bluuebunny/crossref_metadata_2025_split huggingface dataset:
Hydrophobic Shielding of Outer Surface: Enhancing the Chemical Stability of Metal–Organic Polyhedra
Authors: Mollick Samraj , Mukherjee Soumya , Kim Dongwook , Qiao Zhiwei , Desai Aamod V. , Saha Rajat , More Yogeshwar D. , Jiang Jianwen , Lah Myoung Soo , Ghosh Sujit K. 
Published: December 2018

AbstractMetal–organic polyhedra (MOP) are a promising class of crystalline porous materials with multifarious potential applications. Although MOPs and metal–organic frameworks (MOFs) have similar potential in terms of their intrinsic porosities and physicochemical properties, the exploitation of carboxylate MOPs is still rudimentary because of the lack of systematic development addressing their chemical stability. Herein we describe the fabrication of chemically robust carboxylate MOPs via outer‐surface functionalization as an a priori methodology, to stabilize those MOPs system where metal–ligand bond is not so strong. Fine‐tuning of hydrophobic shielding is key to attaining chemical inertness with retention of the framework integrity over a wide range of pH values, in strong acidic conditions, and in oxidizing and reducing media. These results are further corroborated by molecular modelling studies. Owing to the unprecedented transition from instability to a chemically ultra‐stable regime using a rapid ambient‐temperature gram‐scale synthesis (within seconds), a prototype strategy towards chemically stable MOPs is reported.
Survey on Passivity Based Control of Induction Machine
Authors: Becherif Mohamed 
Published: December 2018

AbstractInduction machines (IM) constitute a theoretically interesting and practically important class of nonlinear systems. They are frequently used as wind generators for their power/cost ratio. They are described by a fifth‐order nonlinear differential equation with two inputs and only three state variables available for measurement. The control task is further complicated by the fact that IM are subject to unknown (load) disturbances and the parameters can be of great uncertainty. One is then faced with the challenging problem of controlling a highly nonlinear system, with unknown time‐varying parameters, where the regulated output, besides being unmeasurable, is perturbed by an unknown additive signal. Passivity‐based control (PBC) is a well‐established structure‐preserving design methodology which has shown to be very powerful to design robust controllers for physical systems described by Euler‐Lagrange equations of motion. PBCs provide a natural procedure to "shape" the potential energy yielding controllers with a clear physical interpretation in terms of interconnection of the system with its environment and are robust vis á vis to unmodeled dissipative effects. One recent approach of PBC is the Interconnection and Damping Assignment Passivity‐Based Control (IDA‐PBC) which is a very useful technique to control nonlinear systems assigning a desired (Port‐Controlled Hamiltonian) structure to the closed‐loop. The aim of this paper is to give a survey on different PBC of IM. The originality of this work is that the author proves that the well known field oriented control of IM is a particular case of the IDA‐PBC with disturbance.
Clustering the occupant behavior in residential buildings: a method comparison
Authors: Carbonare Nicolás , Pflug Thibault , Wagner Andreas 
Published: December 2018

AbstractThe aim of this paper is to investigate possible patterns of the occupant behavior in residential buildings. Measurements were taken in multi‐family buildings where several occupant‐related variables were recorded. We chose and compared two different clustering methods: whole time series and features clustering (k‐means algorithm). The mentioned methods were performed selecting two variables (window opening and indoor temperature) and tested with supervised learning methods. Results suggest that features clustering can perform better than whole time series. The representation of the occupant behavior through features is meant to be applied in future work regarding the optimization of control strategies in ventilation systems.
Integration von Verbrauchernetzwerken in dynamische Gebäudeenergiemodelle
Authors: Paepcke Anne , Nicolai Andreas , Weiß Dirk 
Published: December 2018

AbstractWärmeübertragung und Wärmeverlustmechanismen von Anlagenkomponenten und ihrer Verteilnetzwerke haben entscheidenden Einfluss auf den Energieverbrauch und die thermische Behaglichkeit eines Gebäudes. Um diese Mechanismen in der befriedigenden Detailtiefe abbilden zu können, müssen geometrische Informationen berücksichtigt werden: die Rohr‐ oder Kanalverlegung im Gebäude, der Schichtaufbau von Rohrwänden und die Position von Verbraucherkomponenten im Raum oder den Raumumgrenzungsflächen. Der Artikel konzentriert sich auf die Integration solcher Modelle in eine dynamische Simulation mit hohem geometrischem Detailgrad. Die Bilanzgleichungen führen dabei auf große schwachbesetzte Systeme, und eine numerisch akkurate und effiziente Lösung der Bilanzgleichungen und der algebraischen Kopplungsgleichungen ist verpflichtend. Geeignete Algorithmen und ihre Umsetzung werden vorgestellt.
BIM‐unterstützte Erstellung interaktiver, immersiver VR‐Szenarien am Beispiel der Brandbekämpfung
Authors: Bittner Timo , Eller Christian , Dombois Marcus , Rüppel Uwe 
Published: December 2018

