bluuebunny/crossref_metadata_2025 huggingface dataset:
Melanocortin-3 receptors expressed in Nkx2.1(+ve) neurons are sufficient for controlling appetitive responses to hypocaloric conditioning
Authors: Girardet Clémence , Mavrikaki Maria M. , Stevens Joseph R. , Miller Courtney A. , Marks Daniel L. , Butler Andrew A.
Published: March 2017

Melanocortin-3 receptors (MC3R) have a contextual role in appetite control that is amplified with hypocaloric conditioning. C57BL/6J (B6) mice subjected to hypocaloric feeding schedules (HFS) exhibit compulsive behavioral responses involving food anticipatory activity (FAA) and caloric loading following food access. These homeostatic responses to calorie-poor environs are attenuated in B6 mice in which Mc3r transcription is suppressed by a lox-stop-lox sequence in the 5’UTR (Mc3rTB/TB ). Here, we report that optimization of caloric loading in B6 mice subject to HFS, characterized by increased meal size and duration, is not observed in Mc3rTB/TB mice. Analysis of hypothalamic and neuroendocrine responses to HFS throughout the light-dark cycle suggests uncoupling of hypothalamic responses involving appetite-stimulating fasting-responsive hypothalamic neurons expressing agouti-related peptide (AgRP) and neuropeptide Y (Npy). Rescuing Mc3rs expression in Nkx2.1(+ve) neurons is sufficient to restore normal hypothalamic responses to negative energy balance. In addition, Mc3rs expressed in Nkx2.1(+ve) neurons are also sufficient to restore FAA and caloric loading of B6 mice subjected to HFS. In summary, MC3Rs expressed in Nkx2.1(+ve) neurons are sufficient to coordinate hypothalamic response and expression of compulsive behavioral responses involving meal anticipation and consumption of large meals during situations of prolonged negative energy balance.
Sporicidal activity of ceragenin CSA-13 against Bacillus subtilis
Authors: Piktel Ewelina , Pogoda Katarzyna , Roman Maciej , Niemirowicz Katarzyna , Tokajuk Grażyna , Wróblewska Marta , Szynaka Beata , Kwiatek Wojciech M. , Savage Paul B. , Bucki Robert
Published: March 2017

Spore-forming bacteria are a class of microorganisms that possess the ability to survive in extreme environmental conditions. Morphological features of spores assure their resistance to stress factors such as high temperature, radiation, disinfectants, and drying. Consequently, spore elimination in industrial and medical environments is very challenging. Ceragenins are a new class of cationic lipids characterized by a broad spectrum of bactericidal activity resulting from amphipathic nature and membrane-permeabilizing properties. To assess the impact of ceragenin CSA-13 on spores formed by Bacillus subtilis (ATCC 6051), we performed the series of experiments confirming that amphipathic and membrane-permeabilizing properties of CSA-13 are sufficient to disrupt the structure of B. subtilis spores resulting in decreased viability. Raman spectroscopy analysis provided evidence that upon CSA-13 treatment the number of CaDPA-positive spores was clearly diminished. As a consequence, a loss of impermeability of the inner membranes of spores, accompanied by a decrease in spore resistance and killing take place. In addition to their broad antimicrobial spectrum, ceragenins possess great potential for development as new sporicidal agents.
Structure-symptom relationship with wide-area ultrasound scanning of knee osteoarthritis
Authors: Podlipská Jana , Koski Juhani M. , Kaukinen Päivi , Haapea Marianne , Tervonen Osmo , Arokoski Jari P. , Saarakkala Simo
Published: March 2017

The aetiology of knee pain in osteoarthritis (OA) is heterogeneous and its relationship with structural changes and function is unclear. Our goal was to determine the prevalence of wide-area scanned ultrasound-defined knee OA structural features and their association with pain and functional impairment in 79 symptomatic and 63 asymptomatic subjects. All subjects underwent ultrasound knee wide-area scanning and the severity of articular cartilage degeneration, the presence and size of osteophytes, and meniscal extrusion were evaluated. Subjects filled in a self-administrated questionnaire on present knee pain, and Western Ontario and McMaster Universities Osteoarthritis Index (WOMAC) on clinical symptoms and function over the past week. Cartilage changes were the most prevalent followed by lateral meniscal extrusion, osteophytes and medial meniscal extrusion. The global femoral cartilage grade associated strongly with pain and the WOMAC index. Site-specifically, early medial cartilage changes and thinning in sulcus and lateral site were associated with symptoms. The presence of femoral lateral osteophytes was also associated with both outcomes. Using the novel wide-area ultrasound scanning technique, we were able to confirm the negative impact of femoral cartilage OA changes on clinical symptoms. Presence, not necessarily size, of lateral femoral osteophytes was also associated with increased pain and disability.
Generation of non-viral, transgene-free hepatocyte like cells with piggyBac transposon
Authors: Katayama Hokahiro , Yasuchika Kentaro , Miyauchi Yuya , Kojima Hidenobu , Yamaoka Ryoya , Kawai Takayuki , Yukie Yoshitoshi Elena , Ogiso Satoshi , Kita Sadahiko , Yasuda Katsutaro , Sasaki Naoya , Fukumitsu Ken , Komori Junji , Ishii Takamichi , Uemoto Shinji
Published: March 2017

