bluuebunny/crossref_metadata_2025 huggingface dataset:
Café com Especialista e Conexão Sistemas: PET-SI promovendo discussão e diálogo entre alunos, professores e profissionais da Informática
Authors: Oliveira Lucas Lima de , Almeida Anthony Tailer Ribas de , Nogueira Camila Da Luz , Araujo Cassio Castro , Krein Franciel Augusto Augusto Hass , Corrêa Iago Da Cunha , Steil Leonardo Henrique , Fazul Rhauani Weber Aita , Casarotto Romeu Isaac , Barcelos Patrícia Pitthan de Araújo
Published: June 2017

O Programa de Educação Tutorial dentro dos cursos em que está inserido visa qualificar a formação dos alunos através de atividades de ensino, pesquisa e extensão. Especialmente na área da Computação, frequentemente surgem novas tecnologias, pesquisas e assuntos a serem abordados. Portanto, é essencial que o grupo encontre, junto à comunidade acadêmica, formas de se adaptar a essas mudanças e conhecer o que de fato está acontecendo na área. Algumas atividades específicas promovidas pelo grupo visam essencialmente as questões de adaptação dos profissionais que serão formados pelo curso através de debates e conversas informais com profissionais do meio.
Perfil dos egressos do Curso de Ciência da Computação da Universidade Federal de Santa Maria
Authors: Garcia Vinícius Fülber , Santana Brenda Salenave , Gaiardo Guilherme De Freitas , Cardoso Paulo Vinícius , Real Lucas Saibt , Stringhini Rômulo Marconato , Librelotto Giovani Rubert
Published: June 2017

Este artigo apresenta uma análise acerca de um estudo realizado com alunos egressos do curso de Ciência da Computação da Universidade Federal de Santa Maria, a de modo a traçar um perfil do profissional graduado no curso por esta instituição. A fim de se ampliar perspectiva interna do curso e traçar metas capazes melhorar a qualidade do mesmo, tal levantamento deu-se por meio de uma pesquisa realizada com alunos formados no período de 1996 à 2015. Para tanto, a pesquisa elaborada apresenta um nível de confiança de 80\% com erro amostral de 6,5\%. Os resultados obtidos demonstram uma grande tendência a área acadêmica, bem como refletem o dinamismo e os diferentes perfis de um egresso do curso de Ciência da Computação.
Prosurvival long noncoding RNA PINCR regulates a subset of p53 targets in human colorectal cancer cells by binding to Matrin 3
Authors: Chaudhary Ritu , Gryder Berkley , Woods Wendy S , Subramanian Murugan , Jones Matthew F , Li Xiao Ling , Jenkins Lisa M , Shabalina Svetlana A , Mo Min , Dasso Mary , Yang Yuan , Wakefield Lalage M , Zhu Yuelin , Frier Susan M , Moriarity Branden S , Prasanth Kannanganattu V , Perez-Pinera Pablo , Lal Ashish
Published: June 2017

Thousands of long noncoding RNAs (lncRNAs) have been discovered, yet the function of the vast majority remains unclear. Here, we show that a p53-regulated lncRNA which we named PINCR (p53-induced noncoding RNA), is induced ~100-fold after DNA damage and exerts a prosurvival function in human colorectal cancer cells (CRC) in vitro and tumor growth in vivo. Targeted deletion of PINCR in CRC cells significantly impaired G1 arrest and induced hypersensitivity to chemotherapeutic drugs. PINCR regulates the induction of a subset of p53 targets involved in G1 arrest and apoptosis, including BTG2, RRM2B and GPX1. Using a novel RNA pulldown approach that utilized endogenous S1-tagged PINCR, we show that PINCR associates with the enhancer region of these genes by binding to RNA-binding protein Matrin 3 that, in turn, associates with p53. Our findings uncover a critical prosurvival function of a p53/PINCR/Matrin 3 axis in response to DNA damage in CRC cells.
Anterior hip pain in the adult: an algorithmic approach to diagnosis
Authors: Mansour E. Shawn , Steingard Michael A.
Published: June 2017

The adult patient who complains of anterior hip pain is a dilemma frequently encountered by the primary care physician. Detailed history taking, physical examination, and plain x-ray films are indicated for the initial evaluation. Anterior hip pain is often diagnosed as musculoskeletal strain/sprain and treated with a conservative regimen represented by the acronym NICER (nonsteroidal antiinflammatory drugs, ice, compression, elevation, and rest) with or without physical therapy. On occasion, this therapy fails to eradicate the symptoms. When these symptoms are refractory to diagnosis by conventional means, a more comprehensive evaluation of the etiology is warranted. Refractory pain is defined in the authors' practice as pain that persists after 4 weeks of initial conservative management. This subsequent evaluation includes the use of such laboratory tests as complete blood cell count with differential count, Chern 20 health profile, erythrocyte sedimentation rate, and an arthritic panel (assessment of rheumatoid factor, antinuclear antibody, C-reactive protein). Ancillary radiologic tests warranted include a nuclear bone scan, a magnetic resonance imaging scan, a computed tomography arthrogram with hip aspiration, and/or a scan of white blood cells labeled with indium 111. The test chosen depends on the etiology most suspected. A useful diagnostic algorithm for the investigation of anterior hip pain in the adult is provided. An illustrative case presentation of carcinoma of an unknown primary site presenting as anterior hip pain demonstrates the algorithm as it applies in the authors' practice.
Focal atrophy and cerebrospinal fluid rhinorrhea
Authors: Ator Clark B. , Toffol. Gilbert J.
Published: June 2017

