bluuebunny/crossref_metadata_2025 huggingface dataset:
Three-dimensional simulation of a low-power microwave-excited microstrip plasma source
Authors: Tong Lizhu , Saito Keiichiro
Published: May 2016

A low-power microwave-excited argon microstrip plasma source operated at 2.45 GHz is studied by a three-dimensional fluid model. The electrodeless microwave-excited plasmas are produced in the gas channel with the gas pressures of 50 and 100 Torr at the input power of 2 W. Simulations are performed by the plasma module of COMSOL Multiphysics@. Results show that the electric field induced by the electromagnetic wave is concentrated in the neighborhood of the inner surface of gas channel under the microstrip line. The electromagnetic wave is restricted to transit from being propagating to evanescent in a very thin zone at which the electron density is equal to the critical density. The resonance zone is solved by adding an effective collision frequency to the momentum collision frequency. The governed ions are found to be atomic argon ions (Ar+) and molecular argon ions (Ar2
+) and the latter has a wider distribution. The three-body reactions to produce Ar2
+ ions become important at high gas pressures.
Reactive etching by ClF3–Ar neutral cluster beam with scanning
Authors: Seki Toshio , Yoshino Yu , Senoo Takehiko , Koike Kunihiko , Aoki Takaaki , Matsuo Jiro
Published: May 2016

A reactive gas cluster injection system with a scanning function was developed in order to increase the processing area. High-precision anisotropic etching with an aspect ratio of 7 was achieved for ClF3 cluster etching without scanning. However, with scanning, the aspect ratio for etching decreased to 1.5 because the side walls were etched by the gas retained in the trench. By reducing the source gas pressure, increasing the target distance, and mixing He in the source gas, anisotropic etching with an aspect ratio of about 6.3 was achieved with this apparatus.
Investigations of electrical transport properties of individual carbon nanotubes with nanoprober
Authors: Feng Wei , Hayama Kazumi , Akinaga Hiroyuki
Published: May 2016

We investigated and discussed quantitatively the transport properties of individual multiwalled (MW) carbon nanotubes (CNTs) by four-terminal measurement using a nanoprobing system. The homogeneity of the CNT was visibly examined using the electron beam absorbed current function of the nanoprober. The observed ohmic properties of the current–voltage characteristics and metallic transport properties of the CNTs proved that reliable contact of four probes was achieved on the outermost shell of MWCNTs. The experimental methodology was validated for the intrinsic properties of individual CNTs. Lower resistance per unit length was evaluated for thicker CNT. The measured resistance per unit length was lower than those reported by other researchers, but higher than ideally expected.
BioAssay Templates for the semantic web
Authors: Clark Alex M. , Litterman Nadia K. , Kranz Janice E. , Gund Peter , Gregory Kellan , Bunin Barry A.
Published: May 2016

Annotation of bioassay protocols using semantic web vocabulary is a way to make experiment descriptions machine-readable. Protocols are communicated using concise scientific English, which precludes most kinds of analysis by software algorithms. Given the availability of a sufficiently expressive ontology, some or all of the pertinent information can be captured by asserting a series of facts, expressed as semantic web triples (subject, predicate, object). With appropriate annotation, assays can be searched, clustered, tagged and evaluated in a multitude of ways, analogous to other segments of drug discovery informatics. The BioAssay Ontology (BAO) has been previously designed for this express purpose, and provides a layered hierarchy of meaningful terms which can be linked to. Currently the biggest challenge is the issue of content creation: scientists cannot be expected to use the BAO effectively without having access to software tools that make it straightforward to use the vocabulary in a canonical way. We have sought to remove this barrier by: (1) defining a BioAssay Template (BAT) data model; (2) creating a software tool for experts to create or modify templates to suit their needs; and (3) designing a common assay template (CAT) to leverage the most value from the BAO terms. The CAT was carefully assembled by biologists in order to find a balance between the maximum amount of information captured vs. low degrees of freedom in order to keep the user experience as simple as possible. The data format that we use for describing templates and corresponding annotations is the native format of the semantic web (RDF triples), and we demonstrate some of the ways that generated content can be meaningfully queried using the SPARQL language. We have made all of these materials available as open source (http://github.com/cdd/bioassay-template), in order to encourage community input and use within diverse projects, including but not limited to our own commercial electronic lab notebook products.
Mooring observations of equatorial currents in the upper 1000 m of the western Pacific Ocean during 2014
Authors: Wang Fan , Wang Jianing , Guan Cong , Ma Qiang , Zhang Dongxiao
Published: May 2016

