bluuebunny/crossref_metadata_2025_split huggingface dataset:
Multiscale dynamic modeling and simulation of a biorefinery
Authors: Ploch Tobias , Zhao Xiao , Hüser Jonathan , von Lieres Eric , Hannemann‐Tamás Ralf , Naumann Uwe , Wiechert Wolfgang , Mitsos Alexander , Noack Stephan 
Published: June 2019

AbstractA biorefinery comprises a variety of process steps to synthesize products from sustainable natural resources. Dynamic plant‐wide simulation enhances the process understanding, leads to improved cost efficiency and enables model‐based operation and control. It is thereby important for an increased competitiveness to conventional processes. To this end, we developed a Modelica library with replaceable building blocks that allow dynamic modeling of an entire biorefinery. For the microbial conversion step, we built on the dynamic flux balance analysis (DFBA) approach to formulate process models for the simulation of cellular metabolism under changing environmental conditions. The resulting system of differential‐algebraic equations with embedded optimization criteria (DAEO) is solved by a tailor‐made toolbox. In summary, our modeling framework comprises three major pillars: A Modelica library of dynamic unit operations, an easy‐to‐use interface to formulate DFBA process models and a DAEO toolbox that allows simulation with standard environments based on the Modelica modeling language. A biorefinery model for dynamic simulation of the OrganoCat pretreatment process and microbial conversion of the resulting feedstock by Corynebacterium glutamicum serves as case study to demonstrate its practical relevance.
Genetic engineering approaches to improve posttranslational modification of biopharmaceuticals in different production platforms
Authors: Amann Thomas , Schmieder Valerie , Faustrup Kildegaard Helene , Borth Nicole , Andersen Mikael Rørdam 
Published: June 2019

AbstractThe number of approved biopharmaceuticals, where product quality attributes remain of major importance, is increasing steadily. Within the available variety of expression hosts, the production of biopharmaceuticals faces diverse limitations with respect to posttranslational modifications (PTM), while different biopharmaceuticals demand different forms and specifications of PTMs for proper functionality. With the growing toolbox of genetic engineering technologies, it is now possible to address general as well as host‐ or biopharmaceutical‐specific product quality obstacles.In this review, we present diverse expression systems derived from mammalians, bacteria, yeast, plants, and insects as well as available genetic engineering tools. We focus on genes for knockout/knockdown and overexpression for meaningful approaches to improve biopharmaceutical PTMs and discuss their applicability as well as future trends in the field.
Bridging gaps in heart valve disease care: Opportunities for quality improvement
Authors: Brennan Matthew J. , Coylewright Megan , Ayo‐Vaughan Morenike , Ganesan Nelly 
Published: June 2019

AbstractIn January 2018, the Society of Cardiovascular and Angiography Interventions (SCAI) and Avalere Health (“Avalere”) launched the development of the Heart Valve Initiative to advance the identification and management of patients with heart valve disease. To define the priority gap areas in identification and management of valve disease, a formal environmental scan was conducted to uncover current and planned initiatives that might inform the development of the initiative and bring to light stakeholder activities that seek to address the target patient population. This document summarizes the methodology and key findings from the scan, which will inform the development of interventions, research questions, and quality measure concepts to consider. Understanding that quality improvement initiatives and evidence in cardiovascular care may evolve rapidly, this synopsis represents a snapshot of information gathered from February 2018 to May 2019.
Acute autoimmune myocarditis as a manifestation of Graves’ disease: A case report and review of the literature
Authors: Lancaster Scott T. , Koons Kirsten L , Lee Yoo Jin , Mazimba Sula , Kwon Younghoon 
Published: June 2019

AbstractAcute myocarditis and hyperthyroidism are common diseases that often present in young, otherwise healthy patients. Autoimmunity is central to the pathogenesis of both. Patients presenting with acute myocarditis should be screened for symptoms of hyperthyroidism, and physicians should consider screening for myocarditis in patients with hyperthyroidism and persistent cardiac symptoms.
A Pd(II)‐Functionalized Covalent Organic Framework for Catalytic Conjugate Additions of Arylboronic Acids to β,β‐Disubstituted Enones
Authors: Heintz Patrick M. , Schumacher Brian P. , Chen Minda , Huang Wenyu , Stanley Levi M. 
Published: June 2019

