bluuebunny/crossref_metadata_2025 huggingface dataset:
A Stochastic Frontier Analysis Approach for Estimating Energy Demand and Efficiency in the Transport Sector of Latin America and the Caribbean
Authors: Llorca Manuel , Banos Jose , Jose Somoza , Arbues Pelayo
Published: November 2016

In this paper, a stochastic frontier analysis approach is applied to estimate energy demand functions in the transport sector. This approach allows us to obtain energy efficiency measures at country level that are a robust alternative to the energy intensity indicators commonly used for international comparisons. A transitive multilateral price index is constructed for aggregating the diverse energy components employed in the sector. Due to the likely unobserved heterogeneity among countries, the use of a random parameters model is proposed to accommodate these differences and to obtain different income and price elasticities per country. The estimated model is compared with alternative approaches of addressing this issue such as latent class, true fixed effects or true random effects models. This study is the first to use a random parameters stochastic frontier approach in the estimation of energy demand functions. The proposed procedure is applied to Latin America and the Caribbean, where the transport sector represents a large share of total energy consumption.
Simboli ecclesiali dal Commento a Matteo in area aquileiese
Authors: Peressotti Giuseppe ,   Instituto Patristico Augustinianum
Published: November 2016

Writing in his pamphlet, De viris illustribus, St. Jerome informs us that Fortunatianus, bishop of Aquileia, wrote a Commentary on the Gospels. However, until a few years ago, we knew only a few fragments of this work. Now, thanks to the scholar Lukas Dorfbauer and to the manuscript Köln – D, we have the complete work. This paper presents this work, pending a critical edition, in which the Author dwells on the text of the Gospel of Matthew, capturing Fortunatianus’s interpretation and his references to the Church. To this are added some thoughts about the Church found in the commentaries of other Church Fathers of the fourth century.
The Water‐Energy Nexus in Motion
Authors: Grindstaff Joe , Pompa Jesse
Published: November 2016

To reduce its reliance on California's electric power grid, Inland Empire Utilities Agency created a renewable energy program that includes an innovative energy reservoir system.
The Water Guy
Authors: Lafrance David B.
Published: November 2016

Remember these numbers: 82 and 8. They represent the distribution of how the United States receives its drinking water. Most people don't realize that the United States has over 50,000 community water systems serving over 300 million individuals each day and that 82% of them serve only 8% of the population. That is because the majority of systems, the 82%, serve smaller communities with populations of 3,300 or less. At the other end of the spectrum, 8% of the water systems are large (serving populations over 10,000), and collectively they serve approximately 82% of the population.
High-efficiency simultaneous three-photon absorption upconversion luminescence of a terbium-doped germanate glass
Authors: Zhang Liaolin , Yang Runlan , Zou Hui , Shen Xiao , Zheng Jiajin , Wei Wei
Published: November 2016

In this paper, high-efficiency green upconversion luminescence from a terbium (Tb3+)-doped germanate glass is reported. The upconversion luminescence involved a simultaneous three-photon absorption process. Compared with an emission spectrum excited at 377 nm, the upconversion luminescence bands of Tb3+ pumped by an fs laser showed a slight red-shift. This was ascribed to the redistribution of glass composition when the glass sample was exposed to the high-intensity laser, which results in the aggregation of Tb3+ around the laser-exposed focal region, which in turn results in the slight red-shift of luminescence. The upconversion luminescence intensities at 540, 590, and 620 nm strongly depended on the polarization angle of the femtosecond laser, which was ascribed to the different transmittances of a half-wavelength plate at different polarization angles, which results in the regularity change in fs laser power.
Correlation between steady-oscillatory flow transition and the interface inversion process during the Czochralski growth of semitransparent oxide crystal
Authors: Faiez Reza , Rezaei Yazdan
Published: November 2016

In this paper, steady-oscillatory transition of the convective flow in a Czochralski (Cz) growth system was numerically studied. In this configuration, rapid variations in density across narrow region of the flow in the vicinity of the crystallization front leads to an unstable stratification of the flow in this region. Time-dependent, finite volume method calculation of the momentum and heat transport equations shows that an instability mechanism, giving rise to the formation of cold plumes beneath the phase boundary, might be associated with an irreversible change in the convexity of the front. Dynamics of the crystallization front was found to be correlated with the periodic oscillation of the flow. It was shown that the interface inversion process occurs at a critical Reynolds number significantly (∼25%) lower than that predicted by the steady-state Cz-oxide model analysis. Consistently, the time-averaged maximum value of stream function was found to be larger than its corresponding steady-state value. This indicates that the mechanism behind the oscillatory transition of the flow has a positive feedback on the intensity of forced convection flow. These numerical results were attributed to the baroclinic instability mechanism characterized by oscillations of a cold plume appearing at the crystal periphery and descending along the symmetry axis. The time period of oscillations was found to be considerably (30–40%) decreases and, simultaneously, the inclination angle of isopycnals increases (∼48%) at a critical rotation rate of the crystal for which the interface inversion occurs.
Efforts towards the Management of Lake Lanao and its Watershed
Authors: Garcia-Hansel Carmelita O. , Metillo Ephrime B.
Published: November 2016