Somatic cells can be reprogrammed to induced hepatocyte-like cells (iHeps) by overexpressing certain defined factors in direct reprogramming techniques. Of the various methods to deliver genes into cells, typically used genome-integrating viral vectors are associated with integration-related adverse events such as mutagenesis, whereas non-integrating viral vectors have low efficiency, making viral vectors unsuitable for clinical application. Therefore, we focused on developing a transposon system to establish a non-viral reprogramming method. Transposons are unique DNA elements that can be integrated into and removed from chromosomes. PiggyBac, a type of transposon, has high transduction efficiency and cargo capacity, and the integrated transgene can be precisely excised in the presence of transposase. This feature enables the piggyBac vector to achieve efficient transgene expression and a transgene-free state, thus making it a promising method for cell reprogramming. Here, we attempted to utilize the piggyBac transposon system to generate iHeps by integrating a transgene consisting of Hnf4a and Foxa3, and successfully obtained functional iHeps. We then demonstrated removal of the transgene to obtain transgene-free iHeps, which still maintained hepatocyte functions. This non-viral, transgene-free reprogramming method using the piggyBac vector may facilitate clinical applications of iHeps in upcoming cell therapy.
Nitrogen addition and clonal integration alleviate water stress of dependent ramets of Indocalamus decorus under heterogeneous soil water environment
Authors: Guo Zi-Wu , Hu Jun-Jing , Chen Shuang-Lin , Li Ying-Chun , Yang Qing-Ping , Cai Han-Jiang
Published: March 2017

Water and nitrogen are two of the most important factors for plant growth and development. However, little is known about effects of N on water translocation between connected bamboo ramets. We performed experiment connected Indocalamus decorus ramets in adjacent pots with different soil water contents and three N levels. We determined antioxidase activities, concentration of osmotic adjustment products, O2·−, MDA and photosynthetic pigments, and electrolyte leakage rate in paired unit. When N supply to supporting ramets increased, their electrolyte leakage rates and contents of O2·− and MDA significantly increased, while antioxidase activities and contents of osmotic adjustment products and photosynthetic pigments in connected dependent ramets increased markedly as their electrolyte leakage rates and contents of O2·− and MDA decreased greatly. When N addition to dependent ramets increased, antioxidant enzyme activity and contents of osmotic adjustment products and photosynthetic pigments decreased in both ramets, but electrolyte leakage rates and O2·− and MDA contents increased significantly. Therefore, N addition to either supporting or dependent ramets can improve water integration among I. decorus ramets. N addition to supporting ramets promotes water translocation and alleviates water stress of dependent ramets, but N addition to dependent ramets exacerbates drought stress damage to dependent ramets.
Novel transcriptome assembly and comparative toxicity pathway analysis in mahi-mahi (Coryphaena hippurus) embryos and larvae exposed to Deepwater Horizon oil
Authors: Xu Elvis Genbo , Mager Edward M. , Grosell Martin , Hazard E. Starr , Hardiman Gary , Schlenk Daniel
Published: March 2017

The impacts of Deepwater Horizon (DWH) oil on morphology and function during embryonic development have been documented for a number of fish species, including the economically and ecologically important pelagic species, mahi-mahi (Coryphaena hippurus). However, further investigations on molecular events and pathways responsible for developmental toxicity have been largely restricted due to the limited molecular data available for this species. We sought to establish the de novo transcriptomic database from the embryos and larvae of mahi-mahi exposed to water accommodated fractions (HEWAFs) of two DWH oil types (weathered and source oil), in an effort to advance our understanding of the molecular aspects involved during specific toxicity responses. By high throughput sequencing (HTS), we obtained the first de novo transcriptome of mahi-mahi, with 60,842 assembled transcripts and 30,518 BLAST hits. Among them, 2,345 genes were significantly regulated in 96hpf larvae after exposure to weathered oil. With comparative analysis to a reference-transcriptome-guided approach on gene ontology and tox-pathways, we confirmed the novel approach effective for exploring tox-pathways in non-model species, and also identified a list of co-expressed genes as potential biomarkers which will provide information for the construction of an Adverse Outcome Pathway which could be useful in Ecological Risk Assessments.
Alkaline ceramidase 2 is a novel direct target of p53 and induces autophagy and apoptosis through ROS generation
Authors: Wang Yitao , Zhang Chunxue , Jin Yuelei , Wang  , He Qing , Liu Zhu , Ai Qing , Lei Yunlong , Li Yi , Song Fangzhou , Bu Youquan
Published: March 2017

ACER2 is a critical sphingolipid metabolizing enzyme, and has been shown to be remarkably up-regulated following various stimuli such as DNA damage. However, the transcriptional regulatory mechanism of ACER2 gene and its potential role in the regulation of autophagy remain unknown. In this study, we have for the first time identified the human ACER2 gene promoter, and found that human ACER2 transcription is directly regulated by p53 and ACER2 is implicated in the induction of autophagy as well as apoptosis. A series of luciferase reporter assay demonstrated that ACER2 major promoter is located within its first intron where the consensus p53-binding sites exist. Consistently, forced expression of p53 significantly stimulated ACER2 transcription. Notably, p53-mediated autophagy and apoptosis were markedly enhanced by ACER2. Depletion of the essential autophagy gene ATG5 revealed that ACER2-induced autophagy facilitates its effect on apoptosis. Further studies clearly showed that ACER2-mediated autophagy and apoptosis are accompanied by ROS generation. In summary, our present study strongly suggests that ACER2 plays a pivotal role in p53-induced autophagy and apoptosis, and thus might serve as a novel and attractive molecular target for cancer treatment.
Phosphodiesterase-5 inhibition preserves renal hemodynamics and function in mice with diabetic kidney disease by modulating miR-22 and BMP7
Authors: Pofi Riccardo , Fiore Daniela , De Gaetano Rita , Panio Giuseppe , Gianfrilli Daniele , Pozza Carlotta , Barbagallo Federica , Xiang Yang Kevin , Giannakakis Konstantinos , Morano Susanna , Lenzi Andrea , Naro Fabio , Isidori Andrea M. , Venneri Mary Anna
Published: March 2017

