bluuebunny/crossref_metadata_2025 huggingface dataset:
The new competitive mechanism of hydrogen bonding interactions and transition process for the hydroxyphenyl imidazo [1, 2-a] pyridine in mixed liquid solution
Authors: Li Yongqing , Yang Yunfan , Ding Yong
Published: May 2017

The new competitive mechanism of intermolecular and intramolecular hydrogen bond can be proposed with an improved mixed model. Upon the photoinduced process, the twisting intramolecular charge transfer (TICT) structure of the hydroxyphenyl imidazo [1, 2-a] pyridine (HPIP) can be obtained. TICT character prompts the fluorescent inactivation via non-radiative decay process. For exploring the photochemical and photophysical properties, the electronic spectra and the infrared (IR) vibrational spectra of titled compounds have been detailedly investigated. In addition, the frontier molecular orbitals (MOs) analysis visually reveals that the unbalanced electron population can give rise to the torsion of molecular structure. To further give an attractive insight into the non-radiative decay process, the potential energy curves have been depicted on the ground state (S0), the first excited state (S1) and the triple excited state (T1). Minimum energy crossing point (MECP) has been found in the S1 and T1 state. On the MECP, the intersystem crossing (ISC) might be dominant channel. The density functional theory (DFT) and the time-dependent density functional theory (TDDFT) methods have been throughout employed in the S0 state, T1 state and S1 state, respectively. The theoretical results are consistent with experiment in mixed and PCM model.
Measuring nanoscale viscoelastic parameters of cells directly from AFM force-displacement curves
Authors: Efremov Yuri M. , Wang Wen-Horng , Hardy Shana D. , Geahlen Robert L. , Raman Arvind
Published: May 2017

Force-displacement (F-Z) curves are the most commonly used Atomic Force Microscopy (AFM) mode to measure the local, nanoscale elastic properties of soft materials like living cells. Yet a theoretical framework has been lacking that allows the post-processing of F-Z data to extract their viscoelastic constitutive parameters. Here, we propose a new method to extract nanoscale viscoelastic properties of soft samples like living cells and hydrogels directly from conventional AFM F-Z experiments, thereby creating a common platform for the analysis of cell elastic and viscoelastic properties with arbitrary linear constitutive relations. The method based on the elastic-viscoelastic correspondence principle was validated using finite element (FE) simulations and by comparison with the existed AFM techniques on living cells and hydrogels. The method also allows a discrimination of which viscoelastic relaxation model, for example, standard linear solid (SLS) or power-law rheology (PLR), best suits the experimental data. The method was used to extract the viscoelastic properties of benign and cancerous cell lines (NIH 3T3 fibroblasts, NMuMG epithelial, MDA-MB-231 and MCF-7 breast cancer cells). Finally, we studied the changes in viscoelastic properties related to tumorigenesis including TGF-β induced epithelial-to-mesenchymal transition on NMuMG cells and Syk expression induced phenotype changes in MDA-MB-231 cells.
Risk factors for Pneumocystis jirovecii pneumonia (PJP) in kidney transplantation recipients
Authors: Lee Su Hwan , Huh Kyu Ha , Joo Dong Jin , Kim Myoung Soo , Kim Soon Il , Lee Juhan , Park Moo Suk , Kim Young Sam , Kim Se Kyu , Chang Joon , Kim Yu Seun , Kim Song Yee
Published: May 2017

Pneumocystis jirovecii pneumonia (PJP) is a potentially life-threatening infection that occurs in immunocompromised patients. The aim of this study was to evaluate risk factors for PJP in kidney transplantation recipients. We conducted a retrospective analysis of patient data from 500 consecutive kidney transplants performed at Severance Hospital between April 2011 and April 2014. Eighteen kidney transplantation recipients (3.6%) were diagnosed with PJP. In the univariate analysis, acute graft rejection, CMV infection, use of medication for diabetes mellitus, and lowest lymphocyte count were associated with PJP. Recipients who experienced acute graft rejection (odds ratio [OR] 11.81, 95% confidence interval [CI] 3.06–45.57, P < 0.001) or developed CMV infection (OR 5.42, 95% CI 1.69–17.39, P = 0.005) had high odds of PJP in multivariate analysis. In the acute graft rejection subgroup, patients treated with anti-thymocyte globulin (ATG) had significantly higher odds of PJP (OR 5.25, 95% CI 1.01–27.36, P = 0.006) than those who were not. Our data suggest that acute graft rejection and CMV infection may be risk factors for PJP in kidney transplant patients. The use of ATG for acute graft rejection may increase the risk of PJP.
Tyrosine kinase inhibitors of Ripk2 attenuate bacterial cell wall-mediated lipolysis, inflammation and dysglycemia
Authors: Duggan Brittany M. , Foley Kevin P. , Henriksbo Brandyn D. , Cavallari Joseph F. , Tamrakar Akhilesh K. , Schertzer Jonathan D.
Published: May 2017

Inflammation underpins aspects of insulin resistance and dysglycemia. Microbiota-derived cell wall components such as muropeptides or endotoxin can trigger changes in host immunity and metabolism. Specific peptidoglycan motifs promote metabolic tissue inflammation, lipolysis and insulin resistance via Nucleotide-binding oligomerization domain-containing protein 1 (Nod1). Receptor-interacting serine/threonine-protein kinase 2 (Ripk2) mediates Nod1-induced immunity, but the role of Ripk2 in metabolism is ill-defined. We hypothesized that Ripk2 was required for Nod1-mediated inflammation, lipolysis and dysglycemia. This is relevant because certain tyrosine kinase inhibitors (TKIs) inhibit Ripk2 and there is clinical evidence of TKIs lowering inflammation and blood glucose. Here, we showed that only a subset of TKIs known to inhibit Ripk2 attenuated Nod1 ligand-mediated adipocyte lipolysis. TKIs that inhibit Ripk2 decreased cytokine responses induced by Nod1-activating peptidoglycan, but not endotoxin in both metabolic and immune cells. Pre-treatment of adipocytes or macrophages with the TKI gefitinib inhibited Nod1-induced Cxcl1 and Il-6 secretion. Furthermore, treatment of mice with gefitinib prevented Nod1-induced glucose intolerance in vivo. Ripk2 was required for these effects on inflammation and metabolism, since Nod1-mediated cytokine and blood glucose changes were absent in Ripk2−/− mice. Our data show that specific TKIs used in cancer also inhibit Nod1-Ripk2 immunometabolism responses indicative of metabolic disease.
Extent of Visceral Pleural Invasion Affects Prognosis of Resected Non-small Cell Lung Cancer: A meta-analysis
Authors: Wang Ting , Zhou Chengya , Zhou Qinghua
Published: May 2017