Lake Lanao and its watershed are paramount resources not only to the island of Mindanao where they are located, but to the country in broader terms. The sustainability of their biodiversity and hydrological services requires a rational and appropriate management program. This paper reviews the historical various management efforts directed towards the Lake and its watershed up to the present. Since 1953 various Presidential Decrees have provided the management framework on the use of the resource under the leadership of the National Power Corporation. In 1992 following Presidential Proclamation 871 establishing the Lake Lanao Watershed Reserve, Memorandum Order No. 421 created a Lake Lanao Watershed Protection and Development Council (LLWPDC) to be headed by the Department of Environment and Natural Resources (DENR). Various management plans had been formulated and some projects initiated such as the LLWPDC’s Integrated Development Plan, the Food and Agriculture Organization Environmental Management Plan, a USAID-EcoGov pilot project on Forest Land Use Planning, and an Asian Development Bank Integrated Natural Resources and Environment Project. However, these have either not been implemented nor completed due to budgetary constraints and/or political circumstances. In January 2011, an interim Protected Area Management Board was organized inasmuch as under the NIPAS Act of 1992, proclaimed watershed reserves are an initial component of NIPAS. However, it requires a Protected Area Suitability Assessment before it can be legislated as a Protected Area; such assessment was completed in February 2012. Most recently, Senator Loren Legarda authored a bill entitled The Lake Lanao Development Authority akin to the Laguna Lake Development Authority, still waiting for congressional action. At present, there are various management issues and concerns, a major one being hydropower generation vis-à-vis the traditional domestic use of the Maranaos, the “people of the lake,” whose unique socio-cultural traits demand attention. Moreover, a number of environmental degradation issues (e.g. lake water greening, E. coli contamination, deforestation, siltation, invasive species, flooding) have been raised. These critical issues and concerns signal the immediate implementation of a participatory management approach involving users, planners and policy-makers at all levels.
Subacute Septicemia in a Leatherback Sea Turtle (Dermocheleys Coriacea) Rescued Ashore Northern Samar, Philippines
Authors: Camer Gerry Amor , Gajutos Aurelia , Villanueva Mila Gracia , Estopa Dionesio , Amit Nieta , Ogoc Myrna , Masangkay Joseph
Published: November 2016

The leatherback sea turtle (Dermocheleys coriacea) is considered an endangered species here in the Philippines and around the world. In Northern Samar, a leatherback sea turtle reportedly found by local fisher folks along the rocky mangrove and coral reef areas was placed in a rescue confinement for treatment and observation. Upon retrieval, the left fore flipper was already missing and the lacerated, amputated area was then bleeding. Treatment to arrest hemorrhage was performed and antimicrobials were administered. Two days thereafter, the animal succumbed to death. Because the animal was recovered a day following a typhoon that hit the province, it was inferred that the injury might be attributed to calamity-induced trauma as the animal was recovered as it was trapped along the rock-strewn mangrove areas. Following death, necropsy examination presented findings of severe congestive pneumonia, hemorrhages along the intestinal serosa, severe hepatic congestion, pericarditis and pronounced disseminated intravascular coagulopathy. The prominent histopathological finding of sub-acute severe hemorrhagic pneumonia with infiltrates of mononuclear cells, red blood cells, hemosiderins and proteinaceous debris were discerned along the lung parenchyma. The hepatocytes are swollen, distended and some presented congestion and necrosis. The intestinal sub-mucosae are infiltrated with mononuclear cells. Smears from blood and liver showed variable Gram-negative organisms. It was impressed that the animal may have been suffering from an underlying subclinical septicemic infection even prior to traumatic injury. These findings underscore the need to further study the microbial profile of this endangered species and provide means to mitigate occurrence of septicemia cases that could further exacerbate its dwindling populace. This index case of septicemia affecting a leatherback sea turtle has been reported for the first time in the country.
PROSPECÇÃO TECNOLÓGICA E CIENTÍFICA DA UTILIZAÇÃO DE LIPASES MICROBIANAS PARA TRATAMENTO DE EFLUENTES
Authors: Maia Leite Garrido João Victor , Ferraz Silva Cristina
Published: November 2016

No presente trabalho, foi realizada uma prospecção tecnológica e científica da aplicação de lipases microbianas no tratamento de efluentes com grandes cargas. Foram encontradas 2 patentes diretamente relacionadas ao tema da prospecção, uma proveniente da China e outra do Brasil. Além disso, os dados demonstraram que a produção científica dessa aplicação enzimática é relativamente recente, tornando possível mapear Brasil, China e Índia como os países que mais realizam publicações científicas na área. Por fim, os resultados obtidos demonstram que a quantidade de trabalhos utilizando lipases para tratamento de efluentes é muito menor quando comparada as suas outras aplicações, o que abre lacunas que podem ser exploradas e transformadas em produtos tecnológicos.
PROSPECÇÃO TECNOLÓGICA: ESTUDOS SOBRE COMPLEXO DE INCLUSÃO DO NEROLIDOL COM A β-CICLODEXTRINA
Authors: Diniz Edson Francisco Coelho , Moura Lays Rodrigues , Carvalho Rusbene B F de , Nunes Livio César Cunha
Published: November 2016

