bluuebunny/crossref_metadata_2025_split huggingface dataset:
Acyl‐Directed ortho‐Borylation of Anilines and C7 Borylation of Indoles using just BBr3
Authors: Iqbal Saqib A. , Cid Jessica , Procter Richard J. , Uzelac Marina , Yuan Kang , Ingleson Michael J. 
Published: August 2019

AbstractIndoles are privileged heterocycles found in many biologically active pharmaceuticals and natural products. However, the selective functionalization of the benzenoid moiety in indoles in preference to the more reactive pyrrolic unit is a significant challenge. Herein we report that N‐acyl directing groups enable the C7‐selective C−H borylation of indoles using just BBr3. This transformation shows some functional‐group tolerance and notably proceeds with C6 substituted indoles. The directing group can be readily removed in situ and the products isolated as the pinacol boronate esters. Acyl‐directed electrophilic borylation can be extended to carbazoles and anilines with excellent ortho selectivity. 4‐amino‐indoles are amenable to this process, with acyl group installation and directed electrophilic C−H borylation enabling selective formation of C5‐BPin‐indoles.
Luminescent mononuclear and dinuclear cycloplatinated (II) complexes comprising azide and phosphine ancillary ligands
Authors: Nikahd Sahebeh , Babadi Aghakhanpour Reza , Nabavizadeh S. Masoud , Niroomand Hosseini Fatemeh , Hoseini S. Jafar , Pfitzner Arno , Samandar Sangari Mozhgan 
Published: August 2019

A new series of cycloplatinated (II) complexes with general formulas of [Pt (bhq)(N3)(P)] [bhq = deprotonated 7,8‐benzo[h]quinoline, P = triphenyl phosphine (PPh3) and methyldiphenyl phosphine], [Pt (bhq)(P^P)]N3 [P^P = 1,1‐bis (diphenylphosphino)methane (dppm) and 1,2‐bis (diphenylphosphino)ethane] and [Pt2(bhq)2(μ‐P^P)(N3)2] [P^P = dppm and 1,2‐bis (diphenylphosphino)acetylene] is reported in this investigation. A combination of azide (N3−) and phosphine (monodentate and bidentate) was used as ancillary ligands to study their influences on the chromophoric cyclometalated ligand. All complexes were characterized by nuclear magnetic resonance spectroscopy. To confirm the presence of the N3− ligand directly connected to the platinum center, complex [Pt (bhq)(N3)(PPh3)] was further characterized by single‐crystal X‐ray crystallography. The photophysical properties of the new products were studied by UV–Vis spectroscopy in CH2Cl2 and photoluminescence spectroscopy in solid state (298 or 77 K) and in solution (77 K). Using density functional theory calculations, it was proved that, in addition to intraligand charge‐transfer (ILCT) and metal‐to‐ligand charge‐transfer (MLCT) transitions, the L′LCT (L′ = N3, L = C^N) electronic transition has a remarkable contribution in low energy bands of the absorption spectra (for complexes [Pt (bhq)(N3)(P)] and [Pt2(bhq)2(μ‐P^P)(N3)2]). It is indicative of the determining role of the N3− ligand in electronic transitions of these complexes, specifically in the low energy region. In this regard, the photoluminescence studies indicated that the emissions in such complexes originate from a mixed 3ILCT/3MLCT (intramolecular) and also from aggregations (intermolecular).
Feed‐in‐tariffs and the politics of renewable energy in Indonesia and the Philippines
Authors: Guild James 
Published: August 2019

AbstractThe ability of Southeast Asia's largest economies to develop renewable energy sectors is important for the reduction of carbon emissions. A popular policy tool for jump‐starting growth in renewables is feed‐in‐tariffs (FITs), whereby the government pays a long‐term and mutually agreed rate to independent power producers to develop renewable energies such as solar, biomass, wind, and hydropower. Indonesia and the Philippines have both adopted FITs in recent years, and the result has been a strong growth of renewable energy in the Philippines, but not in Indonesia. This difference can be partly explained by variances in policy design and political economic conditions that have impacted policy success. The Philippines enacted a FIT scheme that reflected several best practices in policy design. The political economic conditions of energy markets in the Philippines were also initially more favourable. The variance in these components helps to explain the divergent results of their respective FIT systems.
Aggregation‐Induced Emission Properties of Copper Iodide Clusters
Authors: Utrera‐Melero Raquel , Mevellec Jean‐Yves , Gautier Nicolas , Stephant Nicolas , Massuyeau Florian , Perruchas Sandrine 
Published: August 2019