Visceral pleural invasion (VPI) has been known to be an adverse prognostic factor in non-small cell lung cancer (NSCLC). However, the prognostic significance of extent of VPI (PL0, PL1 and PL2) remains controversial. We conduct a meta-analysis to summarize available evidence on this topic. PubMed, EMBASE, OVID and The Cochrane Library were searched for published studies from inception to May 9, 2016. A total of 16 studies were included in meta-analysis. Our results showed that patients with PL1 or PL2 had poorer overall survival compared with PL0 (HR = 1.555, 95% CI 1.399, 1.730; HR = 2.447, 95% CI 1.913, 3.130) and patients with PL2 had even poorer overall survival than PL1 (HR = 1.287, 95% CI 1.114, 1.487). Patients with PL1 or PL2 had lower 5-year survival rate than PL0 patients (OR = 0.515, 95% CI 0.415, 0.640; OR = 0.441, 95% CI 0.336, 0.579) and patients with PL2 had even lower 5-year survival rate than PL1 (OR = 0.706, 95% CI 0.545, 0.915). In conclusion, extent of VPI impacts the prognosis of resected NSCLC and VPI should be categorized as PL1 and PL2 in the terms of clinical practice and trials.
Enhanced stability of filament-type resistive switching by interface engineering
Authors: Zhu Y. B. , Zheng K. , Wu X. , Ang L. K.
Published: May 2017

The uncontrollable rupture of the filament accompanied with joule heating deteriorates the resistive switching devices performance, especially on endurance and uniformity. To suppress the undesirable filaments rupture, this work presents an interface engineering methodology by inducing a thin layer of NiOx into a sandwiched Al/TaOx/ITO resistive switching device. The NiOx/TaOx interface barrier can confine the formation and rupture of filaments throughout the entire bulk structure under critical bias setups. The physical mechanism behind is the space-charge-limited conduction dominates in the SET process, while the Schottky emission dominates under the reverse bias.
Effect of alkaline preswelling on the structure of lignins from Eucalyptus
Authors: Chen Wei-Jing , Yang Sheng , Zhang Yun , Wang Yun-Yan , Yuan Tong-Qi , Sun Run-Cang
Published: May 2017

A clear elucidation of structural feature of whole lignin in plant cell wall is of great importance for understanding lignin biosynthesis mechanism and developing lignin based chemicals or materials under the current biorefinery scenario. Swollen residual enzyme lignin (SREL) has been identified as an ideal representative for native lignin in the plant walls. To investigate the influence of preswelling conditions on the structural features, the SREL obtained through preswelling the ball-milled Eucalyptus wood powder in 2, 4 and 8% NaOH solutions and subsequent in-situ enzymatic hydrolysis were thoroughly characterized. A cellulolytic enzyme lignin (CEL) was also prepared as a comparison. The quantitative NMR analyses indicated that the relative contents of β-O-4′ linkages in SRELs were higher than that in CEL. The lignin structure tended to undergo more destruction with the elevated NaOH concentration. A relatively low NaOH concentration (2% in this study), which could be applied to effectively remove hemicelluloses and transform cellulose structure from cellulose I to cellulose II, was competent to prepare SREL as an ideal representative for the protolignin. An optimization of SREL preparation was essential for a better understanding of the whole protolignin.
Nanoporous mannitol carrier prepared by non-organic solvent spray drying technique to enhance the aerosolization performance for dry powder inhalation
Authors: Peng Tingting , Zhang Xuejuan , Huang Ying , Zhao Ziyu , Liao Qiuying , Xu Jing , Huang Zhengwei , Zhang Jiwen , Wu Chuan-yu , Pan Xin , Wu Chuanbin
Published: May 2017

An optimum carrier rugosity is essential to achieve a satisfying drug deposition efficiency for the carrier based dry powder inhalation (DPI). Therefore, a non-organic spray drying technique was firstly used to prepare nanoporous mannitol with small asperities to enhance the DPI aerosolization performance. Ammonium carbonate was used as a pore-forming agent since it decomposed with volatile during preparation. It was found that only the porous structure, and hence the specific surface area and carrier density were changed at different ammonium carbonate concentration. Furthermore, the carrier density was used as an indication of porosity to correlate with drug aerosolization. A good correlation between the carrier density and fine particle fraction (FPF) (r2 = 0.9579) was established, suggesting that the deposition efficiency increased with the decreased carrier density. Nanoporous mannitol with a mean pore size of about 6 nm exhibited 0.24-fold carrier density while 2.16-fold FPF value of the non-porous mannitol. The enhanced deposition efficiency was further confirmed from the pharmacokinetic studies since the nanoporous mannitol exhibited a significantly higher AUC0-8h value than the non-porous mannitol and commercial product Pulmicort. Therefore, surface modification by preparing nanoporous carrier through non-organic spray drying showed to be a facile approach to enhance the DPI aerosolization performance.
Transcriptional regulatory proteins as biosensing tools
Authors: Turner Kendrick , Joel Smita , Feliciano Jessika , Feltus Agatha , Pasini Patrizia , Wynn Daniel , Dau Peter , Dikici Emre , Deo Sapna K. , Daunert Sylvia
Published: May 2017