Focal atrophy is a diagnosis of exclusion in nontraumatic cerebrospinal fluid rhinorrhea. It is most commonly associated with ethmoid or sphenoid sinus defects and is most prevalent in women between the ages of 30 and 40 years. In the unique case described, a 39-year old woman had focal atrophy and cerebrospinal fluid rhinorrhea secondary to a sphenoid sinus defect. The defect was diagnosed by computed tomography scans and repaired neurosurgically.
Elective Surgery After Endoscopic Self-Expandable Metallic Stent Placement for Patients With Obstructive Colon Cancer: Preoperative Systemic Evaluation and Management
Authors: Matsushima Hajime , Adachi Tomohiko , Hamada Takashi , Moriuchi Hiroki , Yamaguchi Tohei , Ichinose Hitomi , Goto Takashi , Iwata Toru , Eguchi Susumu
Published: June 2017

One-stage curative surgical resection for obstructive colon cancer is challenging. Self-expandable metallic stents (SEMSs) are known as an alternative treatment used to avoid emergency operation. We aimed to evaluate the significance of SEMS placement as a bridge to surgery and the surgical outcomes of the elective operation. A consecutive 20 patients with obstructive colon cancer undergoing SEMS placement between June 2014 and February 2016 were included. The technical outcomes of the SEMS placement, surgical procedures, and surgical outcomes were evaluated retrospectively. Among them, 2 patients were treated with a SEMS palliatively, and the others were treated with a SEMS as a bridge to surgery. All SEMS were placed successfully at the first attempt, and there was no SEMS-related complication. Before surgery, all patients could be diagnosed histologically, and they were evaluated systemically including proximal colon or distant metastasis. The median time to operation after SEMS placement was 14 days (range 9–20 days). Seven of the 18 patients underwent a laparoscopic colectomy without conversion to laparotomy. All patients with stage II or III colon cancer underwent curative surgery, and 2 patients with stage IV colon cancer underwent a one-stage resection of the primary colon cancer and simultaneous liver metastasis after the evaluation of hepatic functional reserve. There was no mortality or SEMS-related complication in the perioperative period. SEMS placement as a bridge to surgery for patients with obstructive colon cancer is safe and effective to provide an adequate amount of time for a preoperative systemic management and evaluation.
Recent advances in nanodisc technology for membrane protein studies (2012–2017)
Authors: Rouck John E. , Krapf John E. , Roy Jahnabi , Huff Hannah C. , Das Aditi
Published: June 2017

Historically, the main barrier to membrane protein investigations has been the tendency of membrane proteins to aggregate (due to their hydrophobic nature), in aqueous solution as well as on surfaces. The introduction of biomembrane mimetics has since stimulated momentum in the field. One such mimetic, the nanodisc (ND) system, has proved to be an exceptional system for solubilizing membrane proteins. Herein, we critically evaluate the advantages and imperfections of employing nanodiscs in biophysical and biochemical studies. Specifically, we examine the techniques that have been modified to study membrane proteins in nanodiscs. Techniques discussed here include fluorescence microscopy, solution‐state/solid‐state nuclear magnetic resonance, electron microscopy, small‐angle X‐ray scattering, and several mass spectroscopy methods. Newer techniques such as SPR, charge‐sensitive optical detection, and scintillation proximity assays are also reviewed. Lastly, we cover how nanodiscs are advancing nanotechnology through nanoplasmonic biosensing, lipoprotein‐nanoplatelets, and sortase‐mediated labeling of nanodiscs.
Peptide microarray analysis of the cross‐talk between O‐GlcNAcylation and tyrosine phosphorylation
Authors: Shi Jie , Tomašič Tihomir , Sharif Suhela , Brouwer Arwin J. , Anderluh Marko , Ruijtenbeek Rob , Pieters Roland J.
Published: June 2017

O‐GlcNAcylation of proteins regulates important cellular processes. A few reports noted that O‐GlcNAcylation exhibits cross‐talk with tyrosine phosphorylation. With an activity‐based microarray analysis of 256 tyrosine kinase peptide substrates, we found that phosphorylation of six peptides by Jak2 inhibits their subsequent O‐GlcNAcylation. However, O‐GlcNAcylation has no detectable effect on their subsequent phosphorylation. A specific peptide (ZO3_357_371), derived from the ZO‐3 protein, was studied in detail. Kinetic results show that the presence of a phosphate at Tyr364 of ZO3_357_371 slows the O‐GlcNAcylation of nearby Ser369, while the presence of a GlcNAc at Ser369 has no significant effect on the phosphorylation of this peptide at Tyr364. These findings provide a glimpse into the new paradigm for cellular signaling control by cross‐talk.
DDAH1 mediates gastric cancer cell invasion and metastasis via Wnt/β‐catenin signaling pathway
Authors: Ye Jianxin , Xu Jie , Li Yun , Huang Qiang , Huang Jinsheng , Wang Jinzhou , Zhong Wenjing , Lin Xinjian , Chen Wannan , Lin Xu
Published: June 2017