Diabetic Nephropathy (DN) is the leading cause of end-stage renal disease. Preclinical and experimental studies show that PDE5 inhibitors (PDE5is) exert protective effects in DN improving perivascular inflammation. Using a mouse model of diabetic kidney injury we investigated the protective proprieties of PDE5is on renal hemodynamics and the molecular mechanisms involved. PDE5i treatment prevented the development of DN-related hypertension (P < 0.001), the increase of urine albumin creatinine ratio (P < 0.01), the fall in glomerular filtration rate (P < 0.001), and improved renal resistive index (P < 0.001) and kidney microcirculation. Moreover PDE5i attenuated the rise of nephropathy biomarkers, soluble urokinase-type plasminogen activator receptor, suPAR and neutrophil gelatinase-associated lipocalin, NGAL. In treated animals, blood vessel perfusion was improved and vascular leakage reduced, suggesting preserved renal endothelium integrity, as confirmed by higher capillary density, number of CD31+ cells and pericyte coverage. Analysis of the mechanisms involved revealed the induction of bone morphogenetic protein-7 (BMP7) expression, a critical regulator of angiogenesis and kidney homeostasis, through a PDE5i-dependent downregulation of miR-22. In conclusion PDE5i slows the progression of DN in mice, improving hemodynamic parameters and vessel integrity. Regulation of miR-22/BMP7, an unknown mechanism of PDE5is in nephrovascular protection, might represent a novel therapeutic option for treatment of diabetic complications.
Temporal and spatial multiplexed infrared single-photon counter based on high-speed avalanche photodiode
Authors: Chen Xiuliang , Ding Chengjie , Pan Haifeng , Huang Kun , Laurat Julien , Wu Guang , Wu E
Published: March 2017

We report on a high-speed temporal and spatial multiplexed single-photon counter with photon-number-resolving capability up to four photons. The infrared detector combines a fiber loop to split, delay and recombine optical pulses and a 200 MHz dual-channel single-photon detector based on InGaAs/InP avalanche photodiode. To fully characterize the photon-number-resolving capability, we perform quantum detector tomography and then reconstruct its positive-operator-valued measure and the associated Wigner functions. The result shows that, despite of the afterpulsing noise and limited system detection efficiency, this temporal and spatial multiplexed single-photon counter can already find applications for large repetition rate quantum information schemes.
To Find a Better Dosimetric Parameter in the Predicting of Radiation-Induced Lung Toxicity Individually: Ventilation, Perfusion or CT based
Authors: Xiao Lin-Lin , Yang Guoren , Chen Jinhu , Wang Xiaohui , Wu Qingwei , Huo Zongwei , Yu Qingxi , Yu Jinming , Yuan Shuanghu
Published: March 2017

This study aimed to find a better dosimetric parameter in predicting of radiation-induced lung toxicity (RILT) in patients with non-small cell lung cancer (NSCLC) individually: ventilation(V), perfusion (Q) or computerized tomography (CT) based. V/Q single-photon emission computerized tomography (SPECT) was performed within 1 week prior to radiotherapy (RT). All V/Q imaging data was integrated into RT planning system, generating functional parameters based on V/Q SPECT. Fifty-seven NSCLC patients were enrolled in this prospective study. Fifteen (26.3%) patients underwent grade ≥2 RILT, the remaining forty-two (73.7%) patients didn’t. Q-MLD, Q-V20, V-MLD, V-V20 of functional parameters correlated more significantly with the occurrence of RILT compared to V20, MLD of anatomical parameters (r = 0.630; r = 0.644; r = 0.617; r = 0.651 vs. r = 0.424; r = 0.520 p < 0.05, respectively). In patients with chronic obstructive pulmonary diseases (COPD), V functional parameters reflected significant advantage in predicting RILT; while in patients without COPD, Q functional parameters reflected significant advantage. Analogous results were existed in fractimal analysis of global pulmonary function test (PFT). In patients with central-type NSCLC, V parameters were better than Q parameters; while in patients with peripheral-type NSCLC, the results were inverse. Therefore, this study demonstrated that choosing a suitable dosimetric parameter individually can help us predict RILT accurately.
Crystallization and hardening of poly(ethylene-co-vinyl acetate) mouthguards during routine use
Authors: Kuwahara Ryoko , Tomita Ryotaro , Ogawa Natsumi , Nakajima Kazunori , Takeda Tomotaka , Uehara Hiroki , Yamanobe Takeshi
Published: March 2017

Mouthguards (MGs) made from poly(ethylene-co-vinyl acetate) (EVA) are widely used in contact sports to prevent injuries such as breaking teeth and lip lacerations and to reduce brain concussion. However, the changes in morphology and the molecular mobility of EVA, which can affect its physical properties during practical usage, have not been precisely examined. Therefore, we attempted to determine the main factors which lead to changes in MG performance after one season of practical use by high school rugby players. Solid-state nuclear magnetic resonance (NMR) and pulse NMR measurements showed the hardening of MGs, which was associated with an increased crystallinity of the EVA resulting from prolonged usage. Furthermore, our data indicated that the increase in the relative amount of the crystalline phase may be primarily attributed to temperature fluctuations and repeated changes in pressure, which could cause the hardening of EVA and eventually diminish the protective ability of MGs.
Rapid determination of boron in oilfield water using a microfluidic instrument
Authors: Floquet Cedric F. A. , Lindvig Thomas , Sieben Vincent J. , MacKay Bruce A. , Mostowfi Farshid
Published: March 2017

We developed and validated an interference free microfluidic instrument for rapid determination of boron concentration in produced water using the carminic acid assay.
Controlling the formation process and atomic structures of single pyrazine molecular junction by tuning the strength of the metal–molecule interaction
Authors: Kaneko Satoshi , Takahashi Ryoji , Fujii Shintaro , Nishino Tomoaki , Kiguchi Manabu
Published: March 2017

Fabrication of single pyrazine molecular junction with Au, Ag and Cu electrodes using mechanically controllable break junction technique in ultra-high vacuum.
Highly efficient heterogeneous aerobic oxidative C–C coupling from Csp3–H bonds by a magnetic nanoparticle-immobilized bipy–gold(iii) catalyst
Authors: Yang Weisen , Wei Li , Yan Tao , Cai Mingzhong
Published: March 2017