Os óleos essenciais têm grande importância econômica nas indústrias químicas, cosméticas e farmacêuticas. O sesquiterpeno nerolidol possui várias atividades farmacológicas, entretanto devido sua baixa hidrossolubilidade sua aplicabilidade tecnológica torna-se dificultada. A β-ciclodextrina, por possuir alta produtividade, baixo custo e apresentar cavidade ideal para a complexação de fármacos insolúveis em água, tem sido bastante utilizada. Assim, o objetivo desse artigo foi realizar uma prospecção tecnológica nas bases de dados INPI, USPTO, EPO e WIPO para mapear pedidos de patentes relacionando nerolidol com β-ciclodextrina formando complexo de inclusão. Não foi constatado nenhum pedido de patente quando associados os termos. A WIPO obteve maior número de patentes com os termos isolados. A China e os Estados Unidos são os países que mais realizaram pedidos de proteção, tendo 2010 como o ano em que houve maior pedido, ondes as patentes foram classificadas na sua maioria nas seções C e A na CIP.
Global geodynamic changes induced by all major earthquakes, 1976–2015
Authors: Chao Benjamin F. , Ding Hao
Published: November 2016

Using normal‐mode summations we calculate the coseismic changes in a suite of global geodynamic quantities produced by all the 43,304 major earthquakes that occurred during 1976–2015 from the Global Centroid Moment Tensor catalogue. We calculate changes for the Earth's inertia tensor elements and the ensuing Earth's rotation variations, as well as the monopolar changes of the volume ΔV(r), the total moment of inertia ΔT(r), and the gravitational energy ΔEg(r) as functions of the radius inside the Earth. The cumulative geodynamic changes are found to have strong statistical trends that are continuing from the past and further strengthened in recent years. Statistical analyses indicate that the thrust‐faulting earthquakes are predominantly responsible for these trends, as they are the dominant type overshadowing the normal‐faulting earthquakes that tend to produce the opposite effects. In particular, we report that the polar motion excitations due to the few greatest earthquakes since 2004 have facilitated the abrupt turn of the pole path observed during these years. For the monopolar parameters, we find an overall shrinkage in Earth's volume V(r) internally but an expansion near Earth's surface. The ensuing gravitational instability cannot be sustained over time and will be reversed by aseismic and interseismic deformations. The ΔT(r) and ΔEg(r) also exhibit trends where the coseismic action of earthquakes collectively makes the Earth more compact and dissipate a great amount of gravitational energy. Although aseismic effects are not addressed here, these coseismic trends are in keeping with the long‐term physical evolution of the Earth.
Localized reactive flow in carbonate rocks: Core‐flood experiments and network simulations
Authors: Wang Haoyue , Bernabé Yves , Mok Ulrich , Evans Brian
Published: November 2016

We conducted four core‐flood experiments on samples of a micritic, reef limestone from Abu Dhabi under conditions of constant flow rate. The pore fluid was water in equilibrium with CO2, which, because of its lowered pH, is chemically reactive with the limestone. Flow rates were between 0.03 and 0.1 mL/min. The difference between up and downstream pore pressures dropped to final values ≪1 MPa over periods of 3–18 h. Scanning electron microscope and microtomography imaging of the starting material showed that the limestone is mostly calcite and lacks connected macroporosity and that the prevailing pores are few microns large. During each experiment, a wormhole formed by localized dissolution, an observation consistent with the decreases in pressure head between the up and downstream reservoirs. Moreover, we numerically modeled the changes in permeability during the experiments. We devised a network approach that separated the pore space into competing subnetworks of pipes. Thus, the problem was framed as a competition of flow of the reactive fluid among the adversary subnetworks. The precondition for localization within certain time is that the leading subnetwork rapidly becomes more transmissible than its competitors. This novel model successfully simulated features of the shape of the wormhole as it grew from few to about 100 µm, matched the pressure history patterns, and yielded the correct order of magnitude of the breakthrough time. Finally, we systematically studied the impact of changing the statistical parameters of the subnetworks. Larger mean radius and spatial correlation of the leading subnetwork led to faster localization.
Wavelet analysis of precipitation extremes over Canadian ecoregions and teleconnections to large‐scale climate anomalies
Authors: Tan Xuezhi , Gan Thian Yew , Shao Dongguo
Published: November 2016

To detect significant interannual and interdecadal oscillations and their teleconnections to large‐scale climate anomalies such as El Niño–Southern Oscillation (ENSO), Pacific Decadal Oscillation (PDO), and North Atlantic Oscillation (NAO), monthly and seasonal maximum daily precipitation (MMDP and SMDP) from 131 stations across Canada were analyzed by using variants of wavelet analysis. Interannual (1–8 years) oscillations were found to be more significant than interdecadal (8–30 years) oscillations for all selected stations, and the oscillations are both spatial and time‐dependent. Similarly, the significant wavelet coherence and the phase difference between leading principal components of monthly precipitation extremes and climate indices were highly variable in time and in periodicity, and a single climate index explains less than 40% of the total variability. Partial wavelet coherence analysis shows that both ENSO and PDO modulated the interannual variability and PDO modulated the interdecadal variability, of MMDP over Canada. NAO is correlated with the western MMDP at interdecadal scale and the eastern MMDP at interannual scale. The composite analysis shows that precipitation extremes at about three fourths of the stations have been significantly influenced by ENSO and PDO patterns, while about one half of the stations by the NAO patterns. The magnitude of SMDP in extreme El Niño years, and extreme PDO event of positive phase, was mostly lower (higher) over the Canadian Prairies in summer and winter (spring and autumn) than in extreme La Niña years. Overall, the degree of influence of large‐scale climate patterns on Canadian precipitation extremes varies by season and by region.
Assessment of the simulation of Indian Ocean Dipole in the CESM—Impacts of atmospheric physics and model resolution
Authors: Yao Zhixiong , Tang Youmin , Chen Dake , Zhou Lei , Li Xiaojing , Lian Tao , Ul Islam Siraj
Published: November 2016