We have developed sensing systems employing different classes of transcriptional regulatory proteins genetically and chemically modified to incorporate a fluorescent reporter molecule for detection of arsenic, hydroxylated polychlorinated biphenyls (OH-PCBs), and cyclic AMP (cAMP).
High-efficiency photovoltaic cells with wide optical band gap polymers based on fluorinated phenylene-alkoxybenzothiadiazole
Authors: Ko Seo-Jin , Hoang Quoc Viet , Song Chang Eun , Uddin Mohammad Afsar , Lim Eunhee , Park Song Yi , Lee Byoung Hoon , Song Seyeong , Moon Sang-Jin , Hwang Sungu , Morin Pierre-Olivier , Leclerc Mario , Su Gregory M. , Chabinyc Michael L. , Woo Han Young , Shin Won Suk , Kim Jin Young
Published: May 2017

A new series of wide band gap photovoltaic polymers based on a fluorinated phenylene-alkoxybenzothiadiazole unit with an optical band gap of over 1.90 eV are designed and utilized for high-performance single- and multi-junction bulk heterojunction polymer solar cells.
Shape-oriented photodynamic therapy of cuprous oxide (Cu2O) nanocrystals for cancer treatment
Authors: Bhaisare Mukesh Lavkush , Khan M. Shahnawaz , Pandey Sunil , Gedda Gangaraju , Wu Hui-Fen
Published: May 2017

We demonstrated a novel synthesis of cuprous oxide nanocrystals at room temperature by varying the concentration of the reducing agent. The nanocrystals were applied for photodynamic therapy to treat cancer.
A dendritic core–shell Cu@PtCu alloy electrocatalyst resulting in an enhanced electron transfer ability and boosted surface active sites for an improved methanol oxidation reaction
Authors: Liu Jiayin , Xu Guangran , Liu Baocang , Zhang Jun
Published: May 2017

A facile one-pot strategy is developed to synthesize dendritic core–shell Cu@PtCu alloy nanocrystals with controlled morphologies and structural features, which show superior electrocatalytic performance toward a methanol oxidation reaction.
3,4-Alkadienyl ketones via the palladium-catalyzed decarboxylative allenylation of 3-oxocarboxylic acids
Authors: Zhu Tonghao , Ma Shengming
Published: May 2017

3,4-Allenyl aryl ketones were prepared via a palladium-catalyzed decarboxylative allenylation of benzyl carbonates or tert-butyl carbonates of 2,3-allenols with 3-oxocarboxylic acids.
Access to cyclic gem-difluoroacyl scaffolds via electrochemical and visible light photocatalytic radical tandem cyclization of heteroaryl chlorodifluoromethyl ketones
Authors: Adouama Chérif , Keyrouz Robert , Pilet Guillaume , Monnereau Cyrille , Gueyrard David , Noël Timothy , Médebielle Maurice
Published: May 2017

Electro- and photocatalytical synthesis of unprecedented CF2 scaffolds.
Correction: Light up detection of heparin based on aggregation-induced emission and synergistic counter ion displacement
Authors: Li Shiwu , Gao Meng , Wang Shuxia , Hu Rongrong , Zhao Zujin , Qin Anjun , Tang Ben Zhong
Published: May 2017

Correction for ‘Light up detection of heparin based on aggregation-induced emission and synergistic counter ion displacement’ by Shiwu Li et al., Chem. Commun., 2017, 53, 4795–4798
Mechanochemically induced sulfur doping in ZnO via oxygen vacancy formation
Authors: Daiko Y. , Schmidt J. , Kawamura G. , Romeis S. , Segets D. , Iwamoto Y. , Peukert W.
Published: May 2017

Mechanochemically induced oxygen vacancy of ZnO is indispensable in order to control the level of sulfur doping quantitatively.
Synthesis and characterization of a family of thioether-dithiolate-bridged heteronuclear iron complexes
Authors: Zhang Yahui , Yang Dawei , Li Ying , Wang Baomin , Zhao Xiangyu , Qu Jingping
Published: May 2017

Five heterotrinuclear complexes and one heterobinuclear complex are successfully synthesized. These complexes are all well characterized by various spectroscopy studies.
Extraction behaviour and mechanism of Pt(iv) and Pd(ii) by liquid–liquid extraction with an ionic liquid [HBBIm]Br
Authors: Liu Wenhui , Wang Qi , Zheng Yan , Wang Shubin , Yan Yan , Yang Yanzhao
Published: May 2017

In this study, a method of one-step separation and recycling of high purity Pd(ii) and Pt(iv) using an ionic liquid, 1-butyl-3-benzimidazolium bromate ([HBBIm]Br), was investigated.
Development of valuable predictive read-across models based on “real-life” (sparse) nanotoxicity data
Authors: Gajewicz A.
Published: May 2017

A simple and statistically sound read-across approach for filling data gaps that provides reliable predictions without the necessity of performing extensive experimental studies.
Fiber purified extracts of carob fruit decrease carbohydrate absorption
Authors: Macho-González A. , Garcimartín A. , López-Oliva M. E. , Bertocco G. , Naes F. , Bastida S. , Sánchez-Muniz F. J. , Benedí J.
Published: May 2017

In vitroandin vivoeffects of Carob fruit extract (CFE) on carbohydrate digestion and absorption.
l-Ornithine stimulates growth hormone release in a manner dependent on the ghrelin system
Authors: Ho Yee Yin , Nakato Junya , Mizushige Takafumi , Kanamoto Ryuhei , Tanida Mamoru , Akiduki Saori , Ohinata Kousaku
Published: May 2017

Stimulation of growth hormone release induced by intraduodenally administered l-ornithine was mediated by the ghrelin system in rats.
Syngas production from electrochemical reduction of CO2: current status and prospective implementation
Authors: Hernández Simelys , Amin Farkhondehfal M. , Sastre Francesc , Makkee Michiel , Saracco Guido , Russo Nunzio
Published: May 2017