AbstractA palladium(II)‐functionalized covalent organic framework (Pd@TpBpy COF) constructed from 1,3,5‐triformylphloroglucinol (Tp) and [2,2′‐bipyridine]‐5,5′‐diamine (Bpy) is reported as a recyclable catalyst for conjugate additions in aqueous media. Additions of an array of stereoelectronically diverse arylboronic acid nucleophiles to β,β‐disubstituted enones form a variety of ketones containing benzylic all‐carbon quaternary centers in up to 92 % isolated yield. Studies on the recyclability of Pd@TpBpy COF show this catalyst remains active through at least 7 cycles and shows superior stability to related MOF catalysts with bipyridine linker units.
Extremely Active Ethylene Tetramerization Catalyst Avoiding the Use of Methylaluminoxane: [iPrN{P(C6H4‐p‐SiR3)2}2CrCl2]+[B(C6F5)4]−
Authors: Park Hee Soo , Kim Tae Hee , Baek Jun Won , Lee Hyun Ju , Kim Tae Jin , Ryu Ji Yeon , Lee Junseong , Lee Bun Yeoul 
Published: June 2019

AbstractSasol's original ethylene tetramerization catalyst requires the use of expensive MMAO, a low working temperature (∼60 °C), and generates polyethylene (PE) as a side product. In this study, we developed an upgraded catalytic system that successfully avoids the need for MMAO. [(PNP)CrCl2]+[B(C6F5)4]−‐type species was obtained from the reaction of CrCl3(THF)3, [PhN(H)Me2]+[B(C6F5)4]−, and iPrN[P(C6H4‐p‐Si(nBu)3)2]2 (2) as well as from simply reacting 2 with [CrCl2(NCCH3)4]+[B(C6F5)4]−. The bulky (nBu)3Si‐substituents play the crucial role of preventing the formation of the inactive [(PNP)2CrCl2]+[B(C6F5)4]−. The prepared [2‐CrCl2]+[B(C6F5)4]− combined with iBu3Al was extremely active (>4000 kg/g‐Cr/h), performed well at a high temperature of up to 90 °C, and generated a negligible amount of PE (0.03 wt%). Screening the performance with a series of iPrN[P(C6H4‐p‐SiR3)2]2 further supported that bulky R3Si‐substituents are crucial not only to achieve extremely high activities but also to minimize the generation of PE. Structure of a [(PNP)CrCl2]+[B(C6F5)4]− species was elucidated by X‐ray crystallography.
Sequential Assembly of Mutually Interactive Supramolecular Hydrogels and Fabrication of Multi‐Domain Materials
Authors: Piras Carmen C. , Smith David K. 
Published: June 2019

AbstractA two‐component self‐sorting hydrogel based on acylhydrazide and carboxylic acid derivatives of 1,3:2,4‐dibenzylidene‐d‐sorbitol (DBS‐CONHNH2 and DBS‐COOH) is reported. A heating–cooling cycle induces the self‐assembly of DBS‐CONHNH2, followed by the self‐assembly of DBS‐COOH induced by decreasing pH. Although the networks are formed sequentially, there is spectroscopic evidence of interactions between them, which impact on the mechanical properties and significantly enhance the ability of these low‐molecular‐weight gelators (LMWGs) to form gels when mixed. The DBS‐COOH network can be switched “off” and “on” within the two‐component gel through a pH change. By using a photo‐acid generator, the two‐component gel can be prepared combining the thermal trigger with photo‐irradiation. Photo‐patterned self‐assembly of DBS‐COOH within a pre‐formed DBS‐CONHNH2 gel under a mask yields spatially controlled multi‐domain gels. Different gel domains can have different functions, for example, controlling the rate of release of heparin incorporated into the gel, or directing gold nanoparticle assembly. Such photo‐patterned multi‐component hydrogels have potential applications in regenerative medicine or bio‐nano‐electronics.
Gold Sulfonium Benzylide Complexes Undergo Efficient Benzylidene Transfer to Alkenes
Authors: Carden Robert G. , Widenhoefer Ross A. 
Published: June 2019