AbstractThe aggregation‐induced emission (AIE) properties of two different copper iodide clusters have been studied. These two [Cu4I4L4] clusters differ by their coordinated phosphine ligand and the luminescent mechanochromic properties are only displayed by one of them. The two clusters are AIE‐active luminophors that exhibit an intense emission in the visible region upon aggregation. The formed particles present luminescent thermochromism comparable to that of the bulk compounds. The observed AIE properties can be attributed to suppression of nonradiative relaxation of the excited states in a more rigid state, in relation to the large structural relaxation of the excited triplet state. The differences observed in the AIE properties of the two clusters can be related to the different ligands. A correlation between the luminescence mechanochromic properties and the AIE effect is not straightforward, but the formation of “soft” molecular solids is a common characteristic that can explain the photoactive properties of these compounds.
Potential for biojet production from different biomass feedstocks and consolidated technological routes: a georeferencing and spatial analysis in Brazil
Authors: Carvalho Francielle , da Silva Fabio T. F. , Szklo Alexandre , Portugal‐Pereira Joana 
Published: August 2019

AbstractThis paper assesses the biojet fuel production potential in Brazil. It evaluates feedstock availability by applying a georeferencing analysis, and determines the cost‐effectiveness and greenhouse gas (GHG) emissions of selected production routes throughout their entire life cycle. This study identifies and locates Brazilian hotspots in terms of bioenergy availability and proximity to the main sites of fuel consumption and handling in the country. Findings show that the biomass availability for each crop in the hotspots would be sufficient to feed the biojet conversion plants proposed in this study. The biojet production potential in the hotspots would represent 48% of the country's jet fuel consumption in 2014, allowing the current certificated 50% blend with conventional fuel. The major biomass hotspots are close to airport and fuel logistic basis. However, even with a US$ 200.tCO–1
2 tax, hydroprocessed esters and fatty acids (HEFA) biojet is far from being competitive with petroleum‐based jet fuel, whereas the Fischer–Tropsch synthetic paraffinic kerosene (FT‐SPK) route may produce a competitive biojet. One possible pathway to incentivize biojet fuel production in Brazil would be, first, to implement carbon taxes that would allow the development of smaller plants. Then, with technological learning and larger production scales, it would be possible to reduce or even eliminate the carbon taxes. © 2019 Society of Chemical Industry and John Wiley & Sons, Ltd.
Scaffoldless tissue‐engineered cartilage for studying transforming growth factor beta‐mediated cartilage formation
Authors: Chavez Robert D. , Serra Rosa 
Published: August 2019

AbstractReduced transforming growth factor beta (TGF‐β) signaling is associated with osteoarthritis (OA). TGF‐β is thought to act as a chondroprotective agent and provide anabolic cues to cartilage, thus acting as an OA suppressor in young, healthy cartilage. A potential approach for treating OA is to identify the factors that act downstream of TGF‐β's anabolic pathway and target those factors to promote cartilage regeneration or repair. The aims of the present study were to (a) develop a scaffoldless tissue‐engineered cartilage model with reduced TGF‐β signaling and disrupted cartilage formation and (b) validate the system for identifying the downstream effectors of TGF‐β that promote cartilage formation. Sox9 was used to validate the model because Sox9 is known to promote cartilage formation and TGF‐β regulates Sox9 activity. Primary bovine articular chondrocytes were grown in Transwell supports to form cartilage tissues. An Alk5/TGF‐β type I receptor inhibitor, SB431542, was used to attenuate TGF‐β signaling, and an adenovirus encoding FLAG‐Sox9 was used to drive the expression of Sox9 in the in vitro‐generated cartilage. SB431542‐treated tissues exhibited reduced cartilage formation including reduced thicknesses and reduced proteoglycan staining compared with control tissue. Expression of FLAG‐Sox9 in SB431542‐treated cartilage allowed the formation of cartilage despite antagonism of the TGF‐β receptor. In summary, we developed a three‐dimensional in vitro cartilage model with attenuated TGF‐β signaling. Sox9 was used to validate the model for identification of anabolic agents that counteract loss of TGF‐β signaling. This model has the potential to identify additional anabolic factors that could be used to repair or regenerate damaged cartilage.
Refinement of risk stratification for childhood rhabdomyosarcoma using FOXO1 fusion status in addition to established clinical outcome predictors: A report from the Children's Oncology Group
Authors: Hibbitts Emily , Chi Yueh‐Yun , Hawkins Douglas S. , Barr Frederic G. , Bradley Julie A. , Dasgupta Roshni , Meyer William H. , Rodeberg David A. , Rudzinski Erin R. , Spunt Sheri L. , Skapek Stephen X. , Wolden Suzanne L. , Arndt Carola A. S. 
Published: August 2019