The opportunities and challenges for exploiting the production of syngas from the electrochemical reduction of CO2are critically reviewed and analysed.
Adaptation of a bacterial membrane permeabilization assay for quantitative evaluation of benzalkonium chloride as a membrane-disrupting agent
Authors: Gravel Julien , Paradis-Bleau Catherine , Schmitzer Andreea R.
Published: May 2017

We describe the use of the ortho-nitrophenyl-β-galactoside (ONPG) assay developed by Lehrer et al. to which a new mathematical data treatment was applied.
Triamide macrocyclic chloride receptors via a one-pot tandem reduction–condensation–cyclization reaction
Authors: Behera Harekrushna , Ramkumar Venkatachalam , Madhavan Nandita
Published: May 2017

A chloride binding triamide macrocycle has been developed in one pot from the corresponding monomer via tandem reduction–condensation–cyclization reactions.
A room temperature cyanation of (hetero)aromatic chlorides by an air stable nickel(ii) XantPhos precatalyst and Zn(CN)2
Authors: Beattie D. Dawson , Schareina Thomas , Beller Matthias
Published: May 2017

A methodology using a nickel(ii) XantPhos precatalyst for the room-temperature synthesis of (hetero)aromatic nitriles from aryl chlorides been developed.
Phosphine-catalyzed Friedel–Crafts reaction of naphthols with para-quinone methides: expedient access to triarylmethanes
Authors: Zhou Tao , Li Shenhuan , Huang Ben , Li Cao , Zhao Yang , Chen Jieqiong , Chen Aoling , Xiao Yuanjin , Liu Lu , Zhang Junliang
Published: May 2017

A novel phosphine-catalyzed Friedel–Crafts reaction of naphthols with para-quinone methides has been developed.
Self-assembled helical columnar superstructures with selective homochirality
Authors: Mu Bin , Li Qian , Li Xiao , Chen Jian , Fang Jianglin , Chen Dongzhong
Published: May 2017

Helical columnar polymeric complexes with selective homochirality have been achieved from side-chain discotic liquid crystalline polymers doped with chiral acceptors.
Supramolecular color-tunable photoluminescent materials based on a chromophore cascade as security inks with dual encryption
Authors: Xu Zhe , Gonzalez-Abradelo Dario , Li Jun , Strassert Cristian A. , Ravoo Bart Jan , Guo Dong-Sheng
Published: May 2017

Color-tunable photoluminescent materials which show a large matrix of colors and hide a dual-encryption coding are fabricated on a co-assembly platform of amphiphilic cyclodextrin and calixarene.
Nickel-catalyzed selective C-5 fluorination of 8-aminoquinolines with NFSI
Authors: Ding Junshuai , Zhang Yingchao , Li Jizhen
Published: May 2017

The first nickel-catalyzed selective C-5 fluorination of 8-aminoquinoline derivatives was achieved using NFSI as the “F” source.
Near-infrared fluorescent and columnar liquid crystal: synthesis, and photophysical and mesomorphic properties of triphenylene-Bodipy-triphenylene triad
Authors: Fang Xiaoting , Guo Hongyu , Yang Fafu , Lin Jianrong
Published: May 2017

The first near-infrared fluorescent and columnar liquid crystal based on Bodipy is achieved.
Integrated design of a Ni thin-film electrode on a porous alumina template for affordable and high-performance low-temperature solid oxide fuel cells
Authors: Ji Sanghoon , Seo Han Gil , Lee Siwon , Seo Jongsu , Lee Yeageun , Tanveer Waqas Hassan , Cha Suk Won , Jung WooChul
Published: May 2017

The morphological, electrical and electrochemical properties of AAO-supported Ni thin-film electrodes were systematically investigated according to deposition conditions to establish a design strategy for obtaining optimal electrode performance.
l-Ascorbyl 2,6-dipalmitate inhibits biofilm formation and virulence in methicillin-resistant Staphylococcus aureus and prevents triacylglyceride accumulation in Caenorhabditis elegans
Authors: Sethupathy Sivasamy , Vigneshwari Loganathan , Valliammai Alaguvel , Balamurugan Krishnaswamy , Pandian Shunmugiah Karutha
Published: May 2017

In the present study, the antibiofilm, antipathogenic and anticarotenogenic potential ofl-ascorbyl 2,6-dipalmitate (ADP) against methicillin-resistantStaphylococcus aureus(MRSA) has been evaluated.
Tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl metal complexes, [TismPriBenz]M: a new class of metallacarbatranes, isomerization to a tris(N-heterocyclic carbene) derivative, and evidence for an inverted ligand field
Authors: Ruccolo Serge , Rauch Michael , Parkin Gerard
Published: May 2017

The tris[(1-isopropylbenzimidazol-2-yl)dimethylsilyl]methyl ligand, [TismPriBenz], has been employed to form carbatrane compounds of both the main group metals and transition metals.
Multi-anchored sensitizers for dye-sensitized solar cells
Authors: Chen Yung-Chung , Lin Jiann T.
Published: May 2017

This review discloses the current progress in multi-anchored sensitizers on the variation of the molecular structure, type of anchor and number of anchors.
From materials to device design of a thermoelectric fabric for wearable energy harvesters
Authors: Ito Mitsuhiro , Koizumi Takuya , Kojima Hirotaka , Saito Takeshi , Nakamura Masakazu
Published: May 2017

We propose a design and fabrication process for fabrics containing thermoelectric generators (TEGs) in the form of carbon nanotube composite threads intended for energy harvesting of low-temperature waste heat.
Reduced titania@layered double hydroxide hybrid photoanodes for enhanced photoelectrochemical water oxidation
Authors: Guo Jian , Mao Chengyu , Zhang Ruikang , Shao Mingfei , Wei Min , Feng Pingyun
Published: May 2017