This study examines the possible impacts of coupling processes on simulations of the Indian Ocean Dipole (IOD). Emphasis is placed on the atmospheric model resolution and physics. Five experiments were conducted for this purpose, including one control run of the ocean‐only model, four coupled experiments using two different versions of the Community Atmosphere Model (CAM4 and CAM5) and two different resolutions. The results show that the control run could effectively simulate various features of the IOD. The coupled experiments run at the higher resolution yielded more realistic IOD period and intensity than their counterparts at the low resolution. The coupled experiments using CAM5 generally showed a better simulation skill in the tropical Indian SST climatology and phase‐locking than those using CAM4, but the wind anomalies were stronger and the IOD period were longer in the former experiments than in the latter. In all coupled experiments, the IOD intensity was much stronger than the observed intensity, which is attributable to wind‐thermocline depth feedback and thermocline depth‐subsurface temperature feedback. The CAM5 physics seems beneficial for the simulation of summer rainfall over the eastern equatorial Indian Ocean and the CAM4 physics tends to produce less biases over the western equatorial Indian Ocean, whereas the higher resolution tends to generate unrealistically strong meridional winds. The IOD‐ENSO relationship was captured reasonably well in coupled experiments, with improvements in CAM5 relative to CAM4. However, the teleconnection of the IOD‐Indian summer monsoon and ENSO‐Indian summer monsoon was not realistically simulated in all experiments.
Electrically Controllable Actuators Based on Supramolecular Peptide Hydrogels
Authors: Xue Bin , Qin Meng , Wang Tiankuo , Wu Junhua , Luo Dongjun , Jiang Qing , Li Ying , Cao Yi , Wang Wei
Published: November 2016

Hydrogel actuators that can undergo structural change upon external stimuli are highly demanded due to their potential applications in diverse fields. However, the actuators based on physically cross‐linked supramolecular hydrogels are largely unexplored. This study reports the engineering of an electrically controllable supramolecular hydrogel as an actuator from a self‐assembling short peptide, in which a catechol moiety is introduced as the stimuli‐responsive motif. This kind of electrochemically responsive hydrogel is mechanically stable and can switch its physical properties dramatically upon the applied electric field. The mechanism and reversibility of the change are studied in detail. As a proof of principle, devices are designed to perform the unidirectional expansion and rotational motion under electrical stimulations. The applications of the actuators for controllable drug release and actuation of microfluidic devices are also illustrated. It is expected that these kind of supramolecular hydrogel actuators can find broad applications as novel biosensors, artificial robots, and smart soft materials.
Semiconductor Metal–Organic Frameworks: Future Low‐Bandgap Materials
Authors: Usman Muhammad , Mendiratta Shruti , Lu Kuang‐Lieh
Published: November 2016

Metal–organic frameworks (MOFs) with low density, high porosity, and easy tunability of functionality and structural properties, represent potential candidates for use as semiconductor materials. The rapid development of the semiconductor industry and the continuous miniaturization of feature sizes of integrated circuits toward the nanometer (nm) scale require novel semiconductor materials instead of traditional materials like silicon, germanium, and gallium arsenide etc. MOFs with advantageous properties of both the inorganic and the organic components promise to serve as the next generation of semiconductor materials for the microelectronics industry with the potential to be extremely stable, cheap, and mechanically flexible. Here, a perspective of recent research is provided, regarding the semiconducting properties of MOFs, bandgap studies, and their potential in microelectronic devices.
Quantifying Energy Harvested from Contact‐Mode Hybrid Nanogenerators with Cascaded Piezoelectric and Triboelectric Units
Authors: Chen Song , Tao Xiaoming , Zeng Wei , Yang Bao , Shang Songmin
Published: November 2016

This paper presents an investigation of novel contact‐mode hybrid nanogenerators comprising cascaded piezoelectric and triboelectric units. For the first time, a theoretical analysis of the contact‐mode hybrid generator is presented to describe the relationships among transfer charges, voltage, current, and average output power in terms of material properties, hybrid generator structural parameters, harvesting, and operational conditions. New hybrid generators with much enhanced piezoelectricity are fabricated via a simple, room‐temperature, cost‐effective route by using nonwoven fabrics made from electrospun Polyvinyledenedifluoride‐trifluoroethylene (PVDF‐TrFE)/Ag nanowire nanofibers and Polydimethylsiloxane (PDMS) composites with graphite nanoparticles. The results provide a powerful tool for synthesis and selection of materials, design and optimization of the configuration, and operation of such kind of hybrid generators as well as determination of the value of external capacitor.
Spatial variation in mandibular bone elastic modulus and its effect on structural bending stiffness: A test case using the Taï Forest monkeys
Authors: Le Kim N. , Marsik Matthew , Daegling David J. , Duque Ana , McGraw William Scott
Published: November 2016

Objectives

We investigated how heterogeneity in material stiffness affects structural stiffness in the cercopithecid mandibular cortical bone. We assessed (1) whether this effect changes the interpretation of interspecific structural stiffness variation across four primate species, (2) whether the heterogeneity is random, and (3) whether heterogeneity mitigates bending stress in the jaw associated with food processing.