AbstractBackgroundPrevious studies of the prognostic importance of FOXO1 fusion status in patients with rhabdomyosarcoma (RMS) have had conflicting results. We re‐examined risk stratification by adding FOXO1 status to traditional clinical prognostic factors in children with localized or metastatic RMS.MethodsData from six COG clinical trials (D9602, D9802, D9803, ARST0331, ARTS0431, ARST0531; two studies each for low‐, intermediate‐ and high‐risk patients) accruing previously untreated patients with RMS from 1997 to 2013 yielded 1727 evaluable patients. Survival tree regression for event‐free survival (EFS) was conducted to recursively select prognostic factors for branching and split. Factors included were age, FOXO1, clinical group, histology, nodal status, number of metastatic sites, primary site, sex, tumor size, and presence of metastases in bone/bone marrow, soft tissue, effusions, lung, distant lymph nodes, and other sites. Definition and outcome of the proposed risk groups were compared to existing systems and cross‐validated results.ResultsThe 5‐year EFS and overall survival (OS) for evaluable patients were 69% and 79%, respectively. Extent of disease (localized versus metastatic) was the first split (EFS 73% vs 30%; OS 84% vs. 42%). FOXO1 status (positive vs negative) was significant in the second split both for localized (EFS 52% vs 78%; OS 65% vs 88%) and metastatic disease (EFS 6% vs 46%; OS 19% vs 58%).ConclusionsAfter metastatic status, FOXO1 status is the most important prognostic factor in patients with RMS and improves risk stratification of patients with localized RMS. Our findings support incorporation of FOXO1 status in risk stratified clinical trials.
Ionic Pd/NHC Catalytic System Enables Recoverable Homogeneous Catalysis: Mechanistic Study and Application in the Mizoroki–Heck Reaction
Authors: Eremin Dmitry B. , Denisova Ekaterina A. , Yu. Kostyukovich Alexander , Martens Jonathan , Berden Giel , Oomens Jos , Khrustalev Victor N. , Chernyshev Victor M. , Ananikov Valentine P. 
Published: August 2019

AbstractN‐Heterocyclic carbene (NHC) ligands are ubiquitously utilized in catalysis. A common catalyst design model assumes strong M–NHC binding in this metal–ligand framework. In contrast to this common assumption, we demonstrate here that lability and controlled cleavage of the M−NHC bond (rather than its stabilization) could be more important for high‐performance catalysis at low catalyst concentrations. The present study reveals a dynamic stabilization mechanism with labile metal–NHC binding and [PdX3]−[NHC‐R]+ ion pair formation. Access to reactive anionic palladium intermediates formed by dissociation of the NHC ligands and plausible stabilization of the molecular catalyst in solution by interaction with the [NHC‐R]+ azolium ion is of particular importance for an efficient and recyclable catalyst. These ionic Pd/NHC complexes allowed for the first time the recycling of the complex in a well‐defined form with isolation at each cycle. Computational investigation of the reaction mechanism confirms a facile formation of NHC‐free anionic Pd in polar media through either Ph–NHC coupling or reversible H–NHC coupling. The present study formulates novel ideas for M/NHC catalyst design.
Self‐Assembly of a Trithioorthoformate‐Capped Cyclophane and Its Endohedral Inclusion of a Methine Group
Authors: Collins Mary S. , Shear Trevor A. , Smith Elizabeth K. , Strain S. Michael , Zakharov Lev N. , Johnson Darren W. 
Published: August 2019

AbstractAn unusual trithioorthoformate‐capped cyclophane cage was assembled via antimony‐activated iodine oxidation of thiols as confirmed by 1H‐NMR spectroscopy and X‐ray crystallography. The disulfide bridges can undergo desulfurization with hexamethylphosphorous triamide (HMPT) at ambient temperature to capture a trithioether cyclophane cage capped by the trithioorthoformate. In both cages a methine proton points directly into the small cavity. This unexpected structure is hypothesized to have formed as a result of haloform insertion during oxidation.
Wire‐Like Tip‐To‐Tip Linked Assemblies of CdSe‐CdS Quantum Rods Promoted on Supramolecular Nanofibers of Hybrid Organo‐ and Hydrogels
Authors: Chakrabarty Arkajyoti , Maity Mitasree , Raffy Guillaume , Marre Samuel , Aymonier Cyril , Maitra Uday , Del Guerzo André 
Published: August 2019

