bluuebunny/crossref_metadata_2025 huggingface dataset:
Precursors of deep moist convection in a subkilometer global simulation
Authors: Miyamoto Yoshiaki , Yamaura Tsuyoshi , Yoshida Ryuji , Yashiro Hisashi , Tomita Hirofumi , Kajikawa Yoshiyuki
Published: September 2016

Deep moist convection in the atmosphere plays an important role in cloudy weather disturbances, such as hurricanes, and even in the global climate. The convection often causes disastrous heavy rainfall, and predicting such convection is therefore critical for both disaster prevention and climate projection. Although the key parameters for convection have been pointed out, understanding the preprocesses of convection is a challenging issue. Here we identified the precursors of convection by analyzing a global simulated data set with very high resolution in time and space. We found that the mass convergence near the Earth's surface changed significantly several minutesbeforethe initiation of early convection (the formation of cumulus clouds), which occurred with the increase in the convective available potential energy (CAPE). Decomposition of the statistical data revealed that a higher‐CAPE environment resulted in stronger convection than in the stronger‐convergence case. Furthermore, for the stronger‐convergence case, the precursor was detected earlier than the total average (10–15 min before the initiation), whereas the amplitude of maximum velocity was not so strong as the higher‐CAPE case. This suggests that the strength of convection is connected with CAPE, and the predictability is sensitive to the convergence.
Influence of topography on temperature variations in the tropical tropopause layer
Authors: Kubokawa Hiroyasu , Satoh Masaki , Suzuki Junko , Fujiwara Masatomo
Published: September 2016

Temperature variations in the tropical tropopause layer (TTL) play an important role in dehydration in the upper troposphere and lower stratosphere. Equatorial Kelvin waves associated with the Madden‐Julian Oscillation (MJO) are known to induce remarkable temperature variations in the TTL. In this study, the influence of topography on temperature variations in the TTL is investigated by using radiosonde data, satellite data, reanalysis data, and numerically simulated data. When MJO convection passes over the radiosonde sites, temperature variations near mountainous regions are larger than those measured in regions of lower elevation. The difference in temperature amplitude reaches ~1–2 K. Large temperature variations over mountainous regions were also found in other data sets. Numerically simulated data from the Nonhydrostatic Icosahedral Atmospheric Model (NICAM) are also used to investigate the temperature variations in the TTL. The results show that the temperature variations associated with Kelvin waves become large over mountainous regions. A sensitivity test using the stretched version of NICAM gave two important results: (i) the height of mountains affects the magnitude of the temperature variations in the TTL, and (ii) the terrain‐following coordinate system used in the model produces the artificially high‐temperature variation in the TTL. When Kelvin waves pass over mountainous regions, topographic gravity waves are excited and superimposed on the Kelvin waves, thereby producing large temperature variations over these regions. The mountainous region of the Indonesian Maritime Continent is a favorable location for large temperature variations in the TTL.
Coordination Chemistry and Applications of Phenolic Homooxa‐ and Homoazacalixarene–Metal Complexes
Authors: Marcos Paula M. , Cragg Peter J.
Published: September 2016

Heteracalixarenes are members of the calixarene family in which heteroatoms such as oxygen, nitrogen, sulfur, selenium, or silicon are inserted between the methylene bridges or replace them entirely. The incorporation of heteroatoms affects the metal binding affinities of these calixarenes over their all‐carbon analogues, through the abilities of the heteroatoms both to bind directly and to influence lower rim phenolic binding. This chapter covers the literature concerning phenolic homooxa‐ and homoazacalixarene‐metal complexes mainly for the last two decades (1994–2014). The syntheses of homooxa‐ and homoazacalixarenes containing free OH groups at the lower rim are described and their coordination chemistry towards alkali, alkaline earth, transition, heavy, lanthanide and actinide metals is discussed. Examples of crystal structures of these metal complexes are given, as well as brief descriptions of their applications in fields such as catalysis, and metal cation extraction and transport.
Archetypal NOTCH3 mutations frequent in public exome: implications for CADASIL
Authors: Rutten Julie W. , Dauwerse Hans G. , Gravesteijn Gido , van Belzen Martine J. , van der Grond Jeroen , Polke James M. , Bernal‐Quiros Manuel , Lesnik Oberstein Saskia A. J.
Published: September 2016

Objective

To determine the frequency of distinctive EGFr cysteine altering NOTCH3 mutations in the 60,706 exomes of the exome aggregation consortium (ExAC) database.

Methods

ExAC was queried for mutations distinctive for cerebral autosomal dominant arteriopathy with subcortical infarcts and leukoencephalopathy (CADASIL), namely mutations leading to a cysteine amino acid change in one of the 34 EGFr domains of NOTCH3. The genotype‐phenotype correlation predicted by the ExAC data was tested in an independent cohort of Dutch CADASIL patients using quantified MRI lesions. The Dutch CADASIL registry was probed for paucisymptomatic individuals older than 70 years.

Results

We identified 206 EGFr cysteine altering NOTCH3 mutations in ExAC, with a total prevalence of 3.4/1000. More than half of the distinct mutations have been previously reported in CADASIL patients. Despite the clear overlap, the mutation distribution in ExAC differs from that in reported CADASIL patients, as mutations in ExAC are predominantly located outside of EGFr domains 1–6. In an independent Dutch CADASIL cohort, we found that patients with a mutation in EGFr domains 7–34 have a significantly lower MRI lesion load than patients with a mutation in EGFr domains 1–6.