Several reduced titania@layered double hydroxide photoanodes have been developed, and their enhanced PEC properties for water oxidation were studied systematically.
Ultrasmall PbS quantum dots: a facile and greener synthetic route and their high performance in luminescent solar concentrators
Authors: Tan Long , Zhou Yufeng , Ren Fuqiang , Benetti Daniele , Yang Fan , Zhao Haiguang , Rosei Federico , Chaker Mohamed , Ma Dongling
Published: May 2017

Tributylphosphine-assisted greener synthesis of ultrasmall PbS quantum dots and their high performance in luminescent solar concentrator application.
Combination of four oxadiazole rings for the generation of energetic materials with high detonation performance, low sensitivity and excellent thermal stability
Authors: Sun Qi , Shen Cheng , Li Xin , Lin Qiuhan , Lu Ming
Published: May 2017

Energetic materials, which are comprised of four oxadiazole rings and linked by three different bridges ([–NH–NH–], [–NN–], and [–NN(O)–]) are developed.
Nanoemulsion-induced enzymatic crosslinking of tyramine-functionalized polymer droplets
Authors: Kamperman Tom , Henke Sieger , Zoetebier Bram , Ruiterkamp Niels , Wang Rong , Pouran Behdad , Weinans Harrie , Karperien Marcel , Leijten Jeroen
Published: May 2017

Nanoemulsified crosslinker enables the facile enzymatic crosslinking of tyramine-functionalized polymer droplets into hydrogel particles that span multiple length scales for numerous applications including 3D cell culture.
Dually crosslinked self-healing hydrogels originating from cell-enhanced effect
Authors: Xu Chen , Li Qing , Hu Xin-Ting , Wang Cai-Feng , Chen Su
Published: May 2017

A new simple cell-loaded route is developed to facilely prepare self-healing and biocompatible dually crosslinked hydrogels. This bio-hydrogel can be used as wound dressing in in vivo experiments to promote wound healing, showing potential in biomedical applications.
Near infrared-to-blue photon upconversion by exploiting direct S–T absorption of a molecular sensitizer
Authors: Sasaki Yoichi , Amemori Shogo , Kouno Hironori , Yanai Nobuhiro , Kimizuka Nobuo
Published: May 2017

Efficient NIR-to-blue photon upconversion was realized for the first time by exploiting sensitizer S–T transition and achieved the largest anti-Stokes shift of 0.97 eV.
Enhanced performances of quantum dot light-emitting diodes with doped emitting layers by manipulating the charge carrier balance
Authors: Dong Dan , Wu Weijie , Lian Lu , Feng Dongxu , Su Yuezeng , Li Wanwan , He Gufeng
Published: May 2017

The performances of quantum dot light-emitting diodes (QD-LEDs) with doped QD emitting layers are enhanced by inserting a suitable interlayer.
Influence of nanoscale order–disorder transitions on the magnetic properties of Heusler compounds for spintronics
Authors: Karel J. , Fischer J. E. , Fabbrici S. , Pippel E. , Werner P. , Vinicius Castergnaro M. , Adler P. , Ouardi S. , Balke B. , Fecher G. H. , Morais J. , Albertini F. , Parkin S. S. P. , Felser C.
Published: May 2017

Modifications in nanoscale chemical order can tune the magnetic properties of Co2FeSixAl1−x, indicating disorder as a potential engineering tool.
Synergistic effect by Na doping and S substitution for high thermoelectric performance of p-type MnTe
Authors: Ren Yangyang , Yang Junyou , Jiang Qinghui , Zhang Dan , Zhou Zhiwei , Li Xin , Xin Jiwu , He Xu
Published: May 2017

Pristine MnTe is a p-type semiconductor with a relatively low hole concentration of 1018 cm−3, low electrical conductivity, and thus poor TE performance at room temperature owing to the broad direct band gap of 1.27 eV.
Phosphite-Mediated Reductive Cross-Coupling of Isatins and Nitro­styrenes
Authors: Motevalli Somayeh , Johnson Jeffrey
Published: May 2017

A new reductive coupling reaction between N-alkylisatins, dimethyl phosphite, and nitrostyrenes has been developed. The reaction relies on Pudovik addition, subsequent phosphonate–phosphate rearrangement, and Michael-type addition of a transient carbanion on the indolinone with β-nitrostyrenes. This protocol introduces a convenient and versatile method for the construction of polyfunctionalized tertiary phosphates under mild conditions. Chiral general bases catalyze the title reaction with promising levels of enantioselectivity.
Iron-Catalyzed Aerobic Oxidation of (Alkyl)(aryl)azinylmethanes
Authors: Maes Bert , Sterckx Hans , Sambiagio Carlo , Lemière Filip , Tehrani Kourosch
Published: May 2017

An iron-catalyzed aerobic oxidation of (alkyl)(aryl)azinylmethanes has been developed leading to tertiary alcohols in moderate to good yields. Hock rearrangement was identified as a major side reaction leading to a complex mixture of undesired products. Addition of thiourea sometimes allows inhibiting this side reaction and steers the reaction towards the desired products.
Surgical Anatomy of the Cervical Part of the Hypoglossal Nerve
Authors: Kariuki Brian Ngure , Butt Fawzia , Mandela Pamela , Odula Paul
Published: May 2017