AbstractThe gold sulfonium benzylide complexes [(P1)AuCHPh(SR1R2)]+ {B[3,5‐CF3C6H3]4}− [P1=P(tBu)2o‐biphenyl; R1, R2=‐(CH2)4‐ (1 a); R1=Et, R2=Ph (1 b); R1=R2=Ph (1 c)] were synthesized by reaction of the gold α‐chloro benzyl complex (P1)AuCHClPh with sodium tetrakis[3,5‐bis(trifluoromethyl)phenyl]borate and excess sulfide. Complexes 1 undergo efficient benzylidene transfer to alkenes and DMSO under mild conditions without external activation. Kinetic analysis of the reaction of 1 c with styrene was consistent with the intermediacy of the cationic gold benzylidene complex [(P1)AuCHPh]+ (I).
Study of Oxygen Vacancies on Different Facets of Anatase TiO2
Authors: Wu Yanan , Fu Yingyi , Zhang Li , Ren Yuanhang , Chen Xueying , Yue Bin , He Heyong 
Published: June 2019

Summary of main observation and conclusionAnatase TiO2 samples with different ratios of {101} to {001} facets were prepared with hydrothermal method and further treated under three specific calcination atmospheres (air, H2, N2). The characterization results indicate that {001} facets may generate more oxygen vacancies and more Ti3+ species than {101} facets.
Phenol Tautomerization Catalyzed by Acid‐Base Pairs in Lewis Acidic Beta Zeolites: A Computational Study
Authors: Deepankeaw Nutsara , Maihom Thana , Probst Michael , Prasertsab Anittha , Homlamai Kan , Sittiwong Jarinya , Limtrakul Jumras 
Published: June 2019

AbstractWe investigate the tautomerization of phenol catalyzed by acid‐base active pair sites in Lewis acidic Beta zeolites by means of density functional calculations using the M06‐L functional. An analysis of the catalytic mechanism shows that hafnium on the Beta zeolite causes the strongest absorption of phenol compared to zirconium, tin, and germanium. This can be rationalized by the highest delocalization of electron density between the Lewis site and the oxygen of phenol which can in turn be quantified by the perturbative E(2) stabilization energy. The reaction is assumed to proceed in two steps, the phenol O−H bond dissociation and the protonation of the intermediate to form the cyclohexa‐2,4‐dien‐1‐one product. The rate determining step is the first one with a free activation energy of 26.3, 25.0, 22.1 and 22.7 kcal mol−1 for Ge‐Beta, Sn‐Beta, Zr‐Beta, and Hf‐Beta zeolites, respectively. The turnover frequencies follow these reaction barriers. Hence, the intrinsic catalytic activity of the Lewis acidic Beta zeolites studied here is in the order of Hf‐Beta≈Zr‐Beta>Sn‐Beta> Ge‐Beta for the tautomerization of phenol.
The green spillover effect of green customer integration: Does internal integration matter?
Authors: Zhao Yunhui , Zhang Ningshuo , Feng Taiwen , Zhao Chuanli , Zhang Jianming 
Published: June 2019

AbstractAlthough the importance of green customer integration has been emphasized, previous findings on how green customer integration influences green product innovation are still inconsistent. To better understand the link between green customer integration and green product innovation, we divided green customer integration into two dimensions (i.e., green customer process integration and green customer information integration) and examine its green spillover effect. On the basis of the survey data from 176 Chinese manufacturers, we found that the impacts of two dimensions of green customer integration on green product innovation are mediated by quality of information sharing. Although both are significant, green customer process integration has a stronger effect on quality of information sharing than green customer information integration. In addition, internal integration positively moderates the relationship between quality of information sharing and green product innovation. Thus, this study helps to unpack the “black‐box” of how green customer integration influences green product innovation and offers a possible explanation for the previous inconsistent findings.
Water in Protic Ionic Liquids: Properties and Use of a New Class of Electrolytes for Energy‐Storage Devices
Authors: Stettner Timo , Gehrke Sascha , Ray Promit , Kirchner Barbara , Balducci Andrea 
Published: June 2019

AbstractIn this work, the properties of “water‐in‐PIL” (PIL=protic ionic liquid) electrolytes are reported based on 1‐butylpyrrolidinium bis(trifluoromethanesulfonyl)imide (PyrH4TFSI). Taking advantage of experimental and theoretical investigations, it is shown that the amount of water inside the electrolyte has a dramatic effect on the viscosity, conductivity, density, cation–anion interplay, and electrochemical stability of PyrH4TFSI. The impact of water on the properties of this ionic liquid also affects its use as an electrolyte for electrochemical double‐layer capacitors (EDLCs). It is shown that the presence of water improves the transport properties of PyrH4TFSI, with a beneficial effect on the capacitance retention of the devices in which these electrolytes are used. However, at the same time, water reduces the operative voltage of EDLCs containing this PIL as the electrolyte and, furthermore, it has a strong impact on the inactive components of these systems. To suppress this latter problem, and to realize EDLCs with high stability, the use of inactive components stable in aqueous environment appears necessary.
Positive Surface Pseudocapacitive Behavior‐Induced Fast and Large Li‐ion Storage in Mesoporous LiMnPO4@C Nanofibers
Authors: Yang Hao , Liu Jingyuan , Wang Xiaofei , Zhao Chengcheng , Wang Lina , Wang Yonggang , Xia Yongyao , Liu Tianxi 
Published: June 2019