Gastric cancer (GC) represents the fourth most common malignant neoplasm and the second leading cause of cancer death. Despite therapeutic advances in recent decades, the clinical outcome remains dismal owing to the fact that most patients with GC show advanced disease at diagnosis and current chemotherapy only confers a modest survival advantage. Identification of key molecular signaling pathways involved in gastric carcinogenesis and progression would aid in early diagnosis and provide a rational design for targeted therapies in selected patients with advanced GC, to improve their outcome. Dimethylarginine dimethylaminohydrolase 1 (DDAH1) is the main enzyme that can degrade asymmetric dimethylarginine, an endogenous nitric oxide synthase (NOS) inhibitor. Increased DDAH1 expression and NO production have been linked to multiple pathological conditions including cancer. However, the prognostic significance of DDAH1 in patients with GC and its function in GC progression remain undefined. In this study, we found that downregulation of DDAH1 was frequently detected in GC tissues and strongly correlated with more aggressive phenotypes and poor prognosis. Functional assays confirmed that forced expression of DDAH1 in the GC cells suppressed cell migration and invasion in vitro, as well as metastatic potential in vivo. DDAH1 overexpression inhibited the epithelial–mesenchymal transition process by increasing β‐catenin degradation through the attenuation of Wnt/GSK‐3β signaling. In contrast, knockdown of DDAH1 produced the opposite effect. These findings suggest that DDAH1 functions as a tumor suppressor in GC and may be exploited as a diagnostic and prognostic biomarker for GC.
Retracted:HBx‐mediated decrease of AIM2 contributes to hepatocellular carcinoma metastasis
Authors: Chen Shi‐Lu , Liu Li‐Li , Lu Shi‐Xun , Luo Rong‐Zhen , Wang Chun‐Hua , Wang Hong , Cai Shao‐Hang , Yang Xia , Xie Dan , Zhang Chris Zhiyi , Yun Jing‐Ping
Published: June 2017

Tumor metastasis is responsible for the high mortality rates in patients with hepatocellular carcinoma (HCC). Absent in melanoma 2 (AIM2) has been implicated in inflammation and carcinogenesis, although its role in HCC metastasis remains unknown. In the present study, we show that AIM2 protein expression was noticeably reduced in HCC cell lines and clinical samples. A reduction in AIM2 was closely associated with higher serum AFP levels, vascular invasion, poor tumor differentiation, an incomplete tumor capsule and unfavorable postsurgical survival odds. In vitro studies demonstrated that AIM2 expression was modulated by hepatitis B virus X protein (HBx) at transcriptional and post‐translational levels. HBx overexpression markedly blocked the expression of AIM2 at mRNA and protein levels by enhancing the stability of Enhancer of zeste homolog 2 (EZH2). Furthermore, HBx interacted with AIM2, resulting in an increase of AIM2 degradation via ubiquitination induction. Functionally, knockdown of AIM2 enhanced cell migration, formation of cell pseudopodium, wound healing and tumor metastasis, whereas reintroduction of AIM2 attenuated these functions. The loss of AIM2 induced the activation of epithelial‐mesenchymal transition (EMT). Fibronectin 1 (FN1) was found to be a downstream effector of AIM2, with its expression reversely modulated by AIM2. Silencing of FN1 significantly halted cell migration induced by AIM2 depletion. These data demonstrate that HBx‐induced loss of AIM2 is associated with poor outcomes and facilitates HCC metastasis by triggering the EMT process. The results of the present study therefore suggest that AIM2 is a potential prognostic biomarker in hepatitis B virus‐related HCC, as well as a possible therapeutic target for tumor metastasis.
Acoustic characterization of crack damage evolution in sandstone deformed under conventional and true triaxial loading
Authors: Browning J. , Meredith P. G. , Stuart C. E. , Healy D. , Harland S. , Mitchell T. M.
Published: June 2017

We present a comparative study of crack damage evolution in dry sandstone under both conventional (σ1 > σ2 = σ3), and true triaxial (σ1 > σ2 > σ3) stress conditions using results from measurements made on cubic samples deformed in three orthogonal directions with independently controlled stress paths. To characterize crack damage, we measured the changes in ultrasonic compressional and shear wave velocities in the three principal directions, together with the bulk acoustic emission (AE) output contemporaneously with stress and strain. We use acoustic wave velocities to model comparative crack densities and orientations. In essence, we create two end‐member crack distributions; one displaying cylindrical transverse isotropy (conventional triaxial) and the other planar transverse isotropy (true triaxial). Under the stress conditions in our experiments we observed an approximately fivefold decrease in the number of AE events between the conventional and true triaxial cases. When taken together, the AE data, the velocities, and the crack density data indicate that the intermediate principal stress suppresses the total number of cracks and restricts their growth to orientations subnormal to the minimum principal stress. However, the size of individual cracks remains essentially constant, controlled by the material grain size. Crack damage is only generated when the differential stress exceeds some threshold value. Cyclic loading experiments show that further damage commences only when that previous maximum differential stress is exceeded, regardless of the mean stress, whether this is achieved by increasing the maximum principal stress or by decreasing the minimum principal stress.
Causality of an extreme harmful algal bloom in Monterey Bay, California, during the 2014–2016 northeast Pacific warm anomaly
Authors: Ryan J. P. , Kudela R. M. , Birch J. M. , Blum M. , Bowers H. A. , Chavez F. P. , Doucette G. J. , Hayashi K. , Marin R. , Mikulski C. M. , Pennington J. T. , Scholin C. A. , Smith G. J. , Woods A. , Zhang Y.
Published: June 2017

An ecologically and economically disruptive harmful algal bloom (HAB) affected much of the northeast Pacific margin in 2015, during a prolonged oceanic warm anomaly. Caused by diatoms of the genus Pseudo‐nitzschia, this HAB produced the highest particulate concentrations of the biotoxin domoic acid (DA) ever recorded in Monterey Bay, California. Bloom inception followed strong upwelling during the spring transition, which introduced nutrients and eliminated the warm anomaly locally. Subsequently, moderate and intermittent upwelling created favorable conditions for growth and accumulation of HAB biomass, which was dominated by a highly toxigenic species, P. australis. High cellular DA concentrations were associated with available nitrogen for DA synthesis coincident with silicate exhaustion. This nutrient influence resulted from two factors: (1) disproportionate depletion of silicate in upwelling source waters during the warm anomaly, the most severe depletion observed in 24 years, and (2) silicate uptake by the dense diatom bloom.
Distribution of Upper Circumpolar Deep Water on the warming continental shelf of the West Antarctic Peninsula
Authors: Couto Nicole , Martinson Douglas G. , Kohut Josh , Schofield Oscar
Published: June 2017