The cross-dehydrogenative coupling of tertiary amines with nitroalkanes and ketones has been achieved using a recyclable magnetic nanoparticle-immobilized bipy–gold(iii) catalyst.
Surface chemistry of pure tetragonal ZrO2 and gas-phase dependence of the tetragonal-to-monoclinic ZrO2 transformation
Authors: Köck Eva-Maria , Kogler Michaela , Götsch Thomas , Schlicker Lukas , Bekheet Maged F. , Doran Andrew , Gurlo Aleksander , Klötzer Bernhard , Petermüller Benedikt , Schildhammer Daniel , Yigit Nevzat , Penner Simon
Published: March 2017

Phase-pure stable structurally defective tetragonal ZrO2 with surprising surface and bulk chemical properties.
An organocatalytic method for the synthesis of some novel xanthene derivatives by the intramolecular Friedel–Crafts reaction
Authors: Yıldız Tülay , Küçük Hatice Başpinar
Published: March 2017

An efficient organocatalytic method for the synthesis of new substituted 9-arylxanthenes (2a–2u) starting from diarylcarbinol compounds with an arenoxy group (1a–1u) has been developed using the intramolecular Friedel–Crafts reaction.
Preparation of magnetic porous NiFe2O4/SiO2 composite xerogels for potential application in adsorption of Ce(iv) ions from aqueous solution
Authors: Fu Huiqin , Ding Xingeng , Ren Chunrong , Li Wenqi , Wu Huating , Yang Hui
Published: March 2017

In this work, a novel magnetic porous adsorbent was prepared via a sol–gel method for the removal of Ce(iv) from aqueous solution.
A new fluorescent PET sensor probe for Co2+ion detection: computational, logic device and living cell imaging applications
Authors: Mohandoss Sonaimuthu , Stalin Thambusamy
Published: March 2017

A new probe,2exhibit quenching with Co2+(∼80% at 634 nm) while2·Co2+ensemble exhibit enhancement with NO3−(∼82% at 632.5 nm). On–Off–On behavior of2(Co2+and NO3−ions) the function of a sequential XNOR gate and can be utilized in live cell imaging.
Bi2O3 modification of HZSM-5 for methanol-to-propylene conversion: evidence of olefin-based cycle
Authors: Zhang Hairong , Ning Zhangxuan , Liu Hongyan , Shang Jianpeng , Han Shenghua , Jiang Dingding , Jiang Yu , Guo Yong
Published: March 2017

Bi2O3-modified HZSM-5 catalysts were prepared via a traditional wetness impregnation approach, and used for the methanol-to-propylene conversion reaction.
Graphene nanoribbon based plasmonic Fresnel zone plate lenses
Authors: Deng Sunan , Butt Haider , Jiang Kyle , Dlubak Bruno , Kidambi Piran R. , Seneor Pierre , Xavier Stephane , Yetisen Ali K.
Published: March 2017

A graphene-based metamaterial lens is theoretically proposed by combining plasmonic nanoribbons with Fresnel Zone Plate (FZP) architecture to realize wavelength-selective and tunable lensing.
Bicrystalline TiO2 heterojunction for enhanced organic photodegradation: engineering and exploring surface chemistry
Authors: Zhou Panpan , Xie Yu , Liu Lianjun , Song Jianhua , Chen Tongcai , Ling Yun
Published: March 2017

Bicrystalline TiO2 anatase/rutile (TiAR) and anatase/brookite (TiAB) have been studied for photocatalytic degrdation of organics, while H2O2 treatment induced opposite mechanisms on the surface.
Enhancement of cell uptake and antitumor activity of selenadiazole derivatives through interaction and delivery by serum albumin
Authors: Deng Shulin , Zeng Delong , Luo Yi , Zhao Jianfu , Li Xiaoling , Zhao Zhennan , Chen Tianfeng
Published: March 2017

A series of selenadiazole derivatives has been synthesized and exhibit potent anticancer efficacy through interaction and delivery by serum albumin.
Family-level stereoselective synthesis and biological evaluation of pyrrolomorpholine spiroketal natural product antioxidants
Authors: Verano Alyssa L. , Tan Derek S.
Published: March 2017

The pyranose members of the pyrrolomorpholine spiroketal family have been synthesized by stereoselective spirocyclizations of a common glycal precursor, leading to the identification of novel 2-hydroxy analogues with more potent antioxidant activities than the natural products.
An efficient microbial fuel cell using a CNT–RTIL based nanocomposite
Authors: Mahrokh Leila , Ghourchian Hedayatollah , Nealson Kenneth H. , Mahrokh Mohammad
Published: March 2017

A woven carbon fiber filament coated with a nanocomposite consisting of amine functionalized multi-walled carbon nanotubes and a room temperature ionic liquid was used as the anode and cathode.
Versatile graphene-based photothermal nanocomposites for effectively capturing and killing bacteria, and for destroying bacterial biofilms
Authors: Jia Xinghang , Ahmad Israr , Yang Rong , Wang Chen
Published: March 2017

A multifunctional GO–IO–CS nanocomposite was synthesized. The nanocomposite can effectively capture and eliminate bacteria, and largely destroy bacteria biofilms under NIR irradiation.
Methylene blue-containing liposomes as new photodynamic anti-bacterial agents
Authors: Boccalini Giulia , Conti Luca , Montis Costanza , Bani Daniele , Bencini Andrea , Berti Debora , Giorgi Claudia , Mengoni Alessio , Valtancoli Barbara
Published: March 2017