Materials and methods

The sample consisted of Taï Forest, Cote d'Ivoire, monkeys: Cercocebus atys, Piliocolobus badius, Colobus polykomos, and Cercopithecus diana. Vickers indentation hardness samples estimated elastic moduli throughout the cortical bone area of each coronal section of postcanine corpus. For each section, we calculated maximum area moment of inertia, Imax (structural mechanical property), under three models of material heterogeneity, as well as spatial autocorrelation statistics (Moran's I, IMORAN).

Results

When the model considered material stiffness variation and spatial patterning, Imax decreased and individual ranks based on structural stiffness changed. Rank changes were not significant across models. All specimens showed positive (nonrandom) spatial autocorrelation. Differences in IMORAN were not significant among species, and there were no discernable patterns of autocorrelation within species. Across species, significant local IMORAN was often attributed to proximity of low moduli in the alveolar process and high moduli in the basal process.

Discussion

While our sample did not demonstrate species differences in the degree of spatial autocorrelation of elastic moduli, there may be mechanical effects of heterogeneity (relative strength and rigidity) that do distinguish at the species or subfamilial level (i.e., colobines vs. cercopithecines). The potential connections of heterogeneity to diet and/or taxonomy remain to be discovered.
Eight‐Step Enantioselective Total Synthesis of (−)‐Cycloclavine
Authors: McCabe Stephanie R. , Wipf Peter
Published: November 2016

The first enantioselective total synthesis of (−)‐cycloclavine was accomplished in 8 steps and 7.1 % overall yield. Key features include the first catalytic asymmetric cyclopropanation of allene, mediated by the dirhodium catalyst Rh2(S‐TBPTTL)4, and the enone 1,2‐addition of a new TEMPO carbamate methyl carbanion. An intramolecular strain‐promoted Diels–Alder methylenecyclopropane (IMDAMC) reaction provided a pivotal tricyclic enone intermediate with more than 99 % ee after crystallization. The synthesis of (−)‐1 was completed by a late‐stage intramolecular Diels–Alder furan (IMDAF) cycloaddition to install the indole.
Binuclear C^C* Cyclometalated Platinum(II) NHC Complexes with Bridging Amidinate Ligands
Authors: Leopold Hendrik , Tenne Mario , Tronnier Alexander , Metz Stefan , Münster Ingo , Wagenblast Gerhard , Strassner Thomas
Published: November 2016

Binuclear C^C* cyclometalated NHC platinum(II) compounds with bridging amidinate ligands were synthesized to evaluate their photophysical properties. Their three‐dimensional structures were determined by a combination of 2D NMR experiments, mass spectrometry, DFT calculations, and solid‐state structure analysis. The bridging amidinate ligands enforce short distances between the platinum centers of the two cyclometalated structures, which gives rise to extraordinary photophysical properties.
Integrated model for traffic flow forecasting under rainy conditions
Authors: Qiu Han , Li Ruimin , Liu Hao
Published: November 2016

Inclement weather, such as heavy rain, significantly affects road traffic flow operation, which may cause severe congestion in road networks in cities. This study investigates the effect of inclement weather, such as rain events, on traffic flow and proposes an integrated model for traffic flow parameter forecasting during such events. First, an analysis of historical observation data indicates that the forecasting error of traffic flow volume has a significant linear correlation with mean precipitation, and thus, forecasting accuracy can be considerably improved by applying this linear correlation to correct forecasting values. An integrated online precipitation‐correction model was proposed for traffic flow volume forecasting based on these findings. We preprocessed precipitation data transformation and used outlier detection techniques to improve the efficiency of the model. Finally, an integrated forecasting model was designed through data fusion methods based on the four basic forecasting models and the proposed online precipitation‐correction model. Results of the model validation with the field data set show that the designed model is better than the other models in terms of overall accuracy throughout the day and under precipitation. However, the designed model is not always ideal under heavy rain conditions. Copyright © 2016 John Wiley & Sons, Ltd.
Structure–Activity Relationships of Benzenesulfonamide‐Based Inhibitors towards Carbonic Anhydrase Isoform Specificity
Authors: Bhatt Avni , Mahon Brian P. , Cruzeiro Vinicius Wilian D. , Cornelio Benedetta , Laronze‐Cochard Marie , Ceruso Mariangela , Sapi Janos , Rance Graham A. , Khlobystov Andrei N. , Fontana Antonella , Roitberg Adrian , Supuran Claudiu T. , McKenna Robert
Published: November 2016