AbstractA variety of core‐shell CdSe‐CdS nanorods or quantum rods (QRs), both sphere (CdSe) in rod (CdS) and rod (CdSe) in rod (CdS) have been synthesized in a seeded‐growth approach using a very efficient and highly thermally stable steroidal cadmium precursor replacing the more common CdO: cadmium deoxycholate. The core‐shell QRs display high photoluminescence quantum yields (40–75%) and high molar absorption co‐efficient (ϵ=106 M−1 cm−1). Sphere‐in‐rods QRs can be co‐assembled with the organogelator diethylaminolithocholyl iodide in 1,2‐dichlorobenzene and with the hydrogelator calcium cholate in water to form hybrid gels. These organic‐inorganic hybrid soft materials are translucent and brightly red‐luminescent. The nanofibers composing the gel network act as a scaffold to support the dispersed QRs and impede their self‐aggregation. Furthermore, formation of original wire‐like assemblies of the nanorods is promoted in these gels, in particular in the hydrogel. This orientation occurs by a QR tip‐to‐tip interaction and is proposed to be driven by the amphiphilic behaviour of the QRs: laterally capped by negatively charged TGA (thioglycolic acid) ligands and un‐capped on the tips due to TGA unbinding. The combination of nanofiber‐forming hydrogelators and elongated quantum rods is promising in the perspective to form hybrid nanostructures with anisotropic optic or electronic properties.
ABC algorithm‐based trustworthy energy‐efficient MIMO routing protocol
Authors: D Sathian. 
Published: August 2019

SummaryThis paper introduces artificial bee algorithm (ABC)‐based energy‐efficient protocol with security for the enhancement of lifetime of wireless sensor network. A trustworthy energy‐efficient routing MIMO (TEEM) technique is used by implementing MIMO technique in TEER protocol to isolate malicious nodes and to reduce the fading effects and interference in the network. The performance of ABC‐based trustworthy energy‐efficient MIMO routing (ABC‐TEEM) protocol is analysed. Alive node performance, residual energy, throughput analysis, and pocket loss rate of ABC‐TEEM protocol for WSN are computed and compared with the performance of existing TEEM protocol for various diversity orders.
Evaluation of the Antioxidant Properties of Micronutrients in Different Vegetable Oils
Authors: Liu Ruijie , Lu Mengyao , Zhang Tao , Zhang Zhiyan , Jin Qingzhe , Chang Ming , Wang Xingguo 
Published: August 2019

AbstractMicronutrients (tocols, sterols, and total phenolic) and antioxidant activities of 15 varieties of common vegetable oil samples obtained from different countries are investigated. All methanol extracts are assayed for total antioxidant ability and cellular antioxidant activity (CAA) using oxygen radical absorbance capacity (ORAC) method and CAA assay. CAA has been widely used in the evaluation of food antioxidants recently. It quantifies antioxidant capacity utilizing a HepG2 cell model, which is more biologically representative. Linseed and sesame oils show much higher CAA values than the others tested; however, levels of walnut, sunflower, and coconut oils are extremely low, which are hard to be quantified. A significant correlation between the ORAC and CAA values and total phenolic content (p < 0.05) is observed. High‐phenolic olive oil has the highest level of phenolics and the highest ORAC, while linseed oil has the highest CAA value. Based on this, choosing proper edible oil consumption may reduce oxidative damage of human body and promote the precision processing of edible oil such as retaining beneficial ingredients moderately.Practical Application: This study demonstrates the evaluation of the universality of vegetable oils by the cellular antioxidant model and provides a data reference for the selection of edible oils with excellent antioxidant properties.
Potential of plant‐based photosensitizers in dye‐sensitized solar cell applications
Authors: Mary Rosana Nalzala Thomas , Joshua Amarnath Duvvuru , Senthil Kumar Ponnusamy , Vincent Joseph Kaniyambatti Lourdusamy 
Published: August 2019

AbstractIn this work, the performance of dye‐sensitized solar cells (DSSCs) has been investigated using the extracts from Murraya koenigii, Plectranthus amboinicus, and Coriandrum sativum. The DSSCs were assembled with the extracts, titanium dioxide as the working electrode, iodide/tri‐iodide (I3−/I−) as redox couple, and platinum as the counter electrode and their photovoltaic performances were compared. The crude chlorophyll photosensitizer extracted from Plectranthus amboinicus exhibited an open‐circuit voltage (VOC) of 637 mV, a short‐circuit current density of 0.99 mA/cm2, a fill factor of 0.63, and an energy conversion efficiency of 0.46%. The present results were much higher than the previously reported results by our group.
Smart‐city medium access for smart mobility applications in Internet of Things
Authors: Al‐Turjman Fadi 
Published: August 2019