Novel cationic liposomes containing the photo-activatable drug methylene blue (MB) strongly enhance the antibacterial activity of MB towards Gram-negative bacteria and improve biofilm penetration.
Electrochemically stimulated drug release from flexible electrodes coated electrophoretically with doxorubicin loaded reduced graphene oxide
Authors: He Lijie , Sarkar Sujoy , Barras Alexandre , Boukherroub Rabah , Szunerits Sabine , Mandler Daniel
Published: March 2017

The electrochemically triggered release of doxorubicin (DOX) from flexible electrodes modified electrophoretically with reduced graphene oxide (rGO)-DOX is reported.
An NIR-emitting lysosome-targeting probe with large Stokes shift via coupling cyanine and excited-state intramolecular proton transfer
Authors: Dahal Dipendra , McDonald Lucas , Bi Xiaoman , Abeywickrama Chathura , Gombedza Farai , Konopka Michael , Paruchuri Sailaja , Pang Yi
Published: March 2017

A NIR-emitting probe with a large Stokes shift (Δλ ≈ 234 nm) can selectively show lysosome organelles without exhibiting “an alkalinizing effect”.
The role of ion–water interactions in determining the Soret coefficient of LiCl aqueous solutions
Authors: Di Lecce Silvia , Albrecht Tim , Bresme Fernando
Published: March 2017

The solvation structure of Li+ plays a key role in determining the Soret coefficient of LiCl aqueous solutions.
Synthesis of (NHC)Pd(salicylaldimine)Cl complexes through template-directed ortho-aromatic metaloxylation of NHC–palladacycles derived from arylimines
Authors: Yang Jin
Published: March 2017

NHC–palladacycles were ortho-aromatic metaloxylated in the presence of tert-butyl hydroperoxide, affording (NHC)Pd(salicylaldimine)Cl complexes. Furthermore, they also showed efficient catalytic activities toward the ortho-aromatic hydroxylation of arylimines.
The assembly of “S3N”-ligands decorated with an azo-dye as potential sensors for heavy metal ions
Authors: Rasheed O. K. , McDouall J. J. W. , Muryn C. A. , Raftery J. , Vitorica-Yrezabal I. J. , Quayle P.
Published: March 2017

The synthesis and complexation of azo dye-S3N crown conjugates with Ag(i), Cu(ii) and Hg(ii) is described.
Histone lysine methyltransferase structure activity relationships that allow for segregation of G9a inhibition and anti-Plasmodium activity
Authors: Sundriyal Sandeep , Chen Patty B. , Lubin Alexandra S. , Lueg Gregor A. , Li Fengling , White Andrew J. P. , Malmquist Nicholas A. , Vedadi Masoud , Scherf Artur , Fuchter Matthew J.
Published: March 2017

We identify key SAR features which demonstrate that high parasite vs. G9a selectivity can be achieved for the quinazoline inhibitor chemotype.
3D printed remendable polylactic acid blends with uniform mechanical strength enabled by a dynamic Diels–Alder reaction
Authors: Appuhamillage Gayan A. , Reagan John C. , Khorsandi Sina , Davidson Joshua R. , Voit Walter , Smaldone Ronald A.
Published: March 2017

We demonstrate that uniform mechanical properties can be achieved in 3D printed polymer blends by using a dynamic Diels–Alder reaction.
Metal/TiO2 hierarchical nanocomposite arrays for the remarkable enhancement of photocatalytic activity
Authors: Dong Kun , Huang Lu , Wang Changzheng , Xu Ping , Zhang Yajun , Feng Cuimin , Chen Tao , Wang Qiang , Zhang Yang
Published: March 2017

Metal/TiO2 hierarchical nanocomposite arrays were assembled by the deposition of aggregated TiO2 nanoparticles on anodic aluminum oxide templates and the subsequent loading of metal nanoparticles by electrochemical deposition.
Nanostructured lipid carrier (NLC)-based novel hydrogels as potential carriers for nepafenac applied after cataract surgery for the treatment of inflammation: design, characterization and in vitro cellular inhibition and uptake studies
Authors: Yu Shihui , Tan Guoxin , Liu Dandan , Yang Xinggang , Pan Weisan
Published: March 2017

Schematic illustration of the novel formulation (nanostructured lipid carriers-based novel hydrogels) instills into the surface of eyes and the results of cytotoxicity and cell uptake for optimal formulation.
Oxidative cross-coupling reaction by scandium catalysis for synthesis of α-alkyl α-amino acid ester derivatives
Authors: Wei Xiao-Hong , Zhao Lian-Biao , Zhou Han-Cheng
Published: March 2017

A novel oxidative cross-coupling reaction between N-arylglycine esters and alkyl boronic acid esters was developed by scandium catalysis.
Enhancement of the magnetoresistive property by introducing disorder in the (La1−xYx)0.7Ca0.3MnO3 compound
Authors: Banik Sanjib , Das Kalipada , Das I.
Published: March 2017

Enhancement of magnetoresistance in the optimal doped (La0.5Y0.5)0.7Ca0.3MnO3 compound.
N-Doped hierarchical porous carbon from waste boat-fruited sterculia seed for high performance supercapacitors
Authors: Wang Wenxiu , Quan Hongying , Gao Weimin , Zou Ren , Chen Dezhi , Dong Yinghu , Guo Lin
Published: March 2017

N-Doped hierarchical porous carbon (NHPC) was obtained from waste boat-fruited sterculia seed by hydrothermal carbonization and KOH activation.
Study on fracture behavior of individual InAs nanowires using an electron-beam-drilled notch
Authors: Choi Suji , Lee Jong Hoon , Pin Min Wook , Jang Dong Won , Hong Seong-Gu , Cho Boklae , Lee Sang Jun , Jeong Jong Seok , Yi Seong-Hoon , Kim Young Heon
Published: March 2017