Interpretation

The frequency of EGFr cysteine altering NOTCH3 mutations is 100‐fold higher than expected based on estimates of CADASIL prevalence. This challenges the current CADASIL disease paradigm, and suggests that certain mutations may more frequently cause a much milder phenotype, which may even go clinically unrecognized. Our data suggest that individuals with a mutation located in EGFr domains 1–6 are predisposed to the more severe “classical” CADASIL phenotype, whereas individuals with a mutation outside of EGFr domains 1–6 can remain paucisymptomatic well into their eighth decade.
Tunable Nanoparticle and Cell Assembly Using Combined Self‐Powered Microfluidics and Microcontact Printing
Authors: Hamon Cyrille , Henriksen‐Lacey Malou , La Porta Andrea , Rosique Melania , Langer Judith , Scarabelli Leonardo , Montes Ana Belén Serrano , González‐Rubio Guillermo , de Pancorbo Marian M. , Liz‐Marzán Luis M. , Basabe‐Desmonts Lourdes
Published: September 2016

The combination of cell microenvironment control and real‐time monitoring of cell signaling events can provide key biological information. Through precise multipatterning of gold nanoparticles (GNPs) around cells, sensing and actuating elements can be introduced in the cells' microenviroment, providing a powerful substrate for cell studies. In this work, a combination of techniques are implemented to engineer complex substrates for cell studies. Alternating GNPs and bioactive areas are created with micrometer separation by means of a combination of vacumm soft‐lithography of GNPs and protein microcontract printing. Instead of conventional microfluidics that need syringe pumps to flow liquid in the microchannels, degas driven flow is used to fill dead‐end channels with GNP solutions, rendering the fabrication process straightforward and accessible. This new combined technique is called Printing and Vacuum lithography (PnV lithography). By using different GNPs with various organic coating ligands, different macroscale patterns are obtained, such as wires, supercrystals, and uniformly spread nanoparticle layers that can find different applications depending on the need of the user. The application of the system is tested to pattern a range of mammalian cell lines and obtain readouts on cell viability, cell morphology, and the presence of cell adhesive proteins.
All‐in‐One Theranostic Nanoplatform Based on Hollow TaOx for Chelator‐Free Labeling Imaging, Drug Delivery, and Synergistically Enhanced Radiotherapy
Authors: Song Guosheng , Chao Yu , Chen Yuyan , Liang Chao , Yi Xuan , Yang Guangbao , Yang Kai , Cheng Liang , Zhang Qiao , Liu Zhuang
Published: September 2016

Despite extensive use of radiotherapy in cancer treatment, there has been huge demand to improve its efficacy and accuracy in tumor destruction. To this end, nanoparticle‐based radiosensitizers, particularly those with high‐Z elements, have been explored to enhance radiotherapy. Meanwhile, imaging is an essential tool prior to the individual planning of precise radiotherapy. Here, hollow tantalum oxide (H‐TaOx) nanoshells are prepared using a one‐pot template‐free method and then modified with polyethylene glycol (PEG), yielding H‐TaOx‐PEG nanoshells for imaging‐guided synergistically enhanced radiotherapy. H‐TaOx‐PEG nanoshells show strong intrinsic binding with metal ions such as Fe3+ and 99mTc4+ upon simple mixing, enabling magnetic resonance imaging and single photon emission computed tomography imaging, respectively, which are able to track in vivo distribution of those nanoshells and locate the tumor. With mesoporous shells and large cavities, those H‐TaOx‐PEG nanoshells show efficient loading of 7‐ethyl‐10‐hydroxycamptothecin (SN‐38), a hydrophobic chemotherapeutic drug. By means of the radiosensitization effect of Ta to deposit X‐ray energy inside tumors, as well as SN‐38‐induced cell cycle arrest into radiation‐sensitive phases, H‐TaOx‐PEG@SN‐38 can offer remarkable synergistic therapeutic outcome in the combined chemoradiotherapy. Without appreciable systemic toxicity, such hollow‐TaOx nanostructure may therefore find promising applications in multimodal imaging and enhanced cancer radiotherapy.
Graphene Glass from Direct CVD Routes: Production and Applications
Authors: Sun Jingyu , Chen Yubin , Priydarshi Manish Kr. , Gao Teng , Song Xiuju , Zhang Yanfeng , Liu Zhongfan
Published: September 2016

Recently, direct chemical vapor deposition (CVD) growth of graphene on various types of glasses has emerged as a promising route to produce graphene glass, with advantages such as tunable quality, excellent film uniformity and potential scalability. Crucial to the performance of this graphene‐coated glass is that the outstanding properties of graphene are fully retained for endowing glass with new surface characteristics, making direct‐CVD‐derived graphene glass versatile enough for developing various applications for daily life. Herein, recent advances in the synthesis of graphene glass, particularly via direct CVD approaches, are presented. Key applications of such graphene materials in transparent conductors, smart windows, simple heating devices, solar‐cell electrodes, cell culture medium, and water harvesters are also highlighted.
Agricultural Supply Management and Market Power: Evidence from the U.S. Dairy and Potato Industries
Authors: Bolotova Yuliya V.
Published: September 2016

Agricultural over‐supply, increasing output price volatility, and producers’ returns below production costs were the economic forces that influenced the decision of the organizations of agricultural producers in the U.S. dairy and potato industries to implement agricultural supply management programs. Using a theoretical framework, this research evaluates potential seller market power of agricultural cooperatives implementing agricultural supply management practices at the farm‐gate level. A theoretical analysis is conducted by comparing agricultural cooperatives with classic cartels. Available empirical evidence on the effects of agricultural supply management programs in the U.S. dairy and potato industries is discussed. [EconLit citations: L1, L2, Q13].
Periodic reactive flow simulation: Proof of concept for steam cracking coils
Authors: Van Cauwenberge David J. , Vandewalle Laurien A. , Reyniers Pieter A. , Van Geem Kevin M. , Marin Guy B. , Floré Jens
Published: September 2016