AbstractOlivine‐structured LiMnPO4 (LMP) is an efficient Li+ host owing to its high theoretical energy density and thermal stability. However, its poor ionic and electronic conductivity severely hinder its practical application. Herein, one‐dimensional (1D) LMP@C nanofibers with in situ created 3D mesoporous architecture are reported and the charge‐storage behavior is addressed. Ultrafine LMP nanoparticles are homogeneously confined in the nanofibers with interconnected and exposed mesoporous intersections, facilitating the electronic/ionic transportation and retarding the pulverization/fracture of electrodes. Remarkably, the hierarchical construction promotes a certain degree of pseudocapacitive contribution. The diffusion‐controlled battery‐type and surface‐controlled capacitive faradaic redox processes act synergistically, giving new insights into Li‐ion storage cathode materials to reach the common goal of high energy density and power density simultaneously. The current separation technique suggests surface‐dominated pseudocapacitance as the major Li+ storage mechanism at high rates, which is regarded as an efficient way to improve the rate performance. Hence, the as‐prepared LMP@C nanofibers could deliver a high reversible capacity of 149.8 mAh g−1 with 92 % charge retention over 300 cycles at 0.2 C (1 C=171 mA g−1). Even at a high rate of 5 C, a capacity of 63.1 mAh g−1 is retained after 2000 cycles with an exceptional cyclic stability.
Drought and freezing vulnerability of the isolated hybrid aspen Populus x smithii relative to its parental species, P. tremuloides and P. grandidentata
Authors: Deacon Nicholas J. , Grossman Jake J. , Cavender‐Bares Jeannine 
Published: June 2019

AbstractAimWe assessed the vulnerability of an isolated, relictual Pleistocene hybrid aspen population of conservation interest (Populus x. smithii) and the nearest populations of its parent species (Populus grandidentata and Populus tremuloides) to springtime post‐bud break freezing and growing season drought stress. Response to these stressors in the three taxa was compared in terms of avoidance and tolerance.LocationNorth American Midwest; USA.MethodsUnique genets from the hybrid Niobrara River population and from the two parental populations were propagated in a common garden from rhizome cuttings. We tracked their phenology before and after bud break and measured their vulnerability to freezing (stem electrolyte leakage and leaf chlorophyll fluorescence) and to drought (stem hydraulic conductance, leaf osmotic potential, stomatal pore index, and gas exchange).ResultsPopulus grandidentata was slower to leaf out, showed lower vulnerability to stem freezing and drought‐induced cavitation, but exhibited a lower capacity to tolerate drought stress through leaf resistance traits compared to P. tremuloides. Hybrids were similar to P. grandidentata in their overwintering strategy, exhibiting later bud break, and in their higher resistance to stem freezing damage, but they were more similar to P. tremuloides in their higher vulnerability to drought‐induced cavitation. The hybrids shared various leaf‐level gas exchange traits with both parents. All aspens showed limited loss of leaf photosynthetic function following moderate freezing.Main ConclusionsThe Niobrara River hybrid population is vulnerable to drought due to its combination of inherited drought avoidance and tolerance traits. As climate changes, P. x smithii will likely suffer from increased drought stress, while being unaffected by frost during warmer springs. The two parental species contrast in their survival mechanisms in response to climatic stress, with P. tremuloides tending toward freezing tolerance but drought avoidance and P. grandidentata tending toward freezing avoidance and drought tolerance.
Impact of external odor on self‐grooming of lesser flat‐headed bats, Tylonycteris pachypus
Authors: Liang Jie , Yang Jian , Xie Huanwang , Peng Xingwen , He Xiangyang , Sun Yunxiao , Zhang Libiao 
Published: June 2019