The mechanical properties and fracture behavior of individual InAs nanowires (NWs) were investigated under uniaxial tensile loading in a transmission electron microscope.
Plasmonic-induced SERS enhancement of shell-dependent Ag@Cu2O core–shell nanoparticles
Authors: Chen Lei , Sun Huanhuan , Zhao Yue , Zhang Yongjun , Wang Yaxin , Liu Yang , Zhang Xiaolong , Jiang Yuhong , Hua Zhong , Yang Jinghai
Published: March 2017

In this study, we designed shell-dependent Ag@Cu2O core–shell nanoparticles (NPs) for SERS study. Compared to Cu2O NPs, Ag@Cu2O core–shell NPs exhibited high SERS activity because of the localized surface plasmon resonance (LSPR) from Ag core.
Novel eco-friendly biocatalyst: soybean peroxidase immobilized onto activated carbon obtained from agricultural waste
Authors: Torres J. A. , Nogueira F. G. E. , Silva M. C. , Lopes J. H. , Tavares T. S. , Ramalho T. C. , Corrêa A. D.
Published: March 2017

Closed cycle of immobilized biocatalyst production with maximum biomass use applicable in several areas.
Synergistic effects of silica nanoparticles/polycarboxylate superplasticizer modified graphene oxide on mechanical behavior and hydration process of cement composites
Authors: Zhao Li , Guo Xinli , Liu Yuanyuan , Ge Chuang , Guo Liping , Shu Xin , Liu Jiaping
Published: March 2017

The hybrid structure of SiO2 NPs/PC@GO has synergistic effects on cement hydration and pozzolanic reaction.
Synthesis and application of monodisperse hydrophobic magnetite nanoparticles as an oil spill collector using an ionic liquid
Authors: Atta Ayman M. , Ezzat Abdelrhman O. , Hashem Ahmed I.
Published: March 2017

In this work, a new facile green method was proposed to prepare monodisperse magnetic nanoparticles at room temperature with controlled shape and size.
Two-dimensional nanosheets for electrocatalysis in energy generation and conversion
Authors: Tao Hengcong , Gao Yunnan , Talreja Neetu , Guo Fen , Texter John , Yan Chao , Sun Zhenyu
Published: March 2017

2D materials for the electrochemical oxygen reduction reaction, oxygen evolution reaction, hydrogen evolution reaction, and CO2reduction are critically reviewed.
Revitalizing spherical Au@Pd nanoparticles with controlled surface-defect density as high performance electrocatalysts
Authors: Zhang Peina , Xiahou Yujiao , Wang Jin , Hang Lihui , Wang Dayang , Xia Haibing
Published: March 2017

This is the first report of surface-defect dependent performance of Au@Pd nanoparticles with modulated sizes and surface-defect densities.
Controllable MnCo2S4 nanostructures for high performance hybrid supercapacitors
Authors: Elshahawy Abdelnaby M. , Li Xin , Zhang Hong , Hu Yating , Ho Kuan Hung , Guan Cao , Wang John
Published: March 2017

Sulphospinel materials, such as MnCo2S4, are being widely investigated as a promising class of candidates for energy storage.
Sandwiched graphene inserted with graphene-encapsulated yolk–shell γ-Fe2O3nanoparticles for efficient lithium ion storage
Authors: Zhang Miao , Liu Enzuo , Cao Tingting , Wang Huayu , Shi Chunsheng , Li Jiajun , He Chunnian , He Fang , Ma Liying , Zhao Naiqin
Published: March 2017

YS-γ-Fe2O3@G-GS is fabricated byin situCVD, whose unique structure is advantageous because it offers excellent stability and superior rate capability for LIBs.
Towards an electronic grade nanoparticle-assembled silicon thin film by ballistic deposition at room temperature: the deposition method, and structural and electronic properties
Authors: Nava Giorgio , Fumagalli Francesco , Gambino Salvatore , Farella Isabella , Dell'Erba Giorgio , Beretta Davide , Divitini Giorgio , Ducati Caterina , Caironi Mario , Cola Adriano , Di Fonzo Fabio
Published: March 2017

High-throughput plasma synthesis of highly crystalline nanoparticle-assembled silicon thin films.
The impact of aggregation on the p-doping kinetics of poly(3-hexylthiophene)
Authors: McFarland Frederick M. , Bonnette Lindsey R. , Acres Elisha A. , Guo Song
Published: March 2017

P3HT nanowhiskers are p-doped by F4-TCNQ faster than solubilized P3HT chains in toluene because of their highly ordered molecular packing.
Omnidirectional video coding using latitude adaptive down‐sampling and pixel rearrangement
Authors: Lee S.‐H. , Kim S.‐T. , Yip E. , Choi B.‐D. , Song J. , Ko S.‐J.
Published: March 2017

Projection of omnidirectional videos in the spherical domain onto the planar domain is required to utilise existing video compression techniques. Due to its simplicity, the equirectangular projection (ERP) method has been widely adopted for sphere‐to‐plane mapping. However, the coding efficiency of the ERP method is inefficient because the ERP video includes visual redundancies in the high latitude areas of the sphere. To solve this problem, this Letter presents an efficient data compression scheme that employs latitude adaptive down‐sampling followed by pixel rearrangement. Experimental results show that the proposed method can achieve a bitrate reduction of up to 28.9%, as compared with the ERP.
Substrate integrated waveguide 3 dB directional coupler based on air‐filled vias
Authors: Li Teng , Dou Wenbin
Published: March 2017

A novel substrate integrated waveguide (SIW) 3 dB directional coupler based on air‐filled vias (AFVs) is proposed and experimentally validated at Ka band. The AFV units can be used for tuning the effective permittivity by adjusting the dimensions of vias and period. Two rows of optimised AFVs are inserted in each branch of SIW directional coupler to cut off TE30 mode and achieve 3 dB coupling with 90° phase difference. A 90° phase shifter is designed based on the AFVs as well and the quarter wavelength impedance transformer is introduced. Finally, a 3 dB directional coupler prototype with 180° phase difference was designed and fabricated. The experimental results show that about 11.43% fractional bandwidth is obtained with a return loss of input port better than 19 dB, power equality within ±0.33 dB, isolation better than 25 dB and phase differences within 180° ± 10°. The agreements between simulations and measurements validate the design and it is a good candidate for millimetre‐wave applications.
Design of broadband power amplifier based on a series of novel continuous inverse modes
Authors: Luo Wen , Tang Zongxi , Ge Binbin , Cao Xin
Published: March 2017