Streamwise periodic boundary conditions (SPBCs) have been successful in reducing the computational cost of simulating high aspect ratio processes. Extending beyond the classic assumptions of constant property flows, a novel approach incorporating non‐equilibrium kinetics was developed and implemented for the simulation of an industrial propane steam cracker. Comparison with non‐periodic benchmarks provided validation as relative errors on the main product yields were consistently below 1% for different reactor configurations. A further order‐of‐magnitude reduction of the radial errors on product concentrations was obtained via an intuitive correction method based on the concept of local fluid age. The computational speedup achieved through application of SPBCs was a factor 16–250 compared to the non‐periodic simulations. The presented methodology thus serves as a quick screening tool for the development of novel reactor designs and unlocks the potential for using more elaborate kinetic models or a more fundamental approach toward turbulence modeling. © 2016 American Institute of Chemical Engineers AIChE J, 63: 1715–1726, 2017
First evidence of Smith–Magenis syndrome in mother and daughter due to a novel RAI mutation
Authors: Acquaviva Fabio , Sana Maria Elena , Della Monica Matteo , Pinelli Michele , Postorivo Diana , Fontana Paolo , Falco Maria Teresa , Nardone Anna Maria , Lonardo Fortunato , Iascone Maria , Scarano Gioacchino
Published: September 2016

Smith–Magenis syndrome (SMS) is a complex genetic disorder caused by interstitial 17p11.2 deletions encompassing multiple genes, including the retinoic acid induced 1 gene—RAI1—or mutations in RAI1 itself. The clinical spectrum includes developmental delay, cognitive impairment, and behavioral abnormalities, with distinctive physical features that become more evident with age. No patients have been reported to have had offspring. We here describe a girl with developmental delay, mainly compromising the speech area, and her mother with mild intellectual disabilities and minor dysmorphic features. Both had sleep disturbance and attention deficit disorder, but no other atypical behaviors have been reported. In both, CGH‐array analysis detected a 15q13.3 interstitial duplication, encompassing CHRNA7. However, the same duplication has been observed in several, apparently healthy, maternal relatives. We, thus, performed a whole exome sequencing analysis, which detected a frameshift mutation in RAI1, de novo in the mother, and transmitted to her daughter. No other family members carried this mutation. This is the first report of an SMS patient having offspring. Our experience confirms the importance of searching for alternative causative genetic mechanisms in case of confounding/inconclusive findings such as a CGH‐array result of uncertain significance. © 2016 Wiley Periodicals, Inc.
Mutation analysis of FGFR1‐3 in 11 Japanese patients with syndromic craniosynostoses
Authors: Ohishi Akira , Nishimura Gen , Kato Fumiko , Ono Hiroyuki , Maruwaka Kaori , Ago Mako , Suzumura Hiroshi , Hirose Etsuko , Uchida Yuki , Fukami Maki , Ogata Tsutomu
Published: September 2016

Syndromic craniosynostoses usually occur as single gene disorders. In this study, we analyzed FGFR1‐3 genes in four patients with Crouzon syndrome (CS), four patients with Pfeiffer syndrome type 2 (PS‐2), one patient with Jackson–Weiss syndrome (JWS), and two patients (sisters) with Muenke syndrome (MS). FGFR2 and FGFR3 mutations were identified in 10 of the 11 patients. Notably, we found a novel FGFR2 p.Asn549Thr mutation in a patient with CS, and a novel FGFR2 p.Ser347Cys mutation in a patient with JWS (thus, this patient was turned out to have an FGFR2‐related PS‐variant). We also identified an FGFR2 p.Ser252Leu mutation in a phenotypically normal father of a daughter with CS, and an FGFR3 p.Pro250Arg mutation in a mildly macrocephalic father of sisters with MS. These findings, together with previous data, imply that the same FGFR2 mutations can be associated with a wide range of phenotypes including clinically different forms of syndromic craniosynostosis and apparently normal phenotype, depending on other (epi)genetic and environmental factors. Thus, genetic studies are recommended not only for obviously affected individuals but also for family members with apparently normal phenotype or non‐specific subtle abnormal phenotype, to allow for pertinent genetic counseling. © 2016 Wiley Periodicals, Inc.
Recognition of 1,3‐Butadiene by a Porous Coordination Polymer
Authors: Kishida Keisuke , Okumura Yoshikuni , Watanabe Yoshihiro , Mukoyoshi Megumi , Bracco Silvia , Comotti Angiolina , Sozzani Piero , Horike Satoshi , Kitagawa Susumu
Published: September 2016

The separation of 1,3‐butadiene from C4 hydrocarbon mixtures is imperative for the production of synthetic rubbers, and there is a need for a more economical separation method, such as a pressure swing adsorption process. With regard to adsorbents that enable C4 gas separation, [Zn(NO2ip)(dpe)]n (SD‐65; NO2ip=5‐nitroisophthalate, dpe=1,2‐di(4‐pyridyl)ethylene) is a promising porous material because of its structural flexibility and restricted voids, which provide unique guest‐responsive accommodation. The 1,3‐butadiene‐selective sorption profile of SD‐65 was elucidated by adsorption isotherms, in situ PXRD, and SSNMR studies and was further investigated by multigas separation and adsorption–desorption‐cycle experiments for its application to separation technology.
Effect of coagulation conditions on solvent diffusions and the structures and tensile properties of solution spun polyacrylonitrile fibers
Authors: Hao Jian , An Feng , Yu Yuxiu , Zhou Pucha , Liu Yaodong , Lu Chunxiang
Published: September 2016