AbstractIn this paper, we target the wireless medium access problem under rapid mobility conditions in smart cities. We take advantage of cloud computing and put forward an agile vehicular cloud and mobile Internet of Things communication framework. The framework is employing the standardized Long Term Evolution (LTE) while improving the quality of service (QoS) in modern mobile applications. It minimizes the communication delay and error rates in smart real‐time transportation applications while maintaining the highest network throughput via enhanced medium access protocol. The objective of this study is to improve the connection between the vehicles and the roadside units, which are equipped with real‐time devices. The proposed approach integrates Markovian process with IEEE 802.16 to analyze various QoS metrics, namely throughput, error rate, and the average packet delay.
Process optimization and kinetics of deep fat frying conditions of sausage processed from goat meat using response surface methodology
Authors: Sobowale Sunday Samuel , Olayanju Tajudeen Adeniyi , Mulaba‐Bafubiandi Antoine Floribert 
Published: August 2019

AbstractThis study investigated the effects and optimization of cooking time (30, 45, 60 min), frying temperature (150, 170, 190°C) and time (3, 6, 9 min) on the quality (moisture content, moisture loss, fat and protein content, color), textural, and sensory characteristics of deep fat fried goat meat sausage by response surface methodology (RSM) using a three‐level Box–Behnken design. The kinetic of moisture loss and fat absorption were also determined using first‐order equation. The goat meat was precooked and fried using a 2.5‐L electric deep fryer with a temperature control of ± 10°C. The results showed that all the quality, textural, and sensory characteristics of goat meat sausage investigated were significantly influenced (p < .05) by the frying conditions. The effective moisture diffusivity ranged from 1.22 × 10–8 to 2.84 × 10–8 m2/s and 2.43 × 10–9 to 1.22 × 10‐8m2/s for the moisture loss and fat absorption, respectively. Activation energies estimated were 71.04 to 77.76 KJ/mol and 65.82 to 67.2 KJ/mol, respectively. The frying kinetics obeyed the first‐order rate constant, and the temperature dependency of moisture loss was higher compared to fat absorption of the fried goat meat sausage in all the samples. The optimal conditions for the deep fat frying of goat meat sausage were achieved using cooking time of 45 min fat frying temperature of 150°C and time of 9 min with (R2 > 0.9) and were the most preferred sausage sample and accepted by the sensory panelists. This study has shown that the optimal frying conditions observed could be a viable alternative for the commercialization of quality goat meat sausages and other fried meat products in the food industry.
A study of the potential of using the Earth to air heat exchanger for cooling and heating of residential buildings in Iraq
Authors: Hasan Mushtaq I. , Noori Sajad W. 
Published: August 2019

AbstractThe Earth to air heat exchanger (EAHE) is an effective passive cooling and heating system for buildings. This paper studied numerically the potential for reduction in energy consumption for cooling and heating loads for a residence equipped with an EAHE system in the climate of Nasiriya city, which is located in southern Iraq and at 31.7°N and 45.8°E, latitude and longitude, respectively. Also, this paper presents a study about the thermal performance of three types of EAHE systems, system 1, consisting of one layer of EAHE and buried at an available area of house garden with 3‐m depth, system 2, at the same site of system 1, but with two layers of EAHE at two depths, 3 and 4 m, and finally, system 3, buried along the area of the house at a depth of 3 m. First, the built numerical model was validated against experimental results, and the results of the comparison showed good agreement. The electricity consumption for cooling and heating of the house is calculated with and without the EAHE system. The results showed that with using EAHE, there is a considerable saving in energy and saving in the cost of electricity consumption, which reached 376 329 IQD ($301.11) over 1 year for system 2.
Constructing cocyclic Hadamard matrices of order 4p
Authors: Barrera Acevedo Santiago , Ó Catháin Padraig , Dietrich Heiko 
Published: August 2019

AbstractCocyclic Hadamard matrices (CHMs) were introduced by de Launey and Horadam as a class of Hadamard matrices (HMs) with interesting algebraic properties. Ó Catháin and Röder described a classification algorithm for CHMs of order based on relative difference sets in groups of order ; this led to the classification of all CHMs of order at most 36. On the basis of work of de Launey and Flannery, we describe a classification algorithm for CHMs of order with a prime; we prove refined structure results and provide a classification for . Our analysis shows that every CHM of order with is equivalent to a HM with one of five distinct block structures, including Williamson‐type and (transposed) Ito matrices. If , then every CHM of order is equivalent to a Williamson‐type or (transposed) Ito matrix.