A series of novel continuous inverse modes based on current element is proposed. The series of novel continuous inverse mode is extended by increasing the coefficient in the current equation of traditional inverse class F power amplifier (PA). The theoretical analysis shows that new current equation can provide a wide matching space for the design of broadband high efficiency PAs. To prove this theory, a wideband high efficiency PA is designed and fabricated. The experimental test results show that the drain efficiency is 65–78% in the 1.8–3G frequency range. The designed PA can obtain output power from 12.9 to 21 W and gain is from 10 to 13.3 dB in the interesting frequency range.
A Copper-Catalyzed N-Alkynylation Route to 2-Substituted N-Alkynyl Pyrroles and Their Cyclization into Pyrrolo[2,1-c]oxazin-1-ones: A Formal Total Synthesis of Peramine
Authors: Reinus Brandon , Kerwin Sean
Published: March 2017

Screening of a variety of ligands and reaction conditions for the copper-catalyzed cross-coupling of alkynyl bromides with pyrroles, reveals that the use of the phenanthroline ligand 4,7-dimethoxy-1,10-phenanthroline affords a range of ynpyrroles in good to moderate yields. Furthermore, the utility of these ynpyrroles is demonstrated in the preparation of a series of pyrrolo[2,1-c][1,4]oxazin-1-ones and a formal total synthesis of the pyrrole natural product peramine.
Point-of-Care Coagulation Monitoring in Trauma Patients
Authors: Stein Philipp , Kaserer Alexander , Spahn Gabriela , Spahn Donat
Published: March 2017

Trauma remains one of the major causes of death and disability all over the world. Uncontrolled blood loss and trauma-induced coagulopathy represent preventable causes of trauma-related morbidity and mortality. Treatment may consist of allogeneic blood product transfusion at a fixed ratio or in an individualized goal-directed way based on point-of-care (POC) and routine laboratory measurements. Viscoelastic POC measurement of the developing clot in whole blood and POC platelet function testing allow rapid and tailored coagulation and transfusion treatment based on goal-directed, factor concentrate–based algorithms. The first studies have been published showing that this concept reduces the need for allogeneic blood transfusion and improves outcome. This review highlights the concept of goal-directed POC coagulation management in trauma patients, introduces a selection of POC devices, and presents algorithms which allow a reduction in allogeneic blood product transfusion and an improvement of trauma patient outcome.
Developing Organization-wide BPM Capabilities in an SME: The Approaches Used, Challenges and Outcomes
Authors: Bandara Wasana , Opsahl Hanna
Published: March 2017

Business Process Management (BPM) is well known for improving the competitiveness and sustainability of a business, and is widely applied. But, BPM practices in SMEs are alarmingly low, regardless of the potential positive impacts BPM brings. This is due to: limited resources, absence of a cross-functional mindset and lack of strategic clarity. Adopting BPM as a management paradigm across the enterprise [hereafter referred to as Enterprise-BPM (E-BPM)] reduces operational inefficiencies and supports innovative practices essential for success, which is the key to SMEs. However, SMEs lack the required know-how, and hence, BPM education/training plays a vital role in supporting this transformation. Teaching cases are recognized as a useful form of education to bring real life to the classroom, and more and more BPM teaching cases are emerging. However, there is a shortcoming in teaching cases addressing E-BPM, and teaching cases addressing E-BPM in SMEs are to date non-existent. This teaching case, especially developed to address this gap, is based on a Norwegian conference venue operating in the Norwegian market. This narrative describes the organization, the context for deploying BPM on enterprise-level and related challenges.
Controllable deposition distance of aligned pattern via dual-nozzle near-field electrospinning
Authors: Wang Zhifeng , Chen Xindu , Zeng Jun , Liang Feng , Wu Peixuan , Wang Han
Published: March 2017

For large area micro/nano pattern printing, multi-nozzle electrohydrodynamic (EHD) printing setup is an efficient method to boost productivity in near-field electrospinning (NFES) process. And controlling EHD multi-jet accurate deposition under the interaction of nozzles and other parameters are crucial concerns during the process. The influence and sensitivity of various parameters such as the needle length, needle spacing, electrode-to-collector distance, voltage etc. on the direct-write patterning performance was investigated by orthogonal experiments with dual-nozzle NFES setup, and then the deposition distance estimated based on a novel model was compared with measurement results and proven. More controllable deposition distance and much denser of aligned naofiber can be achieved by rotating the dual-nozzle setup. This study can be greatly contributed to estimate the deposition distance and helpful to guide the multi-nozzle NFES process to accurate direct-write pattern in manufacturing process in future.
Homogeneous nucleation of water in argon. Nucleation rate computation from molecular simulations of TIP4P and TIP4P/2005 water model
Authors: Dumitrescu Lucia R. , Smeulders David M. J. , Dam Jacques A. M. , Gaastra-Nedea Silvia V.
Published: March 2017