We use autonomous underwater vehicles to characterize the spatial distribution of Upper Circumpolar Deep Water (UCDW) on the continental shelf of the West Antarctic Peninsula (WAP) and present the first near‐synoptic measurements of mesoscale features (eddies) containing UCDW on the WAP. Thirty‐three subsurface eddies with widths on the order of 10 km were detected during four glider deployments. Each eddy contributed an average of 5.8 × 1016 J to the subpycnocline waters, where a cross‐shelf heat flux of 1.37 × 1019 J yr−1 is required to balance the diffusive loss of heat to overlying winter water and to the near‐coastal waters. Approximately two‐thirds of the heat coming onto the shelf diffuses across the pycnocline and one‐third diffuses to the coastal waters; long‐term warming of the subpycnocline waters is a small residual of this balance. Sixty percent of the profiles that contained UCDW were part of a coherent eddy. Between 20% and 53% of the lateral onshore heat flux to the WAP can be attributed to eddies entering Marguerite Trough, a feature in the southern part of the shelf which is known to be an important conduit for UCDW. A northern trough is identified as additional important location for eddy intrusion.
The proteomic profile of a mouse model of proliferative vitreoretinopathy
Authors: Márkus Bernadett , Pató Zsuzsanna , Sarang Zsolt , Albert Réka , Tőzsér József , Petrovski Goran , Csősz Éva
Published: June 2017

Proliferative vitreoretinopathy (PVR) develops as a complication of retinal detachment surgery and represents a devastating condition leading to serious vision loss. A good animal model that permits extensive functional studies and drug testing is crucial in finding better therapeutic modalities for PVR. A previously established mouse model, using dispase injection, was analyzed from the proteomic point of view, examining global protein profile changes by 2D electrophoresis, image analysis and HPLC–tandem mass spectrometry‐based protein identification. The easy applicability of the mouse model was used to study the role of transglutaminase 2 (TG2) in PVR formation by proteomic examination of dispase‐induced TG2 knockout vitreous samples. Our data demonstrate that, despite the altered appearance of crystallin proteins, the lack of TG2 did not prevent the development of PVR.
Characterization of Covalently Bound Anti‐Human Immunoglobulins on Self‐Assembled Monolayer Modified Gold Electrodes
Authors: Holzer Brigitte , Manoli Kyriaki , Ditaranto Nicoletta , Macchia Eleonora , Tiwari Amber , Di Franco Cinzia , Scamarcio Gaetano , Palazzo Gerardo , Torsi Luisa
Published: June 2017

Bioconjugated gold surfaces constitute interesting platforms for biosensing applications. The immobilization of antibodies such as anti‐immunoglobulin G and M (anti‐IgG and anti‐IgM) on gold electrodes via self‐assembled monolayers (SAMs) is here studied as a model system for further immunoassays development. The biolayer is characterized by means of X‐ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM), a dedicated thin‐film transistor (TFT)‐based platform and electrochemical surface plasmon resonance (EC‐SPR). XPS analysis confirms the presence of all the chemical species involved in the fabrication process as well as the covalent attachment of the antibodies with high reproducibility. Visualization of the biolayer topography by AFM shows nanostructures with a thickness consistent with the actual size of the protein, which is also verified by SPR measurements. EC‐SPR allows taking advantage of complementary electrochemical and optical signals during the functionalization steps. Moreover, the functionalization of gold leads to a change in the work function, which is demonstrated in an electrolyte gated thin‐film transistor configuration. Such configuration enables also to evaluate the electrostatic changes occurring on the gate that are connected with the threshold voltage shifts. The data support that functional biomodified gold surfaces can be reproducibly prepared, which is a prerequisite for further biosensor development.
Band‐Tail Recombination in Hybrid Lead Iodide Perovskite
Authors: Wright Adam D. , Milot Rebecca L. , Eperon Giles E. , Snaith Henry J. , Johnston Michael B. , Herz Laura M.
Published: June 2017

Traps limit the photovoltaic efficiency and affect the charge transport of optoelectronic devices based on hybrid lead halide perovskites. Understanding the nature and energy scale of these trap states is therefore crucial for the development and optimization of solar cell and laser technology based on these materials. Here, the low‐temperature photoluminescence of formamidinium lead triiodide (HC(NH2)2PbI3) is investigated. A power‐law time dependence in the emission intensity and an additional low‐energy emission peak that exhibits an anomalous relative Stokes shift are observed. Using a rate‐equation model and a Monte Carlo simulation, it is revealed that both phenomena arise from an exponential trap‐density tail with characteristic energy scale of ≈3 meV. Charge‐carrier recombination from sites deep within the tail is found to cause emission with energy downshifted by up to several tens of meV. Hence, such phenomena may in part be responsible for open‐circuit voltage losses commonly observed in these materials. In this high‐quality hybrid perovskite, trap states thus predominantly comprise a continuum of energetic levels (associated with disorder) rather than discrete trap energy levels (associated, e.g., with elemental vacancies). Hybrid perovskites may therefore be viewed as classic semiconductors whose band‐structure picture is moderated by a modest degree of energetic disorder.
Indium Phosphide‐Based Quantum Dots with Shell‐Enhanced Absorption for Luminescent Down‐Conversion
Authors: Dupont Dorian , Tessier Mickael D. , Smet Philippe F. , Hens Zeger
Published: June 2017