AbstractGrooming is a common behavior of some mammals. Previous studies have shown that grooming is a means by which animals clean themselves, remove ectoparasites, and lower their body temperature. It is also involved in olfactory communication. Bats belong to the order Chiroptera and, like most mammals, are the natural host of many ectoparasites. Bat grooming, including licking and scratching, is one of the ways to reduce the adverse effects caused by ectoparasites. Bat grooming may also be induced by exogenous odor. In this study, we used lesser flat‐headed bats (Tylonycteris pachypus) to test the hypothesis that exogenous odor affects the self‐grooming behavior of bats. Results showed that external odor from distantly related species caused lesser flat‐headed bats to spend more time in self‐grooming. Lesser flat‐headed bats that received odor from humans spent the longest time in self‐grooming, followed by those that received odor from a different species of bats (T. robustula). Lesser flat‐headed bats that received odor form the same species of bats, either from the same or a different colony, spent the least amount of time in self‐grooming. These results suggest that bats can recognize conspecific and heterospecific through body scent.
Kelp beds and their local effects on seawater chemistry, productivity, and microbial communities
Authors: Pfister Catherine A. , Altabet Mark A. , Weigel Brooke L. 
Published: June 2019

AbstractKelp forests are known as key habitats for species diversity and macroalgal productivity; however, we know little about how these biogenic habitats interact with seawater chemistry and phototroph productivity in the water column. We examined kelp forest functions at three locales along the Olympic Peninsula of Washington state by quantifying carbonate chemistry, nutrient concentrations, phytoplankton productivity, and seawater microbial communities inside and outside of kelp beds dominated by the canopy kelp species Nereocystis luetkeana and Macrocystis pyrifera. Kelp beds locally increased the pH, oxygen, and aragonite saturation state of the seawater, but lowered seawater inorganic carbon content and total alkalinity. Although kelp beds depleted nitrate and phosphorus concentrations, ammonium and dissolved organic carbon (DOC) concentrations were enhanced. Kelp beds also decreased chlorophyll concentrations and carbon fixed by phytoplankton, although kelp carbon fixation more than compensated for any difference in phytoplankton production. Kelp beds entrained distinct microbial communities, with higher taxonomic and phylogenetic diversity compared to seawater outside of the kelp bed. Kelp forests thus had significant effects on seawater chemistry, productivity and the microbial assemblages in their proximity. Thereby, the diversity of pathways for carbon and nitrogen cycling was also enhanced. Overall, these observations suggest that the contribution of kelp forests to nearshore carbon and nitrogen cycling is greater than previously documented.
Detrital zircon U–Pb dating and Hf isotope study of late Palaeozoic sedimentary rocks in central–eastern Jilin Province, NE China: Constraints for tectonic evolution of the eastern segment of the Paleo‐Asian Ocean
Authors: Shi Chenglong , Ding Xiaozhong , Liu Yanxue , Zhou Xiaodong 
Published: June 2019

This paper reports in situ U–Pb ages and Hf isotopic data on detrital zircons from Palaeozoic strata in central‐eastern Jilin Province, NE China, with the aim of constraining the timing of final closure of the Paleo‐Asian Ocean and the tectonic evolution of the eastern segment of the Central Asian Orogenic Belt (CAOB). Zircons from Middle to Late Permian Fanjiatun and Yangjiagou formations in central Jilin Province are characterized by four major groups of age populations (2.5–2.3 Ga, 1.9–1.7 Ga, 1.3–1.0 Ga, and Late Palaeozoic ages). The Paleo‐Mesoproterozoic and Cambrian zircons have positive εHf(t)values, suggesting that the source was mainly locally derived from the CAOB, whereas a lesser amount of Archean zircons with positive εHf(t)values, indicating that source from the North China Craton (NCC). The Phanerozoic zircons have both positive and negative εHf(t)values indicates that material from bidirectional provenances in the CAOB and the NCC. However, Late Permian Kaishantun Formation in eastern Jilin Province contain a single group of Phanerozoic zircons with positive εHf(t)values, distinct from known igneous zircons in the NCC, suggesting a local source. These observations, along with the results of previous studies on Middle–Late Permian igneous rocks in Jilin Province, indicate that the eastern segment of the Paleo‐Asian Ocean underwent the initial closure in central Jilin Province during the Middle Permian and the final closure in eastern Jilin Province in the Late Permian–Early Triassic. The detrital zircon geochronological data clearly record two stages of tectonic evolution and the scissor‐like closure model of the Paleo‐Asian Ocean in the eastern segment of the CAOB.