Carbonic anhydrases (CAs) are implicated in a wide range of diseases, including the upregulation of isoforms CA IX and XII in many aggressive cancers. However, effective inhibition of disease‐implicated CAs should minimally affect the ubiquitously expressed isoforms, including CA I and II, to improve directed distribution of the inhibitors to the cancer‐associated isoforms and reduce side effects. Four benzenesulfonamide‐based inhibitors were synthesized by using the tail approach and displayed nanomolar affinities for several CA isoforms. The crystal structures of the inhibitors bound to a CA IX mimic and CA II are presented. Further in silico modeling was performed with the inhibitors docked into CA I and XII to identify residues that contributed to or hindered their binding interactions. These structural studies demonstrated that active‐site residues lining the hydrophobic pocket, especially positions 92 and 131, dictate the positional binding and affinity of inhibitors, whereas the tail groups modulate CA isoform specificity. Geometry optimizations were performed on each ligand in the crystal structures and showed that the energetic penalties of the inhibitor conformations were negligible compared to the gains from active‐site interactions. These studies further our understanding of obtaining isoform specificity when designing small molecule CA inhibitors.
Synthesis of Polydopamine‐Like Nanocapsules via Removal of a Sacrificial Mesoporous Silica Template with Water
Authors: Nador Fabiana , Guisasola Eduardo , Baeza Alejandro , Villaecija Miguel Angel Moreno , Vallet‐Regí Maria , Ruiz‐Molina Daniel
Published: November 2016

Hollow polymeric polydopamine (PDA) micro‐/nanocapsules have been obtained through a very simple, mild, and straightforward method that involves coating of silica mesoporous nanoparticles through an ammonia‐triggered polymerization of PDA and the posterior removal of the sacrificial template simply by dispersion in water, without the need of any harsh chemical reagent, either in the presence or absence of active principles, from doxorubicin to iron oxide nanoparticles. To demonstrate the potential of the nanocapsules obtained with this new approach, they have been successfully used as nanocarriers for drug delivery.
Covalent Modification of Highly Ordered Pyrolytic Graphite with a Stable Organic Free Radical by Using Diazonium Chemistry
Authors: Seber Gonca , Rudnev Alexander V. , Droghetti Andrea , Rungger Ivan , Veciana Jaume , Mas‐Torrent Marta , Rovira Concepció , Crivillers Núria
Published: November 2016

A novel, persistent, electrochemically active perchlorinated triphenylmethyl (PTM) radical with a diazonium functionality has been covalently attached to highly ordered pyrolytic graphite (HOPG) by electrografting in a single‐step process. Electrochemical scanning tunneling microscopy (EC‐STM) and Raman spectroscopy measurements revealed that PTM molecules had a higher tendency to covalently react at the HOPG step edges. The cross‐section profiles from EC‐STM images showed that there was current enhancement at the functionalized areas, which could be explained by redox‐mediated electron tunneling through surface‐confined redox‐active molecules. Cyclic voltammetry clearly demonstrated that the intrinsic properties of the organic radical were preserved upon grafting and DFT calculations also revealed that the magnetic character of the PTM radical was preserved.
Probing an Allosteric Pocket of CDK2 with Small Molecules
Authors: Christodoulou Michael S. , Caporuscio Fabiana , Restelli Valentina , Carlino Luca , Cannazza Giuseppe , Costanzi Elisa , Citti Cinzia , Lo Presti Leonardo , Pisani Pasquale , Battistutta Roberto , Broggini Massimo , Passarella Daniele , Rastelli Giulio
Published: November 2016

The availability of well‐characterized allosteric modulators is crucial for investigating the allosteric regulation of protein function. In a recently identified inactive conformation of cyclin‐dependent kinase 2 (CDK2), an open allosteric pocket was detected and proposed as a site to accommodate allosteric inhibitors. Previous structure‐based approaches allowed the identification of a hit compound expected to bind to this pocket. Herein we report the characterization of this compound by X‐ray crystallography, which surprisingly provided a chemical structure different from that previously reported. Therefore, the compound was synthesized and completely characterized. X‐ray structures of the synthesized and purchased compounds were found to be superimposable. A reaction mechanism was proposed to explain the formation of the structure indicated by crystallography. Moreover, a stereoselective synthesis was developed to evaluate the biological activity of the pure stereoisomers. Modeling studies were performed to unveil the details of the interaction with CDK2. The activity of the obtained compounds was evaluated with various biological assays. Mutagenesis experiments confirmed binding to the allosteric pocket. Finally, the allosteric ligands were shown to inhibit the growth of lung (A549) and ovarian (SKOV3) cancer cell lines. Therefore, this report presents a thorough chemical and biological characterization of the first small‐molecule ligands to be used as probes to study the allosteric modulation of CDK2 activity.
Blastocystis: Isolation, Xenic Cultivation, and Cryopreservation
Authors: Clark C. Graham , Stensvold C. Rune
Published: November 2016

Blastocystis is an intestinal parasite that is very easily isolated in culture from fresh stool samples. In fact, the parasite grows so readily in culture that short‐term in vitro culture is sometimes used as a diagnostic tool in the absence of DNA‐based methods. While axenizing Blastocystis cultures remains a significant challenge, the parasite can be propagated for several months in the presence of metabolically active bacteria (xenic culture). Hence, culture can be used for maintaining live Blastocystis strain libraries. This enables the production of a stable resource of reference material, which for instance can be used for DNA‐based assays and research. Blastocystis isolates can also be cryopreserved with a view to reestablishing them in culture. Here, we provide protocols for xenic in vitro culture and cryopreservation of Blastocystis. © 2016 by John Wiley & Sons, Inc.
Genome Editing Techniques and Their Therapeutic Applications
Authors: Calos MP
Published: November 2016