It is shown that admixing small amounts of cadmium into the shell of InP/ZnSe core/shell quantum dots results in an increased absorption of blue light and a limited redshift of the band‐edge emission. These effects reflect the reduced bandgap of (Zn,Cd)Se alloys and their smaller conduction‐band offset with InP. Nevertheless, adjusting the InP core size enables InP/ZnSe and InP/(Zn,Cd)Se quantum dots with identical emission characteristics to be made. Processing both materials into remote phosphor disks, it is demonstrated that the shell‐enhanced absorbance of InP/(Zn,Cd)Se has the double benefit of suppressing self‐absorption and reducing the amount of quantum dots by weight needed to attain a given blue‐to‐red color conversion.
The influence of nano‐silica on properties of sulfonated polystyrene‐lignosulfonate membranes as proton exchange membranes for direct methanol fuel cell application
Authors: Gonggo Siang Tandi , Bundjali Bunbun , Hariyawati Ketut , Arcana I Made
Published: June 2017

The membranes of sulfonated polystyrene, lignosulfonate and nano‐silica (SPS‐LS‐SiO2) that contain different percentages of nano‐silica (1%–5% [w/w]) were prepared and characterized for polymer electrolyte membrane fuel cell (PEMFC). Nano‐silica is an inorganic compound with a surface area of 200 m2/g, and it has a hygroscopic property so that the presence of nano‐silica in membrane can increase properties of membrane. The SPS‐LS‐SO2 membranes were prepared by casting polymer solution and membranes were characterized by functional groups analysis, water uptake, ion exchange capacity (IEC), proton conductivity, methanol permeability, thermal stability, mechanical properties, and surface morphology. The results show the increase of nano‐silica composition in SPS‐LS‐SiO2 membranes, the IEC, water uptake, proton conductivity increase, but a pore size of membrane decreases. On the other hand, it can maintain the mechanical strength of membranes. The SPS‐LS‐SiO2 membranes with nano‐silica composition of 2%–5% (w/w) have the same properties with Nafion®117, especially in proton conductivity at the same treatment and measurement conditions, and its methanol permeability is about 28%–35% smaller than that of Nafion®117 (2.09 × 10−6 cm2/s), so this SPS‐LS‐SiO2 membrane could be used as a polymer electrolyte membrane for direct methanol fuel cell (DMFC) application.
Transferable potentials for phase equilibria. Improved united‐atom description of ethane and ethylene
Authors: Shah Mansi S. , Siepmann J. Ilja , Tsapatsis Michael
Published: June 2017

A more accurate version of the Transferable Potentials for Phase Equilibria—United Atom force field, called TraPPE–UA2, for ethane and ethylene is presented. Very similar molecular volumes, shapes, and self‐ and cross‐interaction strengths of ethane and ethylene make their separation fundamentally interesting and industrially challenging. Separation factors as low as 1.5–3.0 necessitate very accurate molecular models in order to be able to computationally design potential separation processes. Additional force field parameters, namely the distance between the Lennard‐Jones sites for both compounds and partial charges only for ethylene, are introduced in the parameterization and different combining rules for the Lennard‐Jones interaction are considered. In addition to the liquid densities and critical temperature, the training set also includes saturation vapor pressures to yield an accurate two‐site ethane model. Binary ethane/ethylene, CO2/ethylene, and H2O/ethylene vapor–liquid equilibria and H2O/ethylene dimer calculations are used for further optimization of a four‐site ethylene model. © 2017 American Institute of Chemical Engineers AIChE J, 2017
A multi‐method assessment of bone maintenance and loss in anImperialRoman population: Implications for future studies of age‐related bone loss in the past
Authors: Beauchesne Patrick , Agarwal Sabrina C.
Published: June 2017

Objectives

One of the hallmarks of contemporary osteoporosis and bone loss is dramatically higher prevalence of loss and fragility in females post‐menopause. In contrast, bioarchaeological studies of bone loss have found a greater diversity of age‐ and sex‐related patterns of bone loss in past populations. We argue that the differing findings may relate to the fact that most studies use only a single methodology to quantify bone loss and do not account for the heterogeneity and complexity of bone maintenance across the skeleton and over the life course.

Methods

We test the hypothesis that bone mass and maintenance in trabecular bone sites versus cortical bone sites will show differing patterns of age‐related bone loss, with cortical bone sites showing sex difference in bone loss that are similar to contemporary Western populations, and trabecular bone loss at earlier ages. We investigated this hypothesis in the Imperial Roman population of Velia using three methods: radiogrammetry of the second metacarpal (N = 71), bone histology of ribs (N = 70), and computerized tomography of trabecular bone architecture (N = 47). All three methods were used to explore sex and age differences in patterns of bone loss.

Results

The suite of methods utilized reveal differences in the timing of bone loss with age, but all methods found no statistically significant differences in age‐related bone loss.