Polyacrylonitrile (PAN) fibers were spun by solution spinning. In this work, two coagulation compositions, dimethyl sulfoxide (DMSO)/water and methanol, were used, and coagulation temperatures were varied from −20 to 0 to 20 °C. The coagulation compositions and temperatures strongly affected the solvent diffusion processes, the structures of as‐spun fibers, and the tensile properties of final drawn fibers. When DMSO/water was used as coagulation bath, non‐solvent (water) diffused into PAN fibers and led to a quick PAN solidification. By comparison, when methanol was used as coagulation bath, no or minimal amount of methanol diffused inward to the fibers. The different solvent diffusion behaviors in DMSO/water and methanol baths led to different structures of as‐spun PAN fibers. It was observed that the tensile properties of final drawn fibers strongly depended on the coagulation conditions. When methanol was used as coagulation bath and the bath temperature was −20 °C, PAN fibers was found to possess the best tensile properties, a tensile strength of 0.89 GPa and young modulus of 20.4 GPa. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44390.
Surface modification of hollow glass microsphere with different coupling agents for potential applications in phenolic syntactic foams
Authors: Huang Chi , Huang Zhixiong , Lv Xuesong , Zhang Guangwu , Wang Qiong , Wang Bo
Published: September 2016

Modified hollow glass microsphere (HGM) particles have been prepared by surface treatment. Coupling agents such as γ‐aminopropyltriethoxysilane (APTES), di(dioctylpyrophosphato) ethylene titanate (NDZ‐311), and glutaraldehyde (GA) were used as modifiers to improve the hydrophobicity of HGM. Compared with pristine HGM, the modified HGM, especially the particles coupled with APTES‐GA, show better properties on flexural strength, fracture toughness, and dynamic mechanical properties of phenolic syntactic foams. It is revealed that the coupling agent coating layer grafted onto the surface of HGM reduces the polarity of particles, avoiding agglomeration of HGM in phenolic matrix and exhibiting good interfacial interaction between HGM and phenolic matrix. The remarkable improvement of interfacial adhesion between APTES‐GA modified HGM and phenolic matrix is mainly due to the covalent linkage with phenolic resin while the physical entanglement of molecular chains dominates the linkage between other modified HGM and phenolic matrix. APTES‐GA treatment is a more appropriate surface modification method for inorganic particle reinforced phenolic matrix composites. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44415.
The effect of change of ionomer/polyol molar ratio on dispersion stability and crystalline structure of films produced from hydrophilic polyurethanes
Authors: Senevirathna Sandhya Rani , Amarasinghe Shantha , Karunaratne Veranja , Koneswaran Masilamani , Karunanayake Laleen
Published: September 2016

In this study, we report the effect of the DMPA/PTHF molar ratio on dispersion properties of the MDI‐based hydrophilic polyurethane dispersions. In addition, the effect of the DMPA/PTHF molar ratio on the crystallinity and thermal properties of the polyurethane films prepared from dispersions are also discussed. The variation in stability was studied using a particle size analyzer. DSC and XRD analyses were used to study variations in crystallinity of films with the change of DMPA/PTHF molar ratio. FT‐IR spectra were used to monitor the formation of hydrogen bonds through urethane linkages to produce hard‐segment crystalline areas. The zeta potential increased with the increase of DMPA/PTHF molar ratio (hard‐segment content), while particle size of polyurethane particles decreased. Hence, the stability of dispersions was increased with DMPA/PTHF molar ratio due to the increase of hydrophilicity in polymer chain. Crystallinity of the films was increased with DMPA/PTHF molar ratio due to the increase of interchain interactions through Coulombic interactions and hydrogen bonding. Consequently, crystalline melting temperature was increased with the increase of DMPA/PTHF molar ratio. However, molten films formed crystalline soft segments instead of crystalline hard segments during slow cooling. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44475.
Strategic evacuation planning with pedestrian guidance and bus routing: a mixed integer programming model and heuristic solution
Authors: Heydar Mojtaba , Yu Jie , Liu Yue , Petering Matthew E. H.
Published: September 2016

This paper presents a mathematical model to plan emergencies in a densely populated urban zone where a certain numbers of pedestrians depend on transit for evacuation. The proposed model features an integrated operational framework, which simultaneously guides evacuees through urban streets and crosswalks (referred to as “the pedestrian network”) to designated pickup points (e.g., bus stops), and routes a fleet of buses at different depots to those pick‐up points and transports evacuees to their destinations or safe places. In this level, the buses are routed through the so‐called “vehicular network.” An integrated mixed integer linear program that can effectively take into account the interactions between the aforementioned two networks is formulated to find the maximal evacuation efficiency in two networks. Because the large instances of the proposed model are mathematically difficult to solve to optimality, a two‐stage heuristic is developed to solve larger instances of the model. Results from hundreds of numerical examples analysis indicate that proposed heuristic works well in providing (near) optimal or feasibly good solutions for medium‐scale to large‐scale instances that may arise in real transit‐based evacuation situations in a much shorter amount of computational time compared with cplex (can find optimal/feasible solutions for only five instances within 3 hours of running). Copyright © 2016 John Wiley & Sons, Ltd.
A decomposition approach to determining fleet size and structure with network flow effects and demand uncertainty
Authors: Wang Yu , Zhu Jinfu , Sun Hong
Published: September 2016

This paper presents a new methodology to determine fleet size and structure for those airlines operating on hub‐and‐spoke networks. The methodology highlights the impact of stochastic traffic network flow effects on fleet planning process and is employed to construct an enhanced revenue model by incorporating the expected revenue optimization model into fleet planning process. The objective of the model is to find a feasible allocation of aircraft fleet types to route legs using minimum fleet purchasing cost, thus ensuring that the expected fleet profit is maximized subject to several critical resource constraints. By using a linear approximation to the total network revenue function, the fleet planning model with enhanced revenue modeling is decomposed into the nonlinear aspects of expected revenue optimization and the linear aspects of determining fleet size and structure by optimal allocation of aircraft fleet types to route legs. To illustrate this methodology and its economic benefits, an example consisting of 6 chosen aircraft fleet types, 12 route legs, and 57 path‐specific origin‐destination markets is presented and compared with the results found using revenue prorated fleet planning formulation. The results show that the fleet size and structure of the methodology proposed in this paper gain 211.4% improvement in fleet profit over the use of the revenue prorated fleet planning approach. In addition, comparison with the deterministic model reveals that the fleet size and structure of this proposed methodology are more adaptable to the fluctuations of passenger demands. Copyright © 2016 John Wiley & Sons, Ltd.
Orbitofrontal cortical thinning and aggression in mild traumatic brain injury patients
Authors: Epstein Daniel J. , Legarreta Margaret , Bueler Elliot , King Jace , McGlade Erin , Yurgelun‐Todd Deborah
Published: September 2016

Introduction

Although mild traumatic brain injury (mTBI) comprises 80% of all TBI, the morphological examination of the orbitofrontal cortex (OFC) in relation to clinical symptoms such as aggression, anxiety and depression in a strictly mTBI sample has never before been performed.