Time‐depth variations of the equatorial currents over the upper 1000 m depth in the western Pacific Ocean were directly measured by acoustic Doppler current profiler moorings at 2°N, 140°E and 4.7°N, 140°E during January–August 2014. Intraseasonal variations of the equatorial currents, with periods of 37–73 days, were observed encompassing the North Equatorial Countercurrent (NECC), northern branch of the South Equatorial Current (SEC), Equatorial Undercurrent (EUC), Equatorial Intermediate Current (EIC), North Intermediate Countercurrent (NICC), and North Equatorial Subsurface Current (NESC). Compared with previous studies based mainly on shipboard synoptic surveys, the 8‐month time series of velocity profiles provided direct evidence for the existence of NESC, captured reversals of the EIC in May and the NESC in June from westward to eastward direction, and revealed larger vertical extensions of the SEC and NESC and greater depths of the EIC and NICC than previously thought. According to a global analysis product of ocean surface current, during January–April 2014, the NECC was located around its southernmost position and with its the weakest intensity over the past 20 years. Some of the anomalous characteristics of these flows may be related to the fickle El Niño of 2014.
Origin and dynamics of depositionary subduction margins
Authors: Vannucchi Paola , Morgan Jason P. , Silver Eli A. , Kluesner Jared W.
Published: May 2016

Here we propose a new framework for forearc evolution that focuses on the potential feedbacks between subduction tectonics, sedimentation, and geomorphology that take place during an extreme event of subduction erosion. These feedbacks can lead to the creation of a “depositionary forearc,” a forearc structure that extends the traditional division of forearcs into accretionary or erosive subduction margins by demonstrating a mode of rapid basin accretion during an erosive event at a subduction margin. A depositionary mode of forearc evolution occurs when terrigenous sediments are deposited directly on the forearc while it is being removed from below by subduction erosion. In the most extreme case, an entire forearc can be removed by a single subduction erosion event followed by depositionary replacement without involving transfer of sediments from the incoming plate. We need to further recognize that subduction forearcs are often shaped by interactions between slow, long‐term processes, and sudden extreme events reflecting the sudden influences of large‐scale morphological variations in the incoming plate. Both types of processes contribute to the large‐scale architecture of the forearc, with extreme events associated with a replacive depositionary mode that rapidly creates sections of a typical forearc margin. The persistent upward diversion of the megathrust is likely to affect its geometry, frictional nature, and hydrogeology. Therefore, the stresses along the fault and individual earthquake rupture characteristics are also expected to be more variable in these erosive systems than in systems with long‐lived megathrust surfaces.
Testing for supply‐limited and kinetic‐limited chemical erosion in field measurements of regolith production and chemical depletion
Authors: Ferrier Ken L. , Riebe Clifford S. , Jesse Hahm W.
Published: May 2016

Chemical erosion contributes solutes to oceans, influencing atmospheric CO2 and thus global climate via the greenhouse effect. Quantifying how chemical erosion rates vary with climate and tectonics is therefore vital to understanding feedbacks that have maintained Earth's environment within a habitable range over geologic time. If chemical erosion rates are strongly influenced by the availability of fresh minerals for dissolution, then there should be strong connections between climate, which is modulated by chemical erosion, and tectonic uplift, which supplies fresh minerals to Earth's surface. This condition, referred to as supply‐limited chemical erosion, implies strong tectonic control of chemical erosion rates. It differs from kinetic‐limited chemical erosion, in which dissolution kinetics and thus climatic factors are the dominant regulators of chemical erosion rates. Here we present a statistical method for determining whether chemical erosion of silicate‐rich bedrock is supply limited or kinetic limited, as an approach for revealing the relative importance of tectonics and climate in Earth's silicate weathering thermostat. We applied this method to published data sets of mineral supply rates and regolith chemical depletion and were unable to reject the null hypothesis that chemical erosion is supply limited in 8 of 16 cases. In seven of the remaining eight cases, we found behavior that is closer to supply limited than kinetic limited, suggesting that tectonics may often dominate over climate in regulating chemical erosion rates. However, statistical power analysis shows that new measurements across a wider range of supply rates are needed to help quantify feedbacks between climate and tectonics in Earth's long‐term climatic evolution.
An ongoing shift in Pacific Ocean sea level
Authors: Hamlington B. D. , Cheon S. H. , Thompson P. R. , Merrifield M. A. , Nerem R. S. , Leben R. R. , Kim K.‐Y.
Published: May 2016