Discussion

We argue that a multi‐method approach reduces the influence of confounding factors by building a reconstruction of bone turnover over the life cycle that a limited single‐method project cannot provide. The implications of using multiple methods beyond studies of bone loss are also discussed.
3D‐Laser‐Mikro‐Nanodruck: Herausforderungen für die Chemie
Authors: Barner‐Kowollik Christopher , Bastmeyer Martin , Blasco Eva , Delaittre Guillaume , Müller Patrick , Richter Benjamin , Wegener Martin
Published: June 2017

3D‐Druck ist eine leistungsfähige Technik für die maßgeschneiderte Herstellung funktionaler Materialien. Dieser Aufsatz fasst den Stand der Technik im Hinblick auf 3D‐Laser‐Mikro‐ und ‐Nanodruck zusammen und erkundet die chemischen Herausforderungen, die derzeit die volle Etablierung dieser Technologie limitieren: von der Entwicklung fortgeschrittener Materialien für Anwendungen in der Zellbiologie und der Elektronik bis hin zu den bestehenden chemischen Grenzen des schnellen Schreibens mit Auflösungen unterhalb der Beugungsgrenze. Des Weiteren untersuchen wir Möglichkeiten zur Realisierung des direkten Laserschreibens mehrerer Materialien aus einem Photolack heraus, basierend auf wellenlängenselektiven photochemischen Prozessen (λ‐Orthogonalität). Schließlich betrachten wir chemische Prozesse, mit deren Hilfe adaptive 3D‐Strukturen geschrieben werden können, die auf externe Stimuli wie Licht, Wärme, pH‐Wert oder spezifische Moleküle reagieren, sowie fortgeschrittene Konzepte für abbaubare Stützstrukturen.
Grafting and properties of a porous poly(methyl methacrylate) film on a silicon surface by a one‐step dipping method
Authors: Zhang Shanshan , Zhang Junhong , Li Ming , Zhang Wenqi , Cao Liqiang
Published: June 2017

In this study, we prepared a porous poly(methyl methacrylate) (PMMA) film on an Si surface with a novel dipping method. We conducted the process by directly dipping the Si substrate into acidic aqueous media in a simple flask at 10 °C. First, 4‐nitrobenzene diazonium tetrafluoroborate (NBD) was spontaneously reduced at the Si surface. Then, the aryl radicals during the reduction of NBD were directly grafted onto the Si surface. Meanwhile, the aryl radicals initiated the polymerization of methyl methacrylate (MMA) monomers, and the radical‐terminated PMMA chains formed in the solution were grafted onto the Si surface. Because water was a poor solvent for MMA, the grafted PMMA chains easily aggregated together, and this resulted in a porous polymer film. The porosity of the film depended on the grafting time and the MMA concentration. Furthermore, the permittivity of the porous PMMA film was relatively low, and its dielectric dissipation factor was extremely small. Therefore, its excellent dielectric properties should allow the porous film to have many applications in industry. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44930.
Personal‐discount sensitivity prediction for mobile coupon conversion optimization
Authors: Greenstein‐Messica Asnat , Rokach Lior , Shabtai Asaf
Published: June 2017

The high adoption of smart mobile devices among consumers provides an opportunity for e‐commerce retailers to increase their sales by recommending consumers with real time, personalized coupons that take into account the specific contextual situation of the consumer. Although context‐aware recommender systems (CARS) have been widely analyzed, personalized pricing or discount optimization in recommender systems to improve recommendations' accuracy and commercial KPIs has hardly been researched. This article studies how to model user‐item personalized discount sensitivity and incorporate it into a real time contextual recommender system in such a way that it can be integrated into a commercial service. We propose a novel approach for modeling context‐aware user‐item personalized discount sensitivity in a sparse data scenario and present a new CARS algorithm that combines coclustering and random forest classification (CBRF) to incorporate the personalized discount sensitivity. We conducted an experimental study with real consumers and mobile discount coupons to evaluate our solution. We compared the CBRF algorithm to the widely used context‐aware matrix factorization (CAMF) algorithm. The experimental results suggest that incorporating personalized discount sensitivity significantly improves the consumption prediction accuracy and that the suggested CBRF algorithm provides better prediction results for this use case.
Coupling Reactions of Alkynyl Indoles and CO2 by Bicyclic Guanidine: Origin of Catalytic Activity?
Authors: Kee Choon Wee , Peh Kai Qi Elizabeth , Wong Ming Wah
Published: June 2017

Density functional theory calculations were used to investigate the three possible modes of activation for the coupling of CO2 with alkynyl indoles in the presence of a guanidine base. The first of these mechanisms, involving electrophilic activation, was originally proposed by Skrydstrup et al. (Angew. Chem. Int. Ed. 2015, 54, 6682). The second mechanism involves the nucleophilic activation of CO2. Both of these electrophilic and nucleophilic activation processes involve the formation of a guanidine‐CO2 zwitterion adduct. We have proposed a third mechanism involving the bifunctional activation of the bicyclic guanidine catalyst, allowing for the simultaneous activation of the indole and CO2 by the catalyst. We demonstrated that a second molecule of catalyst is required to facilitate the final cyclization step. Based on the calculated turnover frequencies, our newly proposed bifunctional activation mechanism is the most plausible pathway for this reaction under these experimental conditions. Furthermore, we have shown that this bifunctional mode of activation is consistent with the experimental results. Thus, this guanidine‐catalyzed reaction favors a specific‐base catalyzed mechanism rather than the CO2 activation mechanism. We therefore believe that this bifunctional mechanism for the activation of bicyclic guanidine is typical of most CO2 coupling reactions.
Interpolatory Model Order Reduction Method for Second Order Systems
Authors: Qiu Zhi‐Yong , Jiang Yao‐Lin , Yuan Jia‐Wei
Published: June 2017

In this paper, we propose a structure‐preserving model reduction method for second‐order systems based on H2 optimal interpolation. In the iterative process of the proposed method, an algorithm is presented for selecting interpolation points in order to control the dimension of the reduced system. Result about error analysis of the interpolation points selection algorithm is obtained and the property of the new model reduction method is also given. Finally, three numerical examples are performed to illustrate the effectiveness of the new method.
Paramecium caudatum as a source of nitric oxide: Chemiluminescent detection based on Bluestar® Forensic reagent connected with microdialysis
Authors: Bancirova Martina
Published: June 2017