AbstractIn diesem Beitrag wird die Nutzung von digitalen Gebäudemodellen im Rahmen von Serious Games und Virtual Reality (VR) untersucht. Ziel ist es, unter Verwendung offener Schnittstellen und Formate wie dem Standard der Industry Foundation Classes (IFC) ein interaktives, immersives und zugleich adaptives Szenario zu schaffen, welches es dem Nutzer ermöglicht, verschiedenste Aspekte in der virtuellen Umgebung zu erleben und zu üben. Der Fokus liegt auf der schnellen und unkomplizierten Erstellung einer solchen Anwendung, wobei der Prozess durch BIM‐Methoden unterstützt wird. Das Vorgehen wird anschließend anhand eines Szenarios aus dem Bereich des Digital Civil Safety Engineering validiert.
Special education use in elementary school by children with nonsyndromic orofacial clefts
Authors: Watkins Stephanie E. , Allori Alexander C. , Meyer Robert E. , Aylsworth Arthur S. , Marcus Jeffrey R. , Strauss Ronald P. 
Published: December 2018

AbstractBackgroundChildren with nonsyndromic orofacial clefts (NS OFCs) may require exceptional children's (EC) services for academic delays. We examined EC service use of children with and without NS OFCs in NC in elementary school.MethodsWe included 559 children with NS OFCs and 6,822 children without birth defects who had NC educational records. We estimated prevalence ratios, trends in enrollment, and characteristics of eligibility classification using descriptive statistics and logistic regression by cleft subtype and race/ethnicity. We estimated the odds of third grade retention by EC enrollment using logistic regression with inverse probability of treatment weights.ResultsChildren with NS OFCs were 3.02 (95% CI: 2.50, 3.64) times as likely to receive third grade special education (SE) services compared to unaffected peers. The prevalence odds was highest among children with CL+P (OR: 4.61, 95% CI: 3.49, 6.09) declining by 54% by fifth grade. The prevalence odds of SE for white children was approximately 1.50 times that for African American children in fourth and fifth grades. Approximately 33% of children with NS OFCs within each racial/ethnic group received SE in third grade. African American children were twice as likely to receive services under specific learning disability. Children with NS OFCs receiving EC services were 44% (OR: 0.56; 95% CI: 0.13, 2.38) less likely to be retained in third grade compared to children with NS OFCs who were not receiving services.ConclusionsChildren with NS OFCs are more likely to receive SE services in elementary school compared to their unaffected peers. The eligibility category differed by racial/ethnic group.
Construction of efficient bioelectrochemical devices: Improved electricity production from cyanobacteria (Leptolyngbia sp.) based on π‐conjugated conducting polymer/gold nanoparticle composite interfaces
Authors: Cevik Emre , Buyukharman Mustafa , Yildiz Huseyin Bekir 
Published: December 2018

AbstractIn this study, gold electrodes (GE) were coated with conducting polymers to obtain a high photocurrent using cyanobacteria from a novel bioelectrochemical fuel cell. For this purpose, 4‐(4H‐ditiheno[3,2‐b:2',3'‐d]pyrol‐4‐yl) aniline and 5‐(4H‐dithieno[3,2‐b:2',3'‐d]pyrol‐4‐yl) napthtalane‐1‐amine monomers were coated on GE by performing an electropolymerization process. After that, gold nanoparticles (AuNP) were specifically modified by 2‐mercaptoethane sulfonic acid and p‐aminothiophenol to attach to the electrode surface. The conducting polymers GE coat was modified with functionalized AuNP using a cross‐linker. The resulting electrode structures were characterized by cyclic voltammetry and chronoamperometry under on‐off illumination using a fiber optic light source. Cyanobacteria Leptolyngbia sp. was added to the GE/conducting polymer/AuNP electrode surface and stabilized by using a cellulose membrane. During the illumination, water was oxidized by the photosynthesis, and oxygen was released. The released oxygen was electrocatalytically reduced at the cathode surface and a 25 nA/cm
2 photocurrent was observed in GE/
Leptolyngbia sp. After the electrode modifications, a significant improvement in the photocurrent up to 630 nA/cm
2 was achieved.
Modeling the activity burst in the initial phase of cellulose hydrolysis by the processive cellobiohydrolase Cel7A
Authors: Petrášek Zdeneˇk , Eibinger Manuel , Nidetzky Bernd 
Published: December 2018