Based on the satellite altimeter data, sea level off the west coast of the United States has increased over the past 5 years, while sea level in the western tropical Pacific has declined. Understanding whether this is a short‐term shift or the beginning of a longer‐term change in sea level has important implications for coastal planning efforts in the coming decades. Here, we identify and quantify the recent shift in Pacific Ocean sea level, and also seek to describe the variability in a manner consistent with recent descriptions of El Nino‐Southern Oscillation (ENSO) and particularly the Pacific Decadal Oscillation (PDO). More specifically, we extract two dominant modes of sea level variability, one related to the biennial oscillation associated with ENSO and the other representative of lower‐frequency variability with a strong signal in the northern Pacific. We rely on cyclostationary empirical orthogonal function (CSEOF) analysis along with sea level reconstructions to describe these modes and provide historical context for the recent sea level changes observed in the Pacific. As a result, we find that a shift in sea level has occurred in the Pacific Ocean over the past few years that will likely persist in the coming years, leading to substantially higher sea level off the west coast of the United States and lower sea level in the western tropical Pacific.
Association of Slow Gait Speed With Trajectories of Worsening Depressive Symptoms in Knee Osteoarthritis: An Observational Study
Authors: White Daniel K. , Neogi Tuhina , Zhang Yuqing , Niu Jingbo , Katz Patricia P.
Published: May 2016

Objective

To investigate the association of slow gait speed, defined as walking slower than is necessary for the community, with trajectories of depressive symptoms over 7 years among people with or at high risk of knee OA.

Methods

Using data from the Osteoarthritis Initiative, we described trajectories of depressive symptoms measured annually with the Center for Epidemiologic Studies Depression Scale. We categorized speed during a 20‐meter walk of <1.2 meters/second as slow gait speed. We used a group‐based method to agnostically identify homogeneous clusters of depressive symptom trajectories. We then examined the association of slow gait speed with depressive symptom trajectories, using multinomial logistic regression adjusted for potential confounders.

Results

From the 3,939 participants included (mean ± SD age 61.4 ± 9.2 years, body mass index 28.4 ± 4.7, 58% women, and 63% with a college degree), we identified 5 trajectories. The first 3 were stable over time and included 74% of the sample. The remainder had worsening depressive symptoms over time. Slow gait speed was associated with 2.1 times the odds of having the worst depressive symptoms trajectory compared to those without slow gait speed.

Conclusion

Slow gait speed may represent an important risk factor for worsening depressive symptoms over time in people with or at high risk of knee OA, and may signal the need for rehabilitation.
Association of Rheumatoid Factors With Subclinical and Clinical Atherosclerosis in African American Women: The Multiethnic Study of Atherosclerosis
Authors: Majka Darcy S. , Vu Thanh‐Huyen T. , Pope Richard M. , Teodorescu Marius , Karlson Elizabeth W. , Liu Kiang , Chang Rowland W.
Published: May 2016

Objective

Although the association between rheumatoid arthritis (RA) and cardiovascular disease (CVD) is established, the exact mechanism is unknown. We tested the hypothesis that RA‐related autoantibodies are independent risk factors for subclinical atherosclerosis and subsequent clinical CVD events.

Methods

The Multi‐Ethnic Study of Atherosclerosis (MESA) is a community‐based cohort study prospectively collecting CVD outcome and risk factor data in middle‐aged to elderly multiethnic participants since 2000. Rheumatoid factor (RF) and anti–cyclic citrullinated peptide antibodies (anti‐CCP2) by enzyme‐linked immunosorbent assay, and coronary artery calcium (CAC) by computed tomography, were measured at MESA baseline in 6,532 participants who were followed for 10.3 years for coronary heart disease (CHD) end points (myocardial infarction, cardiac arrest, CHD death) and CVD end points (included CHD end points, stroke, stroke death). Multivariable logistic regression and Cox regression assessed associations between RF/anti‐CCP and CAC or CVD end points.

Results

IgM RF, IgA RF, anti‐CCP, and either RF isotype predictors were positive in 15.8%, 8.7%, 2.0%, and 20.6%, respectively. A total of 12.2% had CAC ≥300, 7.1% had CHD end points, and 10.2% had CVD end points. IgA RF and anti‐CCP were associated with CAC ≥300 in African American women (odds ratio [OR] 2.4 [95% confidence interval (95% CI) 1.2–5.1] and OR 4.1 [95% CI 1.3–12.7], respectively). RA‐related autoantibodies were also associated with clinical CVD events in African American women (anti‐CCP: OR 5.3 [95% CI 2.4–12.0]; either RF isotype: OR 2.4 [95% CI 1.4–4.0]). There was a trend for association between autoantibodies and CAC in white women. No associations were found in men.