Nitric oxide (NO) chemistry inside the body is the most interesting part of its behavior. NO is involved in controlling blood pressure, and in transmitting nerve signals and a variety of other signaling processes. To explain the behavior of NO, it is necessary to determine its immediate concentration or observe time‐dependent changes in its concentration. In Paramecium caudatum, NO is formed by calcium‐dependent nNOS (NOS1)‐like protein, which is distributed in the cytoplasm. NO synthesis affects the ciliary beat and consequent motility of cells and blocked NO synthesis reduces the ability of cells to move. The possibility of online coupling of microdialysis (of P. caudatum solution) with NO detection is demonstrated. Direct measurement of NO is carried out using dilute Bluestar® Forensic reagent (luminol–H2O2 system; one of the NO detections is based upon the chemiluminescent reaction between NO and the luminol–H2O2 system, which is specifically reactive to NO). The effect of a nitric oxide synthase inhibitor, NG‐nitro‐l‐arginine methyl ester was observed. NO production was inhibited and the movement of P. caudatum was restricted. These effects were time dependent and after a specific time were reversed.
A combined spectroscopic and TDDFT investigation of the solute‐solvent interactions of two coumarin derivatives
Authors: Shivraj  , Thomas Anup , Siddlingeshwar B. , Patil Sharanabasappa B.
Published: June 2017

The UV/Vis absorption and fluorescence characteristics of 3‐cyano‐7‐hydroxycoumarin [CHC] and 7‐amino‐4‐methyl‐3‐coumarinylacetic acid [AMCA‐H] were studied at room temperature in several neat solvents and binary solvent mixtures of 1,4‐dioxane/acetonitrile. The effects of solvent on the spectral properties are analyzed using single and multi‐parameter solvent polarity scales. Both general solute/solvent interactions and hydrogen bond interactions are operative in these systems. The solvation of CHC and AMCA‐H dyes in 1,4‐dioxane/acetonitrile solvent mixtures has been studied. The solutes CHC and AMCA‐H are preferentially solvated by acetonitrile and a synergistic effect is observed for both molecules in dioxane/acetonitrile solvent mixtures. In addition, using the solvatochromic method the ground‐ and the excited‐state dipole moments of both the dyes were calculated. The ground‐ and excited‐state dipole moments, absorption and emission maxima and HOMO–LUMO gap were also estimated theoretically using B3LYP/6–311+ G (d,p) level of theory in the gaseous phase, dioxane and acetonitrile solvents. Furthermore, changes in dipole moment values were also calculated using the variation of Stokes shift with the molecular–microscopic empirical solvent polarity parameter (
). The observed excited‐state dipole moments are larger than their ground‐state counterparts, indicating a substantial redistribution of the electron densities in a more dipolar excited state for both coumarins investigated.
Effect of cooling rate on the microstructure and luminescence properties of Sr2MgSi2O7:Eu2+,Dy3+ materials
Authors: Hai Ou , Jiang Hongyi , Zhang Qiang , Ren Qiang , Wu Xiulan , Hu Jieliang
Published: June 2017

Sr2MgSi2O7:Eu2+,Dy3+ long afterglow materials were prepared by a high‐temperature solid‐state reaction method with different cooling rates. The cooling rate had a slight effect on X‐ray diffraction patterns and photoluminescence performance, but significantly modified the grain boundaries and long afterglow properties of the Sr2MgSi2O7:Eu2+,Dy3+ materials. When the cooling rate was 1°C/min, grains remained intact with clear grain boundaries. As the cooling rate increased from 1°C/min to 5°C/min, some grain boundaries became indistinguishable. The afterglow properties were optimized, presenting best performance at the cooling rate of 3°C/min. The trap state was investigated and illustrated through thermoluminescence curves. The depths of the traps of all the samples were unchanged, whereas densities changed to a large extent, leading to different afterglow properties. The retrapping process is discussed based on the afterglow curves.
The usability of WeChat as a mobile and interactive medium in student‐centered medical teaching
Authors: Wang Juan , Gao Furong , Li Jiao , Zhang Jieping , Li Siguang , Xu Guo‐tong , Xu Lei , Chen Jianjun , Lu Lixia
Published: June 2017

Biochemistry and cellular biology courses for medical students at Tongji University include the assessment that provides students with feedback to enhance their learning, which is a type of formative assessment. However, frequent instant feedback and guidance for students is often absent or inconsistently included in the teaching process. WeChat, the most popular Chinese social media, was introduced in biochemistry and cellular biology course. A WeChat official account (OA) was set up as an instant interactive platform. Over a period of two semesters, OA sent 73 push notifications. The components included course notices, preclass thought questions, after‐class study materials, answer questions and feedback, simulation exercises, teacher–student interaction, and research progress relevant to the course. WeChat OA served as an active‐learning teaching tool, provided more frequent feedback and guidance to students, and facilitated better student‐centered communication in the teaching process. Using the WeChat OA in medical teaching emphasized interactive, interoperable, effective, engaging, adaptable, and more participatory teaching styles. As a new platform, WeChat OA was free, Internet‐reliant, and easily managed. Using this new medium as a communication tool accelerated further advancement of instant feedback and improvement in teaching activities. Notifications and interactive feedback via the mobile social medium WeChat OA anytime and anywhere facilitated a student‐centered teaching mode. Use of WeChat OA significantly increased the proportion of students interactively participating and resulted in a high degree of student satisfaction. © 2017 by The International Union of Biochemistry and Molecular Biology, 45(5):421–425, 2017.
Self‐Reported Current Practices in Child Forensic Interviewing: Training, Tools, and Pre‐Interview Preparation
Authors: Rivard Jillian Rowback , Schreiber Compo Nadja
Published: June 2017