Objectives

The primary objective of the study was to determine if mTBI patients would show morphological differences in the OFC and if the morphology of this region would relate to clinical symptoms.

Methods

Using structural images acquired in a 3T MRI machine, the cortical thickness and cortical volume (corrected for total brain volume) of the OFC was collected for healthy control (N = 27) subjects and chronic mTBI (N = 55) patients at least one year post injury. Also, during clinical interviews, measures quantifying the severity of clinical symptoms, including aggression, anxiety, and depression, were collected.

Results

MTBI subjects displayed increased aggression, anxiety, and depression, and anxiety and depression measures showed a relationship with the number of mTBI in which the subject lost consciousness. The cortical thickness of the right lateral OFC displayed evidence of thinning in the mTBI group; however, after correction for multiple comparisons, this difference was no longer significant. Clinical measures were not significantly related with OFC morphometry.

Conclusion

This study found increased aggression, anxiety, and depression, in the mTBI group as well as evidence of cortical thinning in the right lateral OFC. The association between clinical symptoms and the number of mTBI with loss of consciousness suggests the number and severity of mTBI may influence clinical symptoms long after injury. Future studies examining other brain regions involved in the production and regulation of affective processes and inclusion of subjects with well‐characterized mood disorders could further elucidate the relationship between mTBI, brain morphology, and clinical symptoms.
New Feedstocks and Chemistry for Lower CO2‐Footprint: Today, Tomorrow, and in the Future
Authors: Mleczko Leslaw , Wolf Aurel , Lolli Giulio
Published: September 2016

Industrial research targets the reduction of CO2 footprint by means of renewable feedstocks. Three different topics are addressed: the use of the biomass as feedstock for fuels and chemicals, utilization of carbon dioxide as feedstock in the polymer industry, and finally, a concept to apply renewable energy in combination with carbon dioxide to make intermediates for chemical synthesis. These examples have been selected in order to illustrate that the strategic change of feedstocks has to be addressed on different time scales, necessity for the multidisciplinary approach, and the enabling role of catalysis.
Selective and effective targeting of chronic myeloid leukemia stem cells by topoisomerase II inhibitor etoposide in combination with imatinib mesylate in vitro
Authors: Liu Man‐Yu , Wang Wei‐Zhang , Liao Fen‐Fang , Wu Qing‐Qing , Lin Xiang‐Hua , Chen Yong‐Hen , Cheng Lin , Jin Xiao‐Bao , Zhu Jia‐Yong
Published: September 2016

Imatinib mesylate (IM) and other BCR‐ABL tyrosine kinase inhibitors (TKIs) have improved chronic myeloid leukemia (CML) patient survival markedly but fail to eradicate quiescent CML leukemia stem cells (LSCs). Thus, strategies targeting LSCs are required to induce long‐term remission and achieve cure. Here, we investigated the ability of topoisomerase II (Top II) inhibitor etoposide (Eto) to target CML LSCs. Treatment with Eto combined with IM markedly induced apoptosis in primitive CML CD34+CD38− stem cells resistant to eradication by IM alone, but not in normal hematopoietic stem cells, CML and normal mature CD34− cells, and other leukemia and lymphoma cell lines. The interaction of IM and Eto significantly inhibited phosphorylation of PDK1, AKT, GSK3, S6, and ERK proteins; increased the expression of pro‐apoptotic gene Bax; and decreased the expression of anti‐apoptotic gene c‐Myc in CML CD34+ cells. Top II inhibitors treatment represents an attractive approach for targeting LSCs in CML patients undergoing TKIs monotherapy.
A Ferrocenyl‐Benzo‐Fused Imidazolylidene Complex of Ruthenium as Redox‐Switchable Catalyst for the Transfer Hydrogenation of Ketones and Imines
Authors: Ibáñez Susana , Poyatos Macarena , Peris Eduardo
Published: September 2016

A ferrocenyl‐benzo‐fused imidazolylidene complex of RuII was prepared and fully characterized. In the presence of acetylferrocenium tetrafluoroborate this complex can be oxidized to generate a complex with a cationic ligand. The neutral complex can be recovered by reducing the oxidized cationic compound with cobaltocene. The activity of the neutral and oxidized complexes was tested in the transfer hydrogenation of ketones and imines, using isopropyl alcohol as the hydrogen source. The neutral complex is very active in the reduction of all tested substrates, whereas the oxidized species shows low activity in the reduction of ketones. The rate of the reduction of hexaphenone could be modulated by addition of subsequent amounts of oxidant and reductant. The addition of acetylferrocenium tetrafluoroborate caused a decrease in the catalytic activity, whereas the addition of cobaltocene restored the activity. The catalytic activity shown by both catalysts in the reduction of N‐benzylideneaniline was similar.
Efficient Self‐Contained Photoacid Generator System Based on Photochromic Terarylenes
Authors: Li Ruiji , Nakashima Takuya , Kanazawa Rui , Galangau Olivier , Kawai Tsuyoshi
Published: September 2016