Conclusion

RA‐related autoantibodies are associated with subclinical and clinical atherosclerosis in African American women from a community‐based non‐RA cohort, indicating autoimmune factors may play a role in the pathogenesis of atherosclerosis.
Prevalence, Incidence, and Disease Characteristics of Takayasu Arteritis by Ethnic Background: Data From a Large, Population‐Based Cohort Resident in Southern Norway
Authors: Gudbrandsson Birgir , Molberg Øyvind , Garen Torhild , Palm Øyvind
Published: May 2016

Objective

To study the epidemiology and clinical characteristics of Takayasu arteritis (TAK) in southeast Norway (population 2.8 million).

Methods

All study area hospital databases were screened to capture every potential TAK case between 1999 and 2012. These cases were manually chart reviewed, and only patients fulfilling either the 1990 American College of Rheumatology classification or the 1995 Ishikawa diagnostic criteria were included.

Results

Inclusion criteria were met by 78 patients (68 female, 10 male). Point prevalence (by 2012) segregated by ethnic origin was 22.0 per 106 (95% confidence interval [95% CI] 17–29) in northern Europeans compared to 78.1 (95% CI 38–152) in Asian whites and 108.3 (95% CI 46–254) in Africans (P < 0.001). The incidence rate increased from 1 to 2 per 106 in the first to last 5‐year period of the study (P = 0.03). Northern Europeans were mean age 32.3 years at onset, and 47% had involvement confined to aortic arch branches (angiographic type I), while 24% had extensive type V disease. Mean onset age in Asian and African cases was 20.3 years and 47% had type V disease. Coexisting inflammatory bowel disease was observed in 8% and ankylosing spondylitis in 7%.

Conclusion

We report 2–4 times higher population prevalence than previously observed, and the highest prevalence ever found in Norwegians of Asian and African descent. The results support the idea that TAK in northern Europeans is marked by limited arterial involvement and older age at onset.
Factors Associated With Referral to Secondary Care in Patients With Osteoarthritis of the Hip or Knee After Implementation of a Stepped‐Care Strategy
Authors: Barten Di‐Janne J. A. , Smink Agnes , Swinkels Ilse C. S. , Veenhof Cindy , Schers Henk J. , Vliet Vlieland Thea , de Bakker Dinny H. , Dekker Joost , van den Ende Cornelia H. M.
Published: May 2016

Objective

We introduced a stepped‐care strategy (SCS) for hip and knee osteoarthritis, focusing on delivery of high‐quality stepped care. In this study, we aimed to identify factors associated with various steps of the SCS.

Methods

We used data from a 2‐year observational prospective cohort study, including 313 patients visiting their general practitioner (GP) with a new episode of hip/knee osteoarthritis. We used logistic multilevel analyses to identify factors at the level of the patient, the GP, and the general practice, related to treatment limited to primary care, referral to nonsurgical secondary care, or surgical procedures.

Results

Patients whose treatment had been limited to primary care tended to function physically better (odds ratio [OR] 1.03). Furthermore, they less often received exercise therapy (OR 0.46), intraarticular injections (OR 0.08), and radiologic assessments (OR 0.06). Continuation of nonsurgical care after referral was more likely in employed patients (OR 2.90) and patients who had no exercise therapy (OR 0.19) or nonsteroidal antiinflammatory drugs (OR 0.35). Surgically treated patients more often received exercise therapy (OR 7.42). Referral and surgical treatment depended only to a limited extent on the GP or the general practice.

Conclusion

After implementation of the SCS in primary care, the performance of exercise therapy, rather than disease severity or psychologic factors, seems to play a key role in the decision whether or not to refer for surgical or nonsurgical treatment in secondary care. To optimize patient‐tailored treatment, future research should be adressed to determine the optimal moment of switching from primary to secondary care in patients with hip/knee osteoarthritis.
Enhancing the Sensitivity of Percolative Graphene Films for Flexible and Transparent Pressure Sensor Arrays
Authors: Chen Zhuo , Ming Tian , Goulamaly Mahomed Mehdi , Yao Heming , Nezich Daniel , Hempel Marek , Hofmann Mario , Kong Jing
Published: May 2016