Molecular dynamics (MD) simulations were conducted to study nucleation of water at 350 K in argon using TIP4P and TIP4P/2005 water models. We found that the stability of any cluster, even if large, strongly depends on the energetic interactions with its vicinity, while the stable clusters change their composition almost entirely during nucleation. Using the threshold method, direct nucleation rates are obtained. Our nucleation rates are found to be 1.08×1027 cm−3 s−1 for TIP4P and 2.30×1027 cm−3 s−1 for TIP4P/2005. The latter model prescribes a faster dynamics than the former, with a nucleation rate two times larger due to its higher electrostatic charges. The non-equilibrium water densities derived from simulations and state-of-art equilibrium parameters from Vega and de Miguel [J. Chem. Phys. 126, 154707 (2007)] are used for the classical nucleation theory (CNT) prediction. The CNT overestimates our results for both water models, where TIP4P/2005 shows largest discrepancy. Our results complement earlier data at high nucleation rates and supersaturations in the Hale plot [Phys. Rev. A 33, 4156 (1986)], and are consistent with MD data on the SPC/E and the TIP4P/2005 model.
Group molecular orbital approach to solve the Huzinaga subsystem self-consistent-field equations
Authors: Shimazaki Tomomi , Kitaura Kazuo , Fedorov Dmitri G. , Nakajima Takahito
Published: March 2017

An algorithm to solve the Huzinaga subsystem self-consistent field equations is proposed using two approximations: a local expansion of subsystem molecular orbitals and a truncation of the projection operator. Test calculations are performed on water and ammonia clusters, and n-alkane and poly-glycine. The errors were 2.2 and −0.6 kcal/mol for (H2O)40 and C40H82, respectively, at the Hartree-Fock level with the 6-31G basis set.
Room temperature multiferroicity in hydrogenated triapentafulvalene and pentaheptafulvalene oligomers
Authors: Yang Hui , Huang Zhongbing , Gao Yun , Lin Haiqing
Published: March 2017

To search for new organic multiferroics, we perform a systematic study on the magnetic and ferroelectric properties of fused triapentafulvalene and pentaheptafulvalene oligomers (n = 2-6), by using the density functional theory and quantum Monte Carlo method. It is found that the oligomers without hydrogenation always lie in the spin singlet (nonmagnetic) state, while a selective hydrogenation of carbon atoms at the ends of oligomers can result in the spin triplet (ferromagnetic) state, which is tens to hundreds meV lower than the nonmagnetic state. The formation of ferromagnetism can be attributed to the hydrogenation-induced near degeneracy between the highest occupied and lowest unoccupied molecular orbitals. Simultaneously, there exists a finite dipole moment in the ferromagnetic state, due to the breaking of the inversion symmetry of oligomers. Our results imply that the hydrogenated triapentafulvalene and pentaheptafulvalene oligomers could be promising candidates in the development of room temperature organic multiferroics.
Current-induced surface roughness reduction in conducting thin films
Authors: Du Lin , Maroudas Dimitrios
Published: March 2017

Thin film surface roughness is responsible for various materials reliability problems in microelectronics and nanofabrication technologies, which requires the development of surface roughness reduction strategies. Toward this end, we report modeling results that establish the electrical surface treatment of conducting thin films as a physical processing strategy for surface roughness reduction. We develop a continuum model of surface morphological evolution that accounts for the residual stress in the film, surface diffusional anisotropy and film texture, film's wetting of the layer that is deposited on, and surface electromigration. Supported by linear stability theory, self-consistent dynamical simulations based on the model demonstrate that the action over several hours of a sufficiently strong and properly directed electric field on a conducting thin film can reduce its surface roughness and lead to a smooth planar film surface. The modeling predictions are in agreement with experimental measurements on copper thin films deposited on silicon nitride layers.
The Simpson’s paradox in quantum mechanics
Authors: Selvitella Alessandro
Published: March 2017

In probability and statistics, the Simpson’s paradox is a paradox in which a trend that appears in different groups of data disappears when these groups are combined, while the reverse trend appears for the aggregate data. In this paper, we give some results about the occurrence of the Simpson’s paradox in quantum mechanics. In particular, we prove that the Simpson’s paradox occurs for solutions of the quantum harmonic oscillator both in the stationary case and in the non-stationary case. In the non-stationary case, the Simpson’s paradox is persistent: if it occurs at any time t=t∼, then it occurs at any time t≠t∼. Moreover, we prove that the Simpson’s paradox is not an isolated phenomenon, namely, that, close to initial data for which it occurs, there are lots of initial data (a open neighborhood), for which it still occurs. Differently from the case of the quantum harmonic oscillator, we also prove that the paradox appears (asymptotically) in the context of the nonlinear Schrödinger equation but at intermittent times.
Limited surface mobility inhibits stable glass formation for 2-ethyl-1-hexanol
Authors: Tylinski M. , Beasley M. S. , Chua Y. Z. , Schick C. , Ediger M. D.
Published: March 2017

Previous work has shown that vapor-deposition can prepare organic glasses with extremely high kinetic stabilities and other properties that would be expected from liquid-cooled glasses only after aging for thousands of years or more. However, recent reports have shown that some molecules form vapor-deposited glasses with only limited kinetic stability when prepared using conditions expected to yield a stable glass. In this work, we vapor deposit glasses of 2-ethyl-1-hexanol over a wide range of deposition rates and test several hypotheses for why this molecule does not form highly stable glasses under normal deposition conditions. The kinetic stability of 2-ethyl-1-hexanol glasses is found to be highly dependent on the deposition rate. For deposition at Tsubstrate = 0.90 Tg, the kinetic stability increases by 3 orders of magnitude (as measured by isothermal transformation times) when the deposition rate is decreased from 0.2 nm/s to 0.005 nm/s. We also find that, for the same preparation time, a vapor-deposited glass has much more kinetic stability than an aged liquid-cooled glass. Our results support the hypothesis that the formation of highly stable 2-ethyl-1-hexanol glasses is inhibited by limited surface mobility. We compare our deposition rate experiments to similar ones performed with ethylcyclohexane (which readily forms glasses of high kinetic stability); we estimate that the surface mobility of 2-ethyl-1-hexanol is more than 4 orders of magnitude less than that of ethylcyclohexane at 0.85 Tg.