AbstractThe hydrolysis of cellulose by processive cellulases, such as exocellulase TrCel7A from Trichoderma reesei, is typically characterized by an initial burst of high activity followed by a slowdown, often leading to incomplete hydrolysis of the substrate. The origins of these limitations to cellulose hydrolysis are not yet fully understood. Here, we propose a new model for the initial phase of cellulose hydrolysis by processive cellulases, incorporating a bound but inactive enzyme state. The model, based on ordinary differential equations, accurately reproduces the activity burst and the subsequent slowdown of the cellulose hydrolysis and describes the experimental data equally well or better than the previously suggested model. We also derive steady‐state expressions that can be used to describe the pseudo‐steady state reached after the initial activity burst. Importantly, we show that the new model predicts the existence of an optimal enzyme‐substrate affinity at which the pseudo‐steady state hydrolysis rate is maximized. The model further allows the calculation of glucose production rate from the first cut in the processive run and reproduces the second activity burst commonly observed upon new enzyme addition. These results are expected to be applicable also to other processive enzymes.
Simultaneous quantitation of metformin and dapagliflozin in human plasma by LC–MS/MS: Application to a pharmacokinetic study
Authors: Shah Priyanka A. , Shrivastav Pranav S. , Shah Jaivik V. , George Archana 
Published: December 2018

AbstractA single LC–MS/MS assay has been developed and validated for the simultaneous determination of metformin and dapagliflozin in human plasma using ion‐pair solid‐phase extraction. Chromatographic separation of the analytes and their internal standards was carried out on a reversed‐phase ACE 5CN (150 × 4.6 mm, 5 μm) column using acetonitrile–15 mm ammonium acetate, pH 4.5 (70:30, v/v) as the mobile phase. To achieve higher sensitivity and selectivity for the analytes, mass spectrometric analysis was performed using a polarity switching approach. Ion transitions studied using multiple reaction monitoring mode were m/z 130.1 [M + H]+/60.1 for metformin and m/z 467.1 [M + CH3COO]−/329.1 for dapagliflozin in the positive and negative modes, respectively. The linear calibration range of the assay was established from 1.00 to 2000 ng/mL for metformin and from 0.10 to 200 ng/mL for dapagliflozin to achieve a better assessment of the pharmacokinetics of the drugs. The limit of detection and limit of quantitation for the analytes were 0.39 and 1.0 ng/mL for metformin and 0.03 and 0.1 ng/mL for dapagliflozin, respectively. There was no interference of plasma matrix obtained from different sources, including hemolyzed and lipemic plasma. The method was successfully applied to study the effect of food on the pharmacokinetics of metformin and dapagliflozin in healthy subjects.
Construction of immune‐related risk signature for renal papillary cell carcinoma
Authors: Wang Zhongyu , Song Qian , Yang Zuyi , Chen Jianing , Shang Jun , Ju Wen 
Published: December 2018

AbstractThe kidney renal papillary cell carcinoma (KIRP) is a relatively rare type of kidney cancer. There has been no investigation to find a robust signature to predict the survival outcome of KIRP patients in the aspect of tumor immunology. In this study, 285 KIRP samples from The Cancer Genome Atlas (TCGA) were randomly divided into training and testing set. A total of 1534 immune‐related genes from The Immunology Database and Analysis Portal (ImmPort) were used as candidates to construct the signature. Using univariate Cox analysis, we evaluated the relationship between overall survival and immune‐related genes expression and found 272 immune‐related genes with predicting prognostic ability. In order to construct an efficient predictive model, the Cox proportional hazards model with an elastic‐net penalty was used and identified 23 groups after 1000 iterations. As a result, 15‐genes model showing more stable than other gene groups was chosen to construct our immune‐related risk signature. In line with our expectations, the signature can independently predict the survival outcome of KIRP patients. Patients with high‐immune risk were found correlated with advanced stage. We also found that the high‐immune risk patients with higher PBRM1 and SETD2 mutations, increasing chromosomal instability, together with the gene set enrichment analysis (GSEA) results showing intensive connection of our signature with immune pathways. In conclusion, our study constructs a robust 15‐gene signature for predicting KIRP patients’ survival outcome on the basis of tumor immune environment and may provide possible relationship between prognosis and immune‐related biological function.
Consumer affects when making undesirable purchases to meet the minimum purchase requirement: Decision‐related variables as moderators
Authors: Ku Hsuan‐Hsuan 
Published: December 2018