Iatrogenic injuries to cranial nerves, half of which affect the hypoglossal nerve, occur in up to 20% of surgical procedures involving the neck. The risk of injury could be minimized by in-depth knowledge of its positional and relational anatomy. Forty-one hypoglossal nerves were dissected from cadaveric specimens and positions described in relation to the internal carotid artery (ICA), external carotid artery (ECA), carotid bifurcation, mandible, hyoid bone, mastoid process, and the digastric tendon. The distance of the nerve from where it crossed the ICA and ECA to the carotid bifurcation was 29.93 (± 5.99) mm and 15.19 (± 6.68) mm, respectively. The point where it crossed the ICA was 12.24 (± 3.71) mm superior to the greater horn of hyoid, 17.16 (± 4.40) mm inferior to the angle of the mandible, and 39.08 (± 5.69) mm from tip of the mastoid. The hypoglossal nerve loop was inferior to the digastric tendon in 73% of the cases. The hypoglossal nerves formed high loops in this study population. Caution should be exercised during surgical procedures in the neck. The study also revealed that the mastoid process is a reliable fixed landmark to locate the hypoglossal nerve.
Adjunct Perfusion Branch for Reduction of Spinal Cord Ischemia in the Endovascular Repair of Thoracoabdominal Aortic Aneurysms
Authors: Salem Oroa , Dünschede Fritz , Vahl Christian , Dorweiler Bernhard , Youssef Marwan
Published: May 2017

Background To analyze utilization of a perfusion branch for temporary sac perfusion to reduce the spinal cord ischemia (SCI) in the endovascular repair of thoracoabdominal aortic aneurysms (TAAAs).

Methods Between January 2012 and August 2016, 30 patients (18, men; median age 72 years) were treated for TAAAs with total endovascular repair using customized branched/fenestrated endografts in our institution. The median aneurysm size was 6.6 cm. Types of TAAA were: type I, 9 (30%), type II, 5 (16.6%), type III, 4 (13.3%), type IV, 6 (20%), and type V, 6 (20%). Ten patients received a perfusion branch to create an intentional endoleak, which was occluded with vascular plugs in mean interval time of 8.2 weeks (range: 6–10). Staged procedure and automated cerebrospinal fluid drainage were used in 23 (77%) and 24 (80%) patients, respectively.

Results The technical success was 97%; 107 renovisceral target vessels were revascularized (32 fenestrations, 75 branches). At the time of the planned reinterventions, the mean arterial pressure (MAP) gradients were measured between the temporarily perfused aneurysm sac and the aortic endografts, and they were significantly higher (mean gradients 42.5 ± 10 mm Hg; range: 30–60) within the aortic grafts. The in-hospital and 30-day mortality was 3.3%. The incidence of postoperative SCI was 3/20 (15%) in the standard group and 0% in the group of the perfusion branch (p = 0.28). The mean follow-up was 12 months (range: 2–51).

Conclusion We experience that the use of a dedicated perfusion branch is feasible and may serve as protective adjunct to reduce the risk of SCI in endovascular treatment of TAAA. The risk of rupture in interval appears to be low. Larger series and multicenter studies are warranted to corroborate these results.
Adenotonsillar Hypertrophy in Pre-School Children with Sickle Cell Disease and Diagnostic Accuracy of the Sleep Disturbance Scale for Children
Authors: Góis Carlos , D'Ávila Jeferson , Cipolotti Rosana , Lira Amanda , Silva Ana
Published: May 2017

Introduction Adenotonsillar hypertrophy is more common in children with sickle cell disease, and can lead to sleep-disordered breathing.

Objectives To determine the frequency of adenotonsillar hypertrophy in pre-school children with sickle cell disease and assess the diagnostic accuracy of the sleep-disordered breathing subscale in the Sleep Disturbance Scale for Children.

Method Observational study with a group of 48 children with sickle cell disease and a control group of 35 children without the disease. The children underwent oropharingoscopy and video nasal endoscopy. The parents and/or guardians answered the questions of the subscale.

Results Adenotonsillar hypertrophy was observed in 25% of the children in the study group, and in 20% of the children in the control group, with no statistical difference between the groups. The subscale score ranged from 3 to 11 in both groups. There was a statistical significance in the study group. The average was 4.79 (standard deviation [SD] ± 2.50), with 4.19 (SD ± 1.72) among the children without adenotonsillar hypertrophy, and 6.5 (SD ± 3.40) among the children with adenotonsillar hypertrophy. There was also a statistical significance in the control group. The average was 5.23 (SD ± 2.81), with 4.44 (SD ± 2.2) among the children without adenotonsillar hypertrophy, and 7.87 (SD ± 2.89) among the children with adenotonsillar hypertrophy.

Conclusion Adenotonsillar hypertrophy was not associated with sickle cell disease in pre-school children. The subscale of sleep-disordered breathing in the Sleep Disturbance Scale for Children was a useful tool for the diagnostic suspicion of adenotonsillar hypertrophy in children in this age group.
Empfehlungen zur akademischen Profilierung von Global Public Health in Deutschland
Authors: Krämer Alexander , Fischer Florian
Published: May 2017

Viele Dimensionen von Public Health sind mittlerweile global. Zur Bekämpfung von grenzüberschreitenden Gesundheitsproblemen sowie zur Förderung von Gesundheitschancen und Senkung gesundheitlicher Ungleichheit auf globaler Ebene ist Global Public Health von zentraler Bedeutung. Die Zielsetzung dieses interdisziplinären Forschungsfeldes besteht darin, die Gesundheit der Gesamtbevölkerung und ihrer Subpopulationen im globalen Kontext unter Berücksichtigung einer Vielfalt von Einflussfaktoren zu verbessern. Die Bedeutung von Global Public Health soll im vorliegenden Beitrag herausgearbeitet werden. Dabei werden zentrale Themen, Konzepte und Methoden sowie Herausforderungen für Global Public Health aufgezeigt und Vorschläge zur akademischen Profilierung von Global Public Health in Deutschland unterbreitet.
Redefinition of Parkinson’s Disease
Authors: Schäffer Eva , Berg Daniela
Published: May 2017

