bunches with respect to each other. Emittance growth mechanisms were studied considering the beam-plasma and beam-wakefield interactions. Eventually, regarding the findings, the initial commissioning plans and the aims for the later stages were summarised.
Perpendicularly magnetized (001)-textured D22 MnGa films grown on an (Mg0.2Ti0.8)O buffer with thermally oxidized Si substrates
Authors: Lee Hwachol , Sukegawa Hiroaki , Liu Jun , Mitani Seiji , Hono Kazuhiro
Published: October 2015

We report the growth of (001)-textured polycrystalline D022 MnGa films with perpendicular magnetic anisotropy (PMA) on thermally oxidized Si substrates using an (Mg0.2Ti0.8)O (MTO) buffer layer. The ordered D022 MnGa film grown at the optimum substrate temperature of 530 °C on the MTO buffer layer shows PMA with magnetization of 80 kA/m, PMA energy density of 0.28 MJ/m3, and coercivity of 2.3 T. The scanning transmission electron microscope analysis confirms the formation of a highly (001)-textured structure and the elementally sharp interfaces between the MTO layer and the MnGa layer. The achieved D022 MnGa PMA films on an amorphous substrate will provide the possible pathway of integration of a Mn-based PMA film into Si-based substrates.
Evidence for bandgap opening in buckled epitaxial graphene from ultrafast time-resolved terahertz spectroscopy
Authors: Mihnev Momchil T. , Wang Feng , Liu Gang , Rothwell Sara , Cohen Philip I. , Feldman Leonard C. , Conrad Edward H. , Norris Theodore B.
Published: October 2015

We utilize ultrafast time-resolved terahertz (THz) spectroscopy as a direct, sensitive, and non-contact all-optical probe to investigate the hot-carrier relaxation and cooling dynamics of buckled epitaxial graphene. This special form of graphene is grown epitaxially on nitrogen-seeded single-crystal silicon carbide (SiC(0001¯)) substrates by thermal decomposition of Si atoms. The pre-deposited interfacial nitrogen atoms pin the first graphene layer to the SiC substrate, and cause it and subsequent graphene layers to buckle into nanoscale folds, which opens an energy gap of up to ∼0.7 eV. We observe a remarkable increase of up to two orders of magnitude in the relaxation rate of the THz carrier dynamics of this semiconducting form of epitaxial graphene relative to pristine epitaxial graphene, which we attribute to a large enhancement of the optical-phonon-mediated carrier cooling and recombination over a wide range of electron temperatures due to the finite bandgap. Our results suggest that the introduced bandgap is spatially non-homogenous, with local values close to the optical phonon energy of ∼200 meV, which allows the conduction and the valence band to be bridged by optical phonon emission. We also demonstrate that carrier relaxation times can be modified by orders of magnitude by careful bandgap engineering, which could find application in novel graphene-based devices that incorporate both metallic and semiconducting forms of graphene.
Effects of doping and epitaxy on optical behavior of NaNbO3 films
Authors: Kocourek T. , Inkinen S. , Pacherova O. , Chernova E. , Potucek Z. , Yao L. D. , Jelinek M. , Dejneka A. , van Dijken S. , Tyunina M.
Published: October 2015

Cube-on-cube epitaxy of perovskite sub-cell of Pr-doped and undoped NaNbO3 is obtained in 130-nm-thick films on top of (La0.18Sr0.82)(Al0.59Ta0.41)O3 (001) substrates. Experimental studies show that the edge of optical absorption red-shifts and some interband transitions change in the films compared to crystals. Bright red luminescence is achieved at room-temperature under ultraviolet excitation in the Pr-doped film. An interband mechanism of luminescence excitation is detected in the film, which is in contrast to the intervalence charge transfer mechanism in the crystal. The results are discussed in terms of epitaxially induced changes of crystal symmetry and ferroelectric polarization in the films. It is suggested that the band structure and interband transitions in NaNbO3 and the transition probabilities in the Pr ions can be significantly modified by these changes.
Broadband filters for abatement of spontaneous emission in circuit quantum electrodynamics
Authors: Bronn Nicholas T. , Liu Yanbing , Hertzberg Jared B. , Córcoles Antonio D. , Houck Andrew A. , Gambetta Jay M. , Chow Jerry M.
Published: October 2015

The ability to perform fast, high-fidelity readout of quantum bits (qubits) is essential to the goal of building a quantum computer. However, coupling a fast measurement channel to a superconducting qubit typically also speeds up its relaxation via spontaneous emission. Here, we use impedance engineering to design a filter by which photons may easily leave the resonator at the cavity frequency but not at the qubit frequency. We implement this broadband filter in both an on-chip and off-chip configuration.
Mapping power-law rheology of living cells using multi-frequency force modulation atomic force microscopy
Authors: Takahashi Ryosuke , Okajima Takaharu
Published: October 2015

We present multi-frequency force modulation atomic force microscopy (AFM) for mapping the complex shear modulus G* of living cells as a function of frequency over the range of 50–500 Hz in the same measurement time as the single-frequency force modulation measurement. The AFM technique enables us to reconstruct image maps of rheological parameters, which exhibit a frequency-dependent power-law behavior with respect to G*. These quantitative rheological measurements reveal a large spatial variation in G* in this frequency range for single cells. Moreover, we find that the reconstructed images of the power-law rheological parameters are much different from those obtained in force-curve or single-frequency force modulation measurements. This indicates that the former provide information about intracellular mechanical structures of the cells that are usually not resolved with the conventional force measurement methods.
Barrier height fluctuations in InGaN polarization dipole diodes
Authors: Suntrup Donald J. , Gupta Geetak , Li Haoran , Keller Stacia , Mishra Umesh K.
Published: October 2015