AbstractOne common type of sales promotion involves a minimum purchase requirement (MinPR), where customers must purchase at least a minimum number of products to enjoy a discount. In the process of making purchases to qualify for the discount, consumers may find their first‐choice product options or have to settle for products that they did not originally prefer. Three between‐subjects experiments examines whether, in various decision situations, counterfactual thinking (CFT) might bias individuals' emotions in response to desirable versus undesirable purchases. Study 1 demonstrates that participants who made undesirable purchases to meet the MinPR felt less satisfied with the purchase outcome precipitated by upward CFT, whereas downward CFT led to feelings of pleasure in participants who could find their first‐choice product options. Studies 2 and 3 find that counterfactual emotions of undesirable purchases were more pronounced when participants experienced a difficult decision process because of a narrow promotion scope or when time pressure, manipulated in terms of explicit deadlines, is heavy rather than light, respectively. On the contrary, participants' responses to desirable purchases did not vary as a function of decision difficulty or time pressure.
Diffusion Profiling of Therapeutic Proteins by Using Solution NMR Spectroscopy
Authors: Falk Bradley T. , Liang Yingkai , McCoy Mark A. 
Published: December 2018

AbstractCharacterizing changes to structure and behavior is an important aspect of therapeutic protein development. NMR spectroscopy is well suited to study interactions and higher‐order structure that could impact biological function and safety. We used NMR diffusion methods to describe the overall behavior of proteins in solution by defining a “diffusion profile” that captures the complexities in diffusion behavior. Diffusion profiles offer a simple means to interpret protein solution behavior as a distribution of sizes and association states. As a characterization method, diffusion profiling is well suited to complement and augment traditional biophysical and NMR methods to probe the solution behavior of therapeutic proteins.
Results of the combined U.S. multicenter postapproval study of the Nit‐Occlud PDA device for percutaneous closure of patent ductus arteriosus
Authors: Kobayashi Daisuke , Salem Morris M. , Forbes Thomas J. , Gordon Brent M. , Soriano Brian D. , Dimas Vivian , Goldstein Bryan H. , Owada Carl , Javois Alexander , Bass John , Jones Thomas K. , Berman Darren P. , Gillespie Matthew J. , Moore John W. , Levi Daniel S. 
Published: December 2018

AbstractObjectivesTo report the results of the Nit‐Occlud PDA prospective postapproval study (PAS) along with a comparison to the results of the pivotal and continued access trials.BackgroundThe Nit‐Occlud PDA (PFM Medical, Cologne, Germany), a nitinol coil patent ductus arteriosus (PDA) occluder, was approved by the Food and Drug Administration in 2013.MethodsThe PAS enrolled a total of 184 subjects greater than 6 months of age, weighing at least 5 kg, with PDAs less than 4 mm by angiography at 11 centers. Patients were followed prospectively at 2 months, 12 months, and 24 months postprocedure. These outcomes were compared to the 357 subjects enrolled in the pivotal and continued access protocols. Efficacy and safety data were reported.ResultsAmong 184 subjects enrolled for the PAS between 2014 and 2017, 180 (97.8%) had successful device implantation. After 12 months, 98.7% (150/152) had trivial or no residual shunt by echocardiography and two subjects had only small residual shunts. There were three device embolizations that were all retrieved by snare without clinical consequence. Together with the pivotal and continued access study, 97.4% (449/461) had complete echocardiographic closure at 12 months in 541 enrolled subjects. The composite success was 94.4%. There were no mortalities and no serious device‐related adverse events.ConclusionsThe Nit‐Occlud PDA is a safe and effective device for closure of a small to moderate sized PDA. There were no serious device‐related adverse events in a large cohort of three clinical trials.
Angiolymphoid hyperplasia with eosinophilia with clinical pictures of keratoacanthoma: A rare case report
Authors: Santosa Calvin , Wardhana Made , Saputra Herman 
Published: December 2018