A series of highly sensitive neutral photoacid generators (PAGs) based on photochromic terarylenes was prepared. Like the example presented herein, these compounds show a subsequent thermal elimination of a Brønsted acid after a light‐triggered 6π‐electrocyclization, concomitant with the hexatriene aromatization. A novel type of molecular systems was developed, in which one thiazolyl moiety was replaced by a thienyl group. Depending on the solvents and on the nature of the acid source, the quantum yield (QY) for acid generation could reach up to 0.6. Comparative studies on the acid source clearly showed that aromatic leaving groups tend to extinguish the molecular system photoefficiency. A second type was also prepared, in which the nature of the hetero‐aromatic rings were identical to our previous example, but their sequence was modified. Therefore, a second level of improvement was achieved in nonpolar solvents, pushing the QY value up to 0.7. Finally, we demonstrated the mesylic acid‐releasing PAG as a photocatalyst in a chemically amplified positive resist system.
ChemInform Abstract: Crystallization of LiAlSiO4 Glass in Hydrothermal Environments at Gigapascal Pressures—Dense Hydrous Aluminosilicates.
Authors: Spektor Kristina , Fischer Andreas , Haeussermann Ulrich
Published: September 2016

Crystallization of the title glass is investigated in the presence of a large excess of water in the pressure range of 0.25—10 GPa and at temperatures from 200 to 600 °C by powder XRD, SEM, and IR spectroscopy.
ChemInform Abstract: Germanium‐Doped and Germanium/Nitrogen‐Codoped Carbon Nanotubes with Highly Enhanced Activity for Oxygen Reduction in Alkaline Medium.
Authors: Wang Fang , Liu Ziwu , Li Meng , Wang Quan‐De
Published: September 2016

The title nanotubes are prepared by chemical vapor deposition of a xylene or aniline solution of GeEt4 (2, 4 and 8 wt.%) using FeMo/Al2O3 as catalyst (quartz tube, 500→800 °C).
ChemInform Abstract: A Perovskite Electrocatalyst for Efficient Hydrogen Evolution Reaction.
Authors: Xu Xiaomin , Chen Yubo , Zhou Wei , Zhu Zhonghua , Su Chao , Liu Meilin , Shao Zongping
Published: September 2016

Polycrystalline A‐site Pr‐doped Prx (Ba0.5Sr0.5) 0.5Co0.8Fe0.2O3‐δ (x = 0—1) is prepared by reaction of the metal nitrates, EDTA, and citric acid in a 1(total metal ions):1:2 molar ratio (1.
ChemInform Abstract: Multivariate Synthesis of Tin Phosphide Nanoparticles: Temperature, Time, and Ligand Control of Size, Shape, and Crystal Structure.
Authors: Tallapally Venkatesham , Esteves Richard J Alan , Nahar Lamia , Arachchige Indika U.
Published: September 2016

Narrowly disperse rhombohedral Sn4P3 (I), hexagonal SnP (II), and trigonal Sn3P4 (III) nanoparticles (NPs) are prepared by size‐, shape‐, and phase‐controlled colloidal synthesis.
ChemInform Abstract: Asymmetric Alkylation or Silylation of (S)‐(‐)‐Diphenylprolinol‐Derived α‐Silylamide to Synthesize Optically Pure α‐Monosilyl or Bis(silyl) Amides.
Authors: Huang Zhenggang , Gao Lu , Song Zhenlei
Published: September 2016

The reaction of the (S)‐prolinol derivative (I) with alkyl and disilyl halides proceeds with high diastereoselectivity to give optically pure α‐monosilyl or bissilyl amides.
ChemInform Abstract: Gold‐Catalyzed Photoredox C(sp2) Cyclization: Formal Synthesis of (.+‐.)‐Triptolide.
Authors: Cannillo Alexandre , Schwantje Travis R. , Begin Maxime , Barabe Francis , Barriault Louis
Published: September 2016

The method is applied in the construction of compound (VI), a key intermediate in the total synthesis of (.+‐.)‐triptolide (VII).
ChemInform Abstract: Ligand‐Assisted Palladium(II)/(IV) Oxidation for sp3 C—H Fluorination.
Authors: Sun Huan , Zhang Yi , Chen Ping , Wu Yun‐Dong , Zhang Xinhao , Huang Yong
Published: September 2016

The palladium‐catalyzed fluorination of 3‐phenyl‐N‐(quinolin‐8‐yl)propanamide (I) proceeds readily in the presence of quinoxaline as a ligand.
ChemInform Abstract: UV Light‐Mediated Difunctionalization of Alkenes with CF3SO2Na: Synthesis of Trifluoromethyl Phenanthrene and Anthrone Derivatives.
Authors: Li Bing , Fan Dan , Yang Chao , Xia Wujiong
Published: September 2016

The benzophenone‐catalyzed photoreaction of α,β‐unsaturated ketones affords trifluoromethyl‐containing phenanthrenes, whilst the analogous anthraquinone‐catalyzed reaction of γ,δ‐unsaturated ketones gives rise to trifluoromethylated anthrone derivatives.
ChemInform Abstract: Z‐Selective (Cross‐)Dimerization of Terminal Alkynes Catalyzed by an Iron Complex.
Authors: Rivada‐Wheelaghan Orestes , Chakraborty Subrata , Shimon Linda J. W. , Ben‐David Yehoshoa , Milstein David
Published: September 2016

The homocoupling of terminal alkynes and a cross‐dimerization of aryl alkynes with ethynylsilane affords the corresponding enynes stereoselectively.
ChemInform Abstract: Alternative Protocol for the Synthesis of Symmetrical Dibenzyl Diselenides and Disulfides.
Authors: Panduranga Veladi , Prabhu Girish , Prabhu Basava , Panguluri Nageswara Rao , Sureshbabu Vommina V.
Published: September 2016