In 2015, a working group of the International Parkinsonʼs and Movement Disorders Society (MDS) presented new clinical diagnostic criteria for Parkinsonʼs disease (PD). This review outlines the key insights with regard to pathophysiology, various clinical manifestations and clinical progression which form the basis for a redefinition and the new, summarized clinical diagnostic criteria of Parkinson’s disease. Essential findings, which led to the new diagnostic criteria, include (i) the recognition of the importance of non-motor symptoms, which may have a tremendous influence on the quality of life of patients and have an increasing relevance with regard to early and differential diagnosis of PD is stated. (ii) The categorization of dementia in the course of Parkinson’s disease. While there has been a clear separation between Parkinson’s disease and dementia with Lewy bodies so far, now a continuum is postulated which summarizes Parkinson’s disease without, with late and with early (within the first year after the occurrence of motor symptoms) dementia under the umbrella term of Lewy Body Diseases (LBD). (iii) The realization of a slowly spreading process of neurodegeneration occurring throughout different parts of the nervous system. This resulted in the definition of different phases of the disease, the preclinical, prodromal and clinical phase. In particular, the definition of the prodromal phase, characterized by different clinical parameters and further biomarkers still to be implemented, opens up new possibilities for early diagnosis and in the long run early treatment of Parkinson’s disease. (iv) The insight that the clinical phase is characterized by different forms of disease progression. For genetic variants (e. g., GBA or LRRK2) a separate clinical-genetic category is proposed, in idiopathic Parkinson’s disease subtypes should be characterized by clearly distinct prognosis, progression and/or treatment strategies. The MDS Task Force proposes to keep the current gold standard of typical clinical motor symptom presentation and post-mortem verification of α-synucleinopathy for the diagnosis of PD. The new clinical diagnostic criteria were designed using a typical clinical expert as benchmark, codifying the expert diagnostic process to make it reproducible and easily applicable. The new diagnostic criteria now contain absolute exclusion criteria, supportive criteria and “red flags” in addition to the assessment of the cardinal motor symptoms. Specific ancillary diagnostic tests (e. g., imaging techniques) can be implemented; furthermore the time course and severity of symptoms are taken into account.
SparseMaps—A systematic infrastructure for reduced scaling electronic structure methods. V. Linear scaling explicitly correlated coupled-cluster method with pair natural orbitals
Authors: Pavošević Fabijan , Peng Chong , Pinski Peter , Riplinger Christoph , Neese Frank , Valeev Edward F.
Published: May 2017

In this work, we present a linear scaling formulation of the coupled-cluster singles and doubles with perturbative inclusion of triples (CCSD(T)) and explicitly correlated geminals. The linear scaling implementation of all post-mean-field steps utilizes the SparseMaps formalism [P. Pinski et al., J. Chem. Phys. 143, 034108 (2015)]. Even for conservative truncation levels, the method rapidly reaches near-linear complexity in realistic basis sets, e.g., an effective scaling exponent of 1.49 was obtained for n-alkanes with up to 200 carbon atoms in a def2-TZVP basis set. The robustness of the method is benchmarked against the massively parallel implementation of the conventional explicitly correlated coupled-cluster for a 20-water cluster; the total dissociation energy of the cluster (∼186 kcal/mol) is affected by the reduced scaling approximations by only ∼0.4 kcal/mol. The reduced scaling explicitly correlated CCSD(T) method is used to examine the binding energies of several systems in the L7 benchmark data set of noncovalent interactions.
Particle-in-cell simulations of an RF emission mechanism associated with hypervelocity impact plasmas
Authors: Fletcher Alex C. , Close Sigrid
Published: May 2017

Radio frequency (RF) emission from hypervelocity impacts has been detected in multiple experiments, but the physical mechanism responsible is not well understood. Plasma is created by these impacts and rapidly expands into the surrounding vacuum; it's been argued that the observed RF emission is associated with a process in the plasma. A recent model proposes that coherent oscillations from a large scale charge separation due to the expansion of the plasma can produce RF. In this paper, we use a discontinuous Galerkin particle-in-cell technique to simulate this process. Initial conditions are drawn from hydrocode impact simulations, and the results are compared to experimental measurements. Under the assumption that there exists a difference in bulk speed of electrons and ions at a certain point in the expansion, we do find that radiation is produced by the plasma.
Non-Maxwellian electron energy distribution function in a pulsed plasma modeled with dual effective temperatures
Authors: Adams S. F. , Miles J. A. , Demidov V. I.
Published: May 2017

A non-Maxwellian electron energy distribution function (EEDF) has been modeled within a pulsed rf inductively coupled plasma source with the aid of experimental emission spectra and Ar metastable measurements obtained by laser diode absorption. The lower energy portion of the EEDF up to the first excited state energy of 11.5 eV for argon was accurately measured with a Langmuir probe and satisfactorily modeled with a generalized two-parameter expression. Above 11.5 eV, though, inelastic collisions caused the EEDF to deviate from the lower energy generalized expression and soon after, the energy limit of accuracy of the Langmuir probe was approached. In this work, a unique EEDF model was applied for electron energies above 11.5 eV that accounts for spectral effects due to both direct excitation from the Ar ground state and step-wise excitation from the metastable state. Previously tabulated optical cross sections were used with experimental data to simulate the optical emission spectra using a theoretical non-Maxwellian EEDF with dual effective electron temperatures; one for energies below 11.5 eV and one for above. The parameters of the high energy portion of the EEDF were adjusted to produce a least squares fit to up to 10 emission peaks in the 415–428 nm range. The fits provided practical agreement with experimental spectra using the dual effective temperature EEDF. Comparisons were made for the model fitting 10 emission peaks compared to a method of analyzing only the relative intensities of 2 closely spaced emission lines: the 420.1 nm to 419.8 nm line ratio.
Low scaling random-phase approximation electron correlation method including exchange interactions using localised orbitals
Authors: Heßelmann Andreas
Published: May 2017