We present an analysis of the effects of lateral barrier height fluctuations on the transport properties of an InGaN polarization dipole diode (PDD). Typical diode analysis proceeds by performing a linear fit to the data contained in a Richardson plot in order to extract the zero-bias barrier height (ϕB) and the Richardson constant (A*). The experimental PDD Richardson plot, however, is highly nonlinear and we attribute this to a spatially nonuniform distribution of barrier heights. After modeling the barrier height distribution using a Gaussian, we fit the Richardson data with a modified, second-order function from which we extract the Richardson constant, mean barrier height, and standard deviation simultaneously. We propose that the physical cause of the observed barrier height inhomogeneity in the PDD is statistical nanoscale fluctuations in indium composition.
Note: Reliable, robust measurement system for trace moisture in gas at parts-per-trillion levels using cavity ring-down spectroscopy
Authors: Abe Hisashi , Lisak Daniel , Cygan Agata , Ciuryło Roman
Published: October 2015

We report a simple, robust cavity ring-down spectroscopy system to reliably measure trace moisture in gases at parts-per-trillion (ppt) levels. The performance of the system was evaluated on the basis of experiments performed in a manner traceable to the International System of Units. The obtained result was in good agreement with the primary trace-moisture standard at 12 nmol/mol (12 ppb) in N2 in amount-of-substance fraction. Measurement capability of residual moisture in high-purity dry N2 at ∼130 pmol/mol (130 ppt) was demonstrated, and background noise of 5.3 × 10−12 cm−1 was attained, corresponding to a minimum detectable H2O of 5 pmol/mol (5 ppt).
Tuning the carrier concentration to improve the thermoelectric performance of CuInTe2 compound
Authors: Wei J. , Liu H. J. , Cheng L. , Zhang J. , Liang J. H. , Jiang P. H. , Fan D. D. , Shi J.
Published: October 2015

The electronic and transport properties of CuInTe2 chalcopyrite are investigated using density functional calculations combined with Boltzmann theory. The band gap predicted from hybrid functional is 0.92 eV, which agrees well with experimental data and leads to relatively larger Seebeck coefficient compared with those of narrow-gap thermoelectric materials. By fine tuning the carrier concentration, the electrical conductivity and power factor of the system can be significantly optimized. Together with the inherent low thermal conductivity, the ZT values of CuInTe2 compound can be enhanced to as high as 1.72 at 850 K, which is obviously larger than those measured experimentally and suggests there is still room to improve the thermoelectric performance of this chalcopyrite compound.
Analysis of weblike network structures of directed graphs for chemical reactions in methane plasmas
Authors: Sakai Osamu , Nobuto Kyosuke , Miyagi Shigeyuki , Tachibana Kunihide
Published: October 2015

Chemical reactions of molecular gases like methane are so complicated that a chart of decomposed and/or synthesized species originating from molecules in plasma resembles a weblike network in which we write down species and reactions among them. Here we consider properties of the network structures of chemical reactions in methane plasmas. In the network, atoms/molecules/radical species are assumed to form nodes and chemical reactions correspond to directed edges in the terminology of graph theory. Investigation of the centrality index reveals importance of CH3 in the global chemical reaction, and difference of an index for each radical species between cases with and without electrons clarifies that the electrons are at an influential position to tighten the network structure.
Heterochromatin remodeling by CDK12 contributes to learning in
Drosophila
Authors: Pan Lixia , Xie Wenbing , Li Kai-Le , Yang Zhihao , Xu Jiang , Zhang Wenhao , Liu Lu-Ping , Ren Xingjie , He Zhimin , Wu Junyu , Sun Jin , Wei Hui-Min , Wang Daliang , Xie Wei , Li Wei , Ni Jian-Quan , Sun Fang-Lin
Published: October 2015

Significance

Eukaryotic genomes are compacted into chromosomes, in which heterochromatin is generally considered to be distinct from euchromatin in chromosomal packaging levels and locations. In
Drosophila
, heterochromatin is mainly found in pericentric and telomeric regions. In this study, we show that heterochromatin landscapes that interspersed in euchromatic arms are counteracted by CDK12, a major RNA polymerase II C-terminal domain kinase. After the depletion of CDK12, heterochromatin enrichment can be observed on euchromatic arms, especially on the X chromosome, which leads to transcriptional attenuation in targeted genes and defects in neuronal functions. Our findings provide insights into the regulation of heterochromatin domain in the natural chromosomal context and suggest a chromatin regulatory role of CDK12 in neuronal functions.
Perinatal deiodinase 2 expression in hepatocytes defines epigenetic susceptibility to liver steatosis and obesity
Authors: Fonseca Tatiana L. , Fernandes Gustavo W. , McAninch Elizabeth A. , Bocco Barbara M. L. C. , Abdalla Sherine M. , Ribeiro Miriam O. , Mohácsik Petra , Fekete Csaba , Li Daofeng , Xing Xiaoyun , Wang Ting , Gereben Balázs , Bianco Antonio C.
Published: October 2015

Significance

Thyroid hormone is secreted mostly as a prohormone that must be activated to gain biological activity. The activation reaction is the removal of one iodine atom, i.e., deiodination of thyroxine to active thyroid hormone triiodothyronine (T3), which is catalyzed by a group of enzymes known as deiodinases. These enzymes control the amounts of intracellular and circulating T3. Here we report that in mice, there is a brief neonatal surge in hepatocyte type 2 deiodinase (D2) that transiently stimulates liver expression of lipid-related genes. The surge in D2 also affects the pattern of DNA methylation and responsiveness of lipid-related genes, modifying metabolic susceptibility to liver steatosis, hypertriglyceridemia, and obesity.