Fueled by advances in the field of genetics, the methods available to edit DNA sequences in living cells have continued to develop steadily. These technologies directly impact the fields of gene and cell therapy, where changes in the DNA sequence of target cells offer a route to correct genetic diseases and manipulate disorders like cancer. We review here the expanding menu of genome editing techniques and how they are being applied to therapeutic targets. The methods encompass a myriad of approaches to modify the covalent structure of DNA, including the targeted creation of double‐strand breaks that can catalyze genomic changes, as well as the use of retroviruses and transposons to mediate gene addition, recombinases for sequence‐specific gene addition and deletion, and base repair for direct sequence changes. The continued growth of the exciting field of genome editing is opening new possibilities for therapeutic intervention.
Substitution effects on ferroelectric, leakage current and anti‐fatigue characteristic of Bi4‐xSbxTi3O12 thin films
Authors: Wang Zan , Jiang Wei , Li San‐xi , Song De‐zhi
Published: November 2016

Bi4‐xSbxTi3O12 (BSTO) (x = 0, 0.03, 0.04, 0.05, 0.06 and 0.07) thin films have been fabricated on Pt/Ti/SiO2/Si substrates by sol‐gel method. The effects of various Sb3+ content on microstructure and ferroelectric properties of systems are investigated. XRD show that Bi4‐xSbxTi3O12 (x≠0) thin films prefer (117) orientation. The substitution Sb3+ for Bi3+ reduces the grain size of the film surface. Compared to the BTO (x = 0) film, Bi4‐xSbxTi3O12 films display exciting electric properties. Especially when x = 0.04, the film Bi3.96Sb0.04Ti3O12 has achieved the max 2Pr value of 87μC/cm2. This film also has a better anti‐fatigue characteristic, which can be up to 1010 switching cycles without fatigue. The leakage current density improved with J = 8×10−8 A/cm2.
Low energy/delay overhead level shifter for wide‐range voltage conversion
Authors: Lanuzza Marco , Crupi Felice , Rao Sandro , De Rose Raffaele , Iannaccone Giuseppe
Published: November 2016

Multi‐supply voltage systems on chip have been widely explored for energy‐efficient elaborations. A main challenge of multi‐supply voltage designs is the interfacing of digital signals coming from ultra‐low‐voltage core logics to higher power supply domains and/or to input/output circuits. In this work, we propose an energy/delay‐efficient level shifter architecture that is capable of converting extremely low levels of input voltages to the nominal voltage domain. In order to limit static power, the proposed circuit is based on the single‐stage differential cascode voltage switch scheme. To improve switching speed and dynamic energy consumption, our design dynamically adapts the current sourced by the pull‐up network on the basis of the occurring transition. A test chip was fabricated in 180 nm complementary metal–oxide–semiconductor technology to verify the proposed technique. Measurement results show that our design is capable of converting 100 mV of input voltages to 1.8 V, while assuring an average propagation delay of about 26 ns, an average static power of 100 pW, and an energy per transition of 140 fJ for the target voltage‐level conversion from 0.4 to 1.8 V. Copyright © 2016 John Wiley & Sons, Ltd.
Effect of ABO incompatibility on T‐cell flow cytometry cross‐match results prior to living donor kidney transplantation
Authors: Lindemann M. , Lenz V. , Nyadu B. , Heinemann F. M. , Heinold A. , Guberina H. , Eisenberger U. , Lachmann N. , Schönemann C. , Kribben A. , Paul A. , Horn P. A. , Witzke O.
Published: November 2016

Background

Due to its high sensitivity, the flow cytometry cross‐match (FCXM) has been described as valuable tool for identifying an optimal donor. We here focused on the impact of ABO incompatibility on FCXM results.

Methods

We analyzed 29 ABO incompatible and 89 ABO compatible donor‐recipient pairs (73 and 175 datasets, respectively) prior to living donor kidney transplantation. In all patients, lymphocytotoxic cross‐matches for B and T cells were negative.

Results

Recipients with blood group O (A to O and B to O) displayed significantly (P < 0.05) higher T‐FCXM results than those with blood group A and B (A to B, B to A and AB to A), respectively. Donor‐specific T‐FCXM responses (ΔMFI values) were significantly higher (P < 0.05) in ABO incompatible vs. compatible pairs (ABO incompatible recipients with blood group O: 32 ± 6; with blood group A: 19 ± 7; with blood group B: 7 ± 4; recipients with ABO compatibility: 3 ± 2, respectively, data represent mean ± SEM). Consistent with the T‐FCXM results donor‐specific isohemagglutinins (IgG titers) were significantly higher in recipients with blood group O vs. A, both prior to rituximab treatment and plasmapheresis/immune adsorption (P = 0.004) and immediately prior to transplantation, i.e., after rituximab and antibody‐depleting therapies (P = 0.04).