In child sexual abuse investigations, forensic interviewers within the Child Advocacy Center (CAC) model serve as neutral fact‐finders for a team of professionals tasked with investigating and intervening in cases of alleged child sexual abuse. Although empirical evidence has led to the development of best‐practice techniques and protocols, there is currently no universally adopted protocol in the field. The present research gathered detailed information from a national sample of real‐world child forensic interviewers about their training and current practices, with a specific focus on assessing the information interviewers typically review prior to conducting child forensic interviews. Most notably, the survey revealed a lack of uniformity in interviewing protocols adopted and pre‐interview preparation practices. Although rare, some interviewers reported using an allegation‐blind interviewing approach, highlighting the need for future research on this and other under‐studied techniques. Copyright © 2017 John Wiley & Sons, Ltd.
An educational software for teaching database normalization
Authors: Piza‐Dávila Hugo I. , Gutiérrez‐Preciado Luis F. , Ortega‐Guzmán Víctor H.
Published: June 2017

Database normalization is a key process for designing databases. However, it is one of the most complex topics for students in IT undergraduate programs. This work proposes a new software tool that supports students in the process of normalization. This learning tool allows the students to see step by step how to carry out each normal form up to the 3NF. This tool is based on data analysis of the input table as it is explained in class, and not on analyzing the scheme or initial dependencies defined by business rules. Thus, novel algorithms were developed to process the input table (user‐defined) as well as the tables created during the normalization process. The software was tested in two Database courses, obtaining an important increase in the performance of students who used the tool.
Cervical cancer screening in a low‐resource setting: a pilot study on an HPV‐based screen‐and‐treat approach
Authors: Kunckler Margot , Schumacher Fanny , Kenfack Bruno , Catarino Rosa , Viviano Manuela , Tincho Eveline , Tebeu Pierre‐Marie , Temogne Liliane , Vassilakos Pierre , Petignat Patrick
Published: June 2017

Cervical cancer (CC) is the leading cause of cancer‐related death among women in sub‐Saharan Africa, primarily because of limited access to effective screening and preventive treatment. Our aim was to assess the feasibility of a human papillomavirus (HPV)‐based CC screen‐and‐treat approach in a low‐resource context. We recruited 1012 women aged 30–49 years through a CC screening campaign conducted in the District Hospital of Dschang, Cameroon. Participants performed HPV self‐sampling, which was tested for high‐risk HPV (HR‐HPV) DNA using the point‐of‐care Xpert HPV assay. All HPV‐positive women were invited for visual inspection with acetic acid and Lugol's iodine (VIA/VILI) to exclude CC or enable triage. A cervical sample for histological analysis was also collected. Women positive for HPV 16/18/45 and for other HR‐HPV with pathological VIA/VILI were selected to undergo treatment with thermocoagulation. The HPV prevalence in the study population was 18.5% (n = 187); of these cases, 20 (10.6%), 42 (22.3%) and 140 (74.9%) were positive for HPV16, HPV18/45 and other HR‐HPV types, respectively. Overall, 107/185 (57.8%) VIA/VILI examinations were classified as pathological and 78 (42.2%) as normal. Women positive for HPV16/18/45 were 4.2 times more likely to harbor cervical intraepithelial neoplasia grade 2 or worse (CIN2+) than those with other HPV types. The specificity of HPV 16/18/45 genotypes for detection of high‐grade lesions among HR‐HPV positive women was higher than that of VIA/VILI in all age groups. The sensitivity and specificity of VIA/VILI in detecting CIN2+ among HPV positive women were 80% and 44%, respectively. Overall, 110/121 screen‐positive women (90.9%) were eligible for, and were treated with, thermocoagulation. An HPV‐based screen‐and‐treat approach is feasible in a low‐resource context and may contribute to improving the effectiveness of CC prevention programs. Immediate thermocoagulation treatment for women who are HPV16‐ and/or HPV18/45‐positive is a practical approach for the treatment of CIN2+. The combination of HPV‐testing and VIA/VILI for CC screening might reduce overtreatment.
Traceless Cleavage of Protein–Biotin Conjugates under Biologically Compatible Conditions
Authors: Cowell Joseph , Buck Matthew , Essa Ali H. , Clarke Rebecca , Vollmer Waldemar , Vollmer Daniela , Hilkens Catharien M. , Isaacs John D. , Hall Michael J. , Gray Joe
Published: June 2017

Biotinylation of amines is widely used to conjugate biomolecules, but either the resulting label is non‐removable or its removal leaves a tag on the molecule of interest, thus affecting downstream processes. We present here a set of reagents (RevAmines) that allow traceless, reversible biotinylation under biologically compatible, mild conditions. Release following avidin‐based capture is achieved through the cleavage of a (2‐(alkylsulfonyl)ethyl) carbamate linker under mild conditions (200 mm ammonium bicarbonate, pH 8, 16–24 h, room temperature) that regenerates the unmodified amine. The capture and release of biotinylated proteins and peptides from neutravidin, fluorescent labelling through reversible biotinylation at the cell surface and the selective enrichment of proteins from bacterial periplasm are demonstrated. The tags are easily prepared, stable and offer the potential for future application in proteomics, activity‐based protein profiling, affinity chromatography and bio‐molecule tagging and purification.
Community College Pathways to the STEM Workforce: What Are They, Who Follows Them, and How?
Authors: Van Noy Michelle , Zeidenberg Matthew
Published: June 2017

This chapter describes community college STEM programs, including transfer‐oriented science and engineering (S&E) programs and workforce‐oriented technician programs, and the characteristics and educational pathways of the students who enroll in these programs.