A random-phase approximation electron correlation method including exchange interactions has been developed which reduces the scaling behaviour of the standard approach by two to four orders of magnitude, effectively leading to a linear scaling performance if the local structures of the underlying quantities are fully exploited in the calculations. This has been achieved by a transformation of the integrals and amplitudes from the canonical orbital basis into a local orbital basis and a subsequent dyadic screening approach. The performance of the method is demonstrated for a range of tripeptide molecules as well as for two conformers of the polyglycine molecule using up to 40 glycine units. While a reasonable agreement with the corresponding canonical method is obtained if long-range Coulomb interactions are not screened by the local method, a significant improvement in the performance is achieved for larger systems beyond 20 glycine units. Furthermore, the control of the Coulomb screening threshold allows for a quantification of intramolecular dispersion interactions, as will be exemplified for the polyglycine conformers as well as a highly branched hexaphenylethane derivate which is stabilised by steric crowding effects.
Pressure-induced structural transition in chalcopyrite ZnSiP2
Authors: Bhadram Venkata S. , Krishna Lakshmi , Toberer Eric S. , Hrubiak Rostislav , Greenberg Eran , Prakapenka Vitali B. , Strobel Timothy A.
Published: May 2017

The pressure-dependent phase behavior of semiconducting chalcopyrite ZnSiP2 was studied up to 30 GPa using in situ X-ray diffraction and Raman spectroscopy in a diamond-anvil cell. A structural phase transition to the rock salt type structure was observed between 27 and 30 GPa, which is accompanied by soft phonon mode behavior and simultaneous loss of Raman signal and optical transmission through the sample. The high-pressure rock salt type phase possesses cationic disorder as evident from broad features in the X-ray diffraction patterns. The behavior of the low-frequency Raman modes during compression establishes a two-stage, order-disorder phase transition mechanism. The phase transition is partially reversible, and the parent chalcopyrite structure coexists with an amorphous phase upon slow decompression to ambient conditions.
Isotopic localization of the partially deuterated methyl group in solid methanol and methyl iodide
Authors: Suzuki Hal , Inaba Akira
Published: May 2017

Heat capacity measurements were made down to 0.35 K for the isotopic modifications of methanol, CH3−nDnOH, and methyl iodide, CH3−nDnI, (n = 0, 1, 2, 3) to determine the orientation of the partially deuterated methyl group in the solid phase. The mono-deuterated modifications favor the symmetric conformation, whereas the di-deuterated ones favor the asymmetric conformation. Infrared spectroscopy demonstrates that some vibrational modes change in intensity depending on temperature, which supports the energy scheme obtained by calorimetry. Zero-point kinetic energies were obtained by single molecule density functional theory calculations. Although the favorable conformations of CH2DOH and CHD2OH were confirmed, the energy difference between symmetric and asymmetric conformations was twice as large as that determined experimentally, which indicates that intermolecular forces significantly decrease the energy difference. For CHD2OH, the conversion between the two asymmetric conformations becomes very slow at low temperature and results in a residual entropy of R ln 2.
High absorption long wave infrared superlattices using metamorphic buffers
Authors: Affouda Chaffra A. , Tomasulo Stephanie , Nolde Jill A. , Vurgaftman Igor , Mahadik Nadeemullah A. , Jackson Eric M. , Twigg Mark E. , Aifer Edward H.
Published: May 2017

The narrow band gap and staggered band alignment of InAsSb alloys make it possible to engineer type-II superlattices (T2SLs) for mid-wave and long-wave (LW) infrared sensors operating in the 3–12 μm range. However, InAs/InAsSb T2SLs that are strain balanced to the underlying GaSb substrate have much lower absorption coefficients for LWIR operation because of the larger superlattice (SL) period, leading to reduced electron-hole overlap. The absorption coefficient of T2SLs can be greatly improved by growing on metamorphic buffers (MBs) with reduced lattice mismatch to the InAsSb layers, which allows the SL period to be reduced. For this study, MBs were capped with InAs/InAsSb T2SLs to assess the suitability of the materials for detector applications by X-ray diffraction and photoluminescence lifetime measurements. We show that the absorption of T2SLs can be significantly increased with no apparent degradation in the minority-carrier lifetime.
A study of tantalum pentoxide Ta2O5 structures up to 28 GPa
Authors: Stavrou Elissaios , Zaug Joseph M. , Bastea Sorin , Kunz Martin
Published: May 2017

Tantalum pentoxide Ta2O5 with the orthorhombic L-Ta2O5 structure has been experimentally studied up to 28.3 GPa (at ambient temperature) using synchrotron angle-dispersive powder X-ray diffraction (XRD). The ambient pressure phase remains stable up to 25 GPa where with increased pressure a crystalline to amorphous phase transition occurs. A detailed equation of state (EOS), including pressure dependent lattice parameters, is reported. The results of this study were compared with a previous high-pressure XRD study by Li et al. A clear discrepancy between the ambient-pressure crystal structures and, consequently, the reported EOSs between the two studies was revealed. The origin of this discrepancy is attributed to two different crystal structures used to index the XRD patterns.
Dynamic analysis of a floating wind turbine in wet tows based on multi-body dynamics
Authors: Ding Hongyan , Han Yanqing , Le Conghuan , Zhang Puyang
Published: May 2017

In this study, a submerged tension leg platform wind turbine (STLPWT) which can be constructed near the quayside and then wet-towed to the installation site as a unit was proposed. This transportation method will consequently reduce the use of heavy offshore cranes. However, as a high-rise structure, the floating wind turbine may sustain large overturning moments induced by wind, wave, current, and towing force in the transport phase. In order to study the stability of the floating wind turbine and the towline force in wet tows, a numerical model of the towing system including a towboat, towline, and STLPWT was established based on multi-body dynamics. Then, the environmental load effects on the towing stability of the floating wind turbine were investigated. In addition, the comparison of the bollard pull and the height of towing points was performed. The results show that the STLPWT was stable under the rough sea towing condition: a significant wave height of 5 m and a wind speed of 17 m/s. An appropriate bollard pull should be chosen, in practice, as it involves the time and costs of the towing process. In addition, it may be a better choice to set the height of the towing points near the mean sea level to lower the pitch motions of the STLPWT as well as the towline force.