Conclusions

ABO incompatibility was associated with higher T‐FCXM responses, especially in recipients with blood group O. This finding has major impact on the interpretation of flow cross‐match results. Current cut‐off values need to be reassessed in the ABO incompatible setting. © 2016 International Clinical Cytometry Society
Review your procedures through your students' eyes
Authors: Gaddy Stephanie
Published: November 2016

Most disability services providers know that the population of students with disabilities in higher education is around 11 percent, and most also know that not all of these students will achieve graduation. Of the students who do graduate, generally it may take them a little more time than their peers without disabilities, and they may also achieve lower grades. Although there are many reasons why students with disabilities may struggle to succeed in higher education, one reason is that they do not self‐advocate.
Launch a center for student‐veterans with disabilities
Authors: Hope Joan
Published: November 2016

Brandman University has launched a new veterans connection and support center for student‐veterans with disabilities. A $200,000 donation enabled the creation of the center, which will serve students in person on the Irvine, Calif. campus and through Skype and other technologies for Brandman's other 25 campuses. Loren O'Connor, assistant vice chancellor in the Office of Accessible Education and Counseling Services; and Chris Schuldes, student‐veteran coordinator, explained the decisions they made about setting up the center.
A genetic algorithm‐based framework for wavelength selection on sample categorization
Authors: Anzanello Michel J. , Yamashita Gabrielli , Marcelo Marcelo , Fogliatto Flávio S. , Ortiz Rafael S. , Mariotti Kristiane , Ferrão Marco F.
Published: November 2016

In forensic and pharmaceutical scenarios, the application of chemometrics and optimization techniques has unveiled common and peculiar features of seized medicine and drug samples, helping investigative forces to track illegal operations. This paper proposes a novel framework aimed at identifying relevant subsets of attenuated total reflectance Fourier transform infrared (ATR‐FTIR) wavelengths for classifying samples into two classes, for example authentic or forged categories in case of medicines, or salt or base form in cocaine analysis. In the first step of the framework, the ATR‐FTIR spectra were partitioned into equidistant intervals and the k‐nearest neighbour (KNN) classification technique was applied to each interval to insert samples into proper classes. In the next step, selected intervals were refined through the genetic algorithm (GA) by identifying a limited number of wavelengths from the intervals previously selected aimed at maximizing classification accuracy. When applied to Cialis®, Viagra®, and cocaine ATR‐FTIR datasets, the proposed method substantially decreased the number of wavelengths needed to categorize, and increased the classification accuracy. From a practical perspective, the proposed method provides investigative forces with valuable information towards monitoring illegal production of drugs and medicines. In addition, focusing on a reduced subset of wavelengths allows the development of portable devices capable of testing the authenticity of samples during police checking events, avoiding the need for later laboratorial analyses and reducing equipment expenses. Theoretically, the proposed GA‐based approach yields more refined solutions than the current methods relying on interval approaches, which tend to insert irrelevant wavelengths in the retained intervals. Copyright © 2016 John Wiley & Sons, Ltd.
Signaling networks in joint development
Authors: Salva Joanna E. , Merrill Amy E.
Published: November 2016

Here we review studies identifying regulatory networks responsible for synovial, cartilaginous, and fibrous joint development. Synovial joints, characterized by the fluid‐filled synovial space between the bones, are found in high‐mobility regions and are the most common type of joint. Cartilaginous joints such as the intervertebral disc unite adjacent bones through either a hyaline cartilage or a fibrocartilage intermediate. Fibrous joints, which include the cranial sutures, form a direct union between bones through fibrous connective tissue. We describe how the distinct morphologic and histogenic characteristics of these joint classes are established during embryonic development. Collectively, these studies reveal that despite the heterogeneity of joint strength and mobility, joint development throughout the skeleton utilizes common signaling networks via long‐range morphogen gradients and direct cell‐cell contact. This suggests that different joint types represent specialized variants of homologous developmental modules. Identifying the unifying aspects of the signaling networks between joint classes allows a more complete understanding of the signaling code for joint formation, which is critical to improving strategies for joint regeneration and repair. Developmental Dynamics 246:262–274, 2017. © 2016 Wiley Periodicals, Inc.
Adhesion G‐protein coupled receptors and extracellular matrix proteins: Roles in myelination and glial cell development
Authors: Mehta Paulomi , Piao Xianhua
Published: November 2016

Adhesion G protein‐coupled receptors (aGPCRs) are a large family of transmembrane proteins that play important roles in many processes during development, primarily through cell–cell and cell–extracellular matrix (ECM) interactions. In the nervous system, they have been linked to the complex process of myelination, both in the central and peripheral nervous system. GPR126 is essential in Schwann cell‐mediated myelination in the peripheral nervous system (PNS), while GPR56 is involved in oligodendrocyte development central nervous system (CNS) myelination. VLGR1 is another aGPCR that is associated with the expression of myelin‐associated glycoprotein (MAG) which has inhibitory effects on the process of nerve repair. The ECM is composed of a vast array of structural proteins, three of which interact specifically with aGPCRs: collagen III/GPR56, collagen IV/GPR126, and laminin‐211/GPR126. As druggable targets, aGPCRs are valuable in their ability to unlock treatment for a wide variety of currently debilitating myelin disorders. Developmental Dynamics 246:275–284, 2017. © 2016 Wiley Periodicals, Inc.