A one‐pot synthesis of the title compounds from the reaction of the corresponding benzyl alcohols with NaBH2Se3 and NaBH2S3 under mild conditions and short time, respectively, is described.
ChemInform Abstract: Unprecedented Oxidative Addition of Highly Active Manganese into the Oxygen—Sulfur Bond of Coumarin and Pyrone 4‐Tosylates.
Authors: Shin Ueon Sang , Joo Seong‐Ryu , Kim Seung‐Hoi
Published: September 2016

Organomanganese reagents (I) are unexpectedly prepared by the reaction of highly active manganese with tolylsulfonate derivatives.
ChemInform Abstract: A Systematic Study on the Cadiot—Chodkiewicz Cross Coupling Reaction for the Selective and Efficient Synthesis of Hetero‐diynes.
Authors: Chinta Bhavani Shankar , Baire Beeraiah
Published: September 2016

Unsymmetrical diynes are highly selectively and efficiently prepared by Cadiot—Chodkiewicz cross coupling reactions between various terminal alkynes and haloalkynes using water as green solvent.
ChemInform Abstract: Ruthenium‐Catalyzed Hydrogenation of Aromatic Amino Acids in Aqueous Solution.
Authors: Sun Bing , Suess‐Fink Georg
Published: September 2016

L‐phenylalanine and L‐phenylglycine are converted exclusively into the corresponding L‐cyclohexyl amino acids with retention of chirality and excellent selectivity.
ChemInform Abstract: Oxidative Esterification of Aromatic Aldehydes Using Polymer‐Supported Green Bromine.
Authors: Sridhar A. , Swarnalakshmi S. , Selvaraj M.
Published: September 2016

Alkyl benzoates are prepared by a facile, green one‐pot esterification of benzaldehydes using bromine supported on Amberlite IRA‐400 chloride resin as reusable catalyst.
ChemInform Abstract: Cyclic anti‐Azacarboxylation of 2‐Alkynylanilines with Carbon Dioxide.
Authors: Miao Bukeyan , Li Suhua , Li Gen , Ma Shengming
Published: September 2016

ZnEt2‐mediated cyclization reactions of 2‐alkynylanilines with CO2 provide a wide range of substituted indole‐3‐carboxylic acids.
ChemInform Abstract: Asymmetric [3 + 2] Cycloaddition of Donor—Acceptor Aziridines with Aldehydes via Carbon—Carbon Bond Cleavage.
Authors: Liao Yuting , Liu Xiaohua , Zhang Yu , Xu Yali , Xia Yong , Lin Lili , Feng Xiaoming
Published: September 2016

The protocol allows for the preparation of a broad range of cis‐1,3‐oxazolidines in high yields and with high enantiomeric excesses.
ChemInform Abstract: Palladium‐Catalyzed Highly Chemoselective Intramolecular C—H Aminocarbonylation of Phenethylamines to Six‐Membered Benzolactams.
Authors: Taneda Hiroshi , Inamoto Kiyofumi , Kondo Yoshinori
Published: September 2016

A selective intramolecular C—H aminocarbonylation of Br‐functionalized phenethylamines in the presence of carbon monoxide is achieved while leaving the C—Br bond intact to afford six‐membered benzolactams in moderate to high yields.
ChemInform Abstract: A Palladium‐Catalyzed Intramolecular Carbonylative Annulation Reaction for the Synthesis of 4,5‐Fused Tricyclic 2‐Quinolones.
Authors: Zhang Xiwu , Liu Haichao , Jia Yanxing
Published: September 2016

The title reaction of alkyne‐tethered N‐substituted o‐iodoanilines proceeds smoothly under mild conditions and exhibits exceptional tolerance to a variety of functional groups.
ChemInform Abstract: An Efficient Synthesis of Novel Pyridothieno‐Fused Thiazolo[3,2‐a]pyrimidinones via Pictet—Spengler Reaction.
Authors: Wang Dao‐Lin , Wang Dong , Yan Liang , Pan Guang‐Yu , Yang Jian‐Nan
Published: September 2016

Title compounds (V) are efficiently synthesized using a Pictet—Spengler reaction of key intermediate (III), which is obtained by condensation reaction of compound (I) with 3‐cyanopyridine‐2‐thione (II) via Thorpe—Ziegler isomerization, and aromatic aldehydes (IV) under sulfamic acid catalysis in good yields.
ChemInform Abstract: In situ Generation of Dihydropyridine for the Enantioselective Transfer Hydrogenation of 1,4‐Benzoxazines
Authors: Aillerie Alexandre , Gosset Cyrille , Dumont Clement , Skrzypczak Valentin , Champetter Philippe , Pellegrini Sylvain , Bousquet Till , Pelinski Lydie
Published: September 2016

leading to enantioenriched dihydrobenzoxazines
ChemInform Abstract: Camphor‐Derived Thioureas: Synthesis and Application in Asymmetric Kabachnik—Fields Reaction.
Authors: Reddy Pogula Sreekanth , Reddy Motakatla Venkata Krishna , Reddy Peddiahgari Vasu Govardhana
Published: September 2016

α‐Aminophosphonates (IV) are enantioselectively synthesized through a one‐pot three‐component Kabachnik—Fields reaction between pyrimidin‐4‐carbaldehyde (I), amines (II), and diphenylphosphite (III) catalyzed by an enantiopure camphor‐derived thiourea derivative.
ChemInform Abstract: Probing the Reactivity of H‐Phosphonate Derivatives for the Hydrophosphonylation of Various Alkenes and Alkynes under Free‐Radical Conditions.
Authors: Geant Pierre‐Yves , Mohamed Bemba Sidi , Perigaud Christian , Peyrottes Suzanne , Uttaro Jean‐Pierre , Mathe Christophe
Published: September 2016