Key Clinical MessageAngiolymphoid Hyperplasia with Eosinophilia (ALHE) is a benign tumor of the skin which may mimic other benign or malignant lesion of the skin. Practitioners should consider this diagnosis as a differential when encounter such lesion as papule or nodule on the face and scalp area.
Nitrogen, Sulfur Co‐doped Carbon Materials Derived from the Leaf, Stem and Root of Amaranth as Metal‐free Catalysts for Selective Oxidation of Aromatic Hydrocarbons
Authors: Sun Yongbin , Liu Kun , Hou Chao , Liu Jian , Huang Runkun , Cao Changyan , Song Weiguo 
Published: December 2018

AbstractDevelopment of porous heteroatom‐doped carbon materials from plant biomass is of great significance for various applications in environment, energy conversion and catalysis process. However, the different natures of carbon materials derived from the leaf, stem and root of the same plant biomass are rarely reported. Herein, we synthesized porous carbon materials from the leaf, stem and root of amaranth respectively by pyrolysis without any activation treatment. Detailed characterizations indicated that these three carbon materials all had nitrogen, sulfur doped atoms and similar degree of graphitization, but showed distinct differences in the pore structures and surface compositions. We suggested these differences were contributed by the different contents of ashes, vascular bundles and proteins in different parts. When used as metal‐free carbocatalysts for the oxidation of aromatic hydrocarbons, stem‐derived carbon (SDC‐A) exhibited the highest catalytic performance due to its high surface area, profitable pore volume and rich doped heteroatoms. Moreover, the carbocatalysts derived from the leaf, stem and root of pumpkin vine and coriander showed similar activity differences in oxidation of aromatic alkanes, implying the present results have a certain extent generality, and provide a new guidance for preparing carbon materials from plant biomass.
Computational chemical analysis of Ru(II)‐Pheox–catalyzed highly enantioselective intramolecular cyclopropanation reactions
Authors: Nakagawa Yoko , Nakayama Naofumi , Goto Hitoshi , Fujisawa Ikuhide , Chanthamath Soda , Shibatomi Kazutaka , Iwasa Seiji 
Published: December 2018

AbstractComputational chemical analysis of Ru(II)‐Pheox–catalyzed highly enantioselective intramolecular cyclopropanation reactions was performed using density functional theory (DFT). In this study, cyclopropane ring–fused γ‐lactones, which are 5.8 kcal/mol more stable than the corresponding minor enantiomer, are obtained as the major product. The results of the calculations suggest that the enantioselectivity of the Ru(II)‐Pheox–catalyzed intramolecular cyclopropanation reaction is affected by the energy differences between the starting structures 5l and 5i. The reaction pathway was found to be a stepwise mechanism that proceeds through the formation of a metallacyclobutane intermediate. This is the first example of a computational chemical analysis of enantioselective control in an intramolecular carbene‐transfer reaction using C1‐symmetric catalysts.
Experimental methods in chemical engineering: Contact angles
Authors: Bruel Charles , Queffeulou Salomé , Darlow Theron , Virgilio Nick , Tavares Jason R. , Patience Gregory S. 
Published: December 2018

AbstractThe contact angle (CA) formed at equilibrium at the three‐phase line of contact between a liquid, a solid, and a gas may be expressed as a function of both the interfacial and surface tensions. Young first derived this thermodynamic relationship in 1805. In practice, multiple CA values are observed due to kinetic phenomena induced by evaporation, vapour adsorption, or swelling, and thermodynamic ones induced by roughness and surface chemical heterogeneities, even at molecular‐scale. These non‐ideal conditions result into an hysteresis, i.e., a difference between wetting and dewetting behaviours, and Young's equation rarely applies. Three measuring methods stand out for their applicability and reliability. In the sessile drop method, a syringe deposits a liquid drop on a flat surface and the contact angle is measured through optical means based on the drop shape. In the Wilhelmy balance method, the force required to immerse a solid plate in a bath of liquid is indirectly related to the contact angle. In the Washburn capillary rise method, the contact angle is derived from the rate at which a liquid rises by capillarity through a packed bed of powder. Employing probe liquids of various polarities, the free surface energy of the solid may be estimated. Over the last two years, 8600 published articles mentioned “contact angle” in their topic. Their main focus was either to develop the fundamental understanding of wetting science, or to assess the success of surface modification methods for the production of novel surfaces, composites, and membranes with enhanced wetting, adhesive, and filtration properties.