Flexible and transparent pressure sensor arrays can find applications in many places such as touch panels, artificial skin, or human motion detection. However, conventional strain gauges are rigid and opaque and are not suitable for such applications. Graphene‐based percolative strain gauges can overcome these challenges but currently are still in the infancy of their development. In this work, the performance of graphene‐based percolative strain gauges is investigated and guidelines to improve the durability and sensitivity of graphene films as sensing elements are developed. It is found that the gauge factor depends on the initial resistance of the graphene film. For the same film resistance, it is found that graphene flake size and film morphology also play a role in determining the gauge factor. Increasing the flake–flake resistance through assembly of surfactant molecules between graphene flakes provides an additional route to enhance the gauge factor. Furthermore, encapsulating the percolative film in micrometer‐thin Poly(methyl methacrylate) does not disrupt the sensing process but significantly improves the sensor's durability. Finally, thus enhanced graphene strain gauges are integrated into flexible and transparent pressure sensor arrays that exhibit high reproducibility and sensitivity.
Capacitance Characterization of Elastomeric Dielectrics for Applications in Intrinsically Stretchable Thin Film Transistors
Authors: Kong Desheng , Pfattner Raphael , Chortos Alex , Lu Chien , Hinckley Allison C. , Wang Chao , Lee Wen‐Ya , Chung Jong Won , Bao Zhenan
Published: May 2016

Stretchable electronics exhibit unique mechanical properties to expand the applications areas of conventional electronics based on rigid wafers. Intrinsically stretchable thin film transistor is an essential component for functional stretchable electronics, which presents a great opportunity to develop mechanically compliant electronic materials. Certain elastomers have been recently adopted as the gate dielectrics, but their dielectric properties have not been thoroughly investigated for such applications. Here, a charging measurement technique with a resistor–capacitor circuit is proposed to quantify the capacitance of the dielectric layers based on elastomers. As compared with conventional methods, the technique serves as a universal approach to extract the capacitance of various elastomers under static conditions, irrespective of the charging mechanisms. This technique also offers a facile approach to reliably quantify the mobility of thin film transistors based on elastomeric dielectrics, paving the way to utilize this class of dielectrics in the development of intrinsically stretchable transistors.
Fibrillar Elastomeric Micropatterns Create Tunable Adhesion Even to Rough Surfaces
Authors: Barreau Viktoriia , Hensel René , Guimard Nathalie K. , Ghatak Animangsu , McMeeking Robert M. , Arzt Eduard
Published: May 2016

Biologically inspired, fibrillar dry adhesives continue to attract much attention as they are instrumental for emerging applications and technologies. To date, the adhesion of micropatterned gecko‐inspired surfaces has predominantly been tested on stiff, smooth substrates. However, all natural and almost all artificial surfaces have roughnesses on one or more different length scales. In the present approach, micropillar‐patterned PDMS surfaces with superior adhesion to glass substrates with different roughnesses are designed and analyzed. The results reveal for the first time adhesive and nonadhesive states depending on the micropillar geometry relative to the surface roughness profile. The data obtained further demonstrate that, in the adhesive regime, fibrillar gecko‐inspired adhesive structures can be used with advantage on rough surfaces; this finding may open up new applications in the fields of robotics, biomedicine, and space exploration.
Fe3O4‐Decorated Co9S8 Nanoparticles In Situ Grown on Reduced Graphene Oxide: A New and Efficient Electrocatalyst for Oxygen Evolution Reaction
Authors: Yang Jing , Zhu Guoxing , Liu Yuanjun , Xia Jiexiang , Ji Zhenyuan , Shen Xiaoping , Wu Shikui
Published: May 2016

Cobalt sulfide materials have attracted enormous interest as low‐cost alternatives to noble‐metal catalysts capable of catalyzing both oxygen reduction and oxygen evolution reactions. Although recent advances have been achieved in the development of various cobalt sulfide composites to expedite their oxygen reduction reaction properties, to improve their poor oxygen evolution reaction (OER) activity is still challenging, which significantly limits their utilization. Here, the synthesis of Fe3O4‐decorated Co9S8 nanoparticles in situ grown on a reduced graphene oxide surface (Fe3O4@Co9S8/rGO) and the use of it as a remarkably active and stable OER catalyst are first reported. Loading of Fe3O4 on cobalt sulfide induces the formation of pure phase Co9S8 and highly improves the catalytic activity for OER. The composite exhibits superior OER performance with a small overpotential of 0.34 V at the current density of 10 mA cm−2 and high stability. It is believed that the electron transfer trend from Fe species to Co9S8 promotes the breaking of the Co–O bond in the stable configuration (Co–O–O superoxo group), attributing to the excellent catalytic activity. This development offers a new and effective cobalt sulfide‐based oxygen evolution electrocatalysts to replace the expensive commercial catalysts such as RuO2 or IrO2.
Solvothermal Synthesis and Ultrafast Photonics of Black Phosphorus Quantum Dots
Authors: Xu Yanhua , Wang Zhiteng , Guo Zhinan , Huang