Efficient hydrophosphonylation of various alkenes and alkynes is achieved under photoinduced free‐radical conditions using 2,2‐dimethoxy‐2‐phenylacetophenone as photoinitiator.
ChemInform Abstract: Steroids from the Rhizome of Anemarrhena asphodeloides and Their Cytotoxic Activities.
Authors: Sun Yu , Wu Jie , Sun Xue , Huang Xiaoxiao , Li Lingzhi , Liu Qingbo , Song ShaoJiang
Published: September 2016

Five new steroids, anemarrhena S1‐S5 (I)‐(V), are isolated from the rhizome of Anemarrhena asphodeloides together with seven known ones.
ChemInform Abstract: Antiinflammatory Effects of a Triterpene Glycoside from Fruit of Acanthopanax koreanum in LPS‐Induced RAW 264.7 Cells.
Authors: Kim Jung Eun , Lee Nam Ho
Published: September 2016

Glucopyranoside (I) is isolated from the fruit of Acanthopanax koreanum and shown to possess inhibitory effects on inflammatory mediators so that it could have a potential for use as an antiinflammatory agent.
ChemInform Abstract: Synthesis of Iron Chalcogenides from Single Source Precursors
Authors: Um‐e‐Habiba Um‐e‐Habiba , Badshah Amin , Hussain Raja Azadar
Published: September 2016

Review: 49 refs.
ChemInform Abstract: Ni‐Catalyzed Amination Reactions: An Overview
Authors: Marin Mario , Rama Raquel J. , Nicasio M. Carmen
Published: September 2016

Review: [66 refs.
ChemInform Abstract: Design, Synthesis, and Functionalization of Imidazoheterocycles
Authors: Bagdi Avik Kumar , Hajra Alakananda
Published: September 2016

Review: [41 refs.
ChemInform Abstract: Strategy for Molecular Design of Photochromic Diarylethenes Having Thermal Functionality
Authors: Kitagawa Daichi , Kobatake Seiya
Published: September 2016

Review: [31 refs.
ChemInform Abstract: Catalytic Enantioselective OFF ↔ ON Activation Processes Initiated by Hydrogen Transfer: Concepts and Challenges
Authors: Quintard Adrien , Rodriguez Jean
Published: September 2016

Review: [78 refs.
ChemInform Abstract: A Simple and Versatile Amide Directing Group for C—H Functionalizations
Authors: Zhu Ru‐Yi , Farmer Marcus E. , Chen Yan‐Qiao , Yu Jin‐Quan
Published: September 2016

Review: [81 refs.
ChemInform Abstract: Recent Developments in the Preparation of Carbohydrate Derivatives from Achiral Building Blocks by Using Aldolases
Authors: Busto Eduardo
Published: September 2016

Review: [35 refs.
ChemInform Abstract: Photoredox Catalysis in Organic Chemistry
Authors: Shaw Megan H. , Twilton Jack , MacMillan David W. C.
Published: September 2016

Review: [171 refs.
ChemInform Abstract: Recent Progress in Visible‐Light Photoredox‐Catalyzed Intermolecular 1,2‐Difunctionalization of Double Bonds via an ATRA‐Type Mechanism
Authors: Courant Thibaut , Masson Geraldine
Published: September 2016

Review: 38 refs + subrefs.
ChemInform Abstract: Progress in the Development of Lysine Methyltransferase SETD8 Inhibitors
Authors: Milite Ciro , Feoli Alessandra , Viviano Monica , Rescigno Donatella , Mai Antonello , Castellano Sabrina , Sbardella Gianluca
Published: September 2016

Review: [34 refs.
ChemInform Abstract: Super‐Resolution Fluorescent Materials: An Insight into Design and Bioimaging Applications
Authors: Yang Zhigang , Sharma Amit , Qi Jing , Peng Xiao , Lee Dong Yeop , Hu Rui , Lin Danying , Qu Junle , Kim Jong Seung
Published: September 2016

Review: 51 refs.
ChemInform Abstract: Low Bandgap Semiconducting Polymers for Polymeric Photovoltaics
Authors: Liu Chang , Wang Kai , Gong Xiong , Heeger Alan J.
Published: September 2016

Review: 141 refs.
ChemInform Abstract: Computational Chemistry to the Rescue: Modern Toolboxes for the Assignment of Complex Molecules by GIAO NMR Calculations
Authors: Grimblat Nicolas , Sarotti Ariel M.
Published: September 2016

Review: [35 refs.
ChemInform Abstract: Scanning Tunneling Microscopy at Elevated Pressure
Authors: Frenken Joost W. M.
Published: September 2016

Review: 78 refs.
CFD analysis of flow regimes in airlift reactor using Eulerian‐Lagrangian approach
Authors: Pawar Sanjay B.
Published: September 2016

The hydrodynamic aspects of the concentric tube airlift reactor have been studied using two‐phase CFD simulations with a Eulerian‐Lagrangian approach. The three‐dimensional CFD simulations are carried out with the experimental geometry of airlift reactor (H/D = 12) reported in the published literature. The standard k‐ϵ turbulence model is used with additional consideration of production and dissipation of buoyancy‐induced turbulence. Two different bubble size distributions (BSDs) and their Sauter mean diameters have been considered to represent the gas distribution at sparger in the reactor. This study shows that the BSD1 (1–5–10 mm) containing a high fraction of small bubbles (≤ 5 mm) represents the hydrodynamics of flows appropriately as compared to the BSD2 (5–10–15 mm) containing a high fraction of large bubbles (≥ 10 mm) or the single size bubble diameters (5.25 mm and 10 mm). Further, three regimes of operation such as no gas bubbles in the downcomer (regime I), stationary gas bubbles in the downcomer (regime II), and gas bubble recirculation from the downcomer section to the riser section (regime III), are verified using CFD simulations with Lagrangian particle tracking. Satisfactory agreement (within 15 % deviation) with the experimental data was observed for parameters such as the gas holdups in the riser and downcomer and the liquid circulation velocity in the flow regimes I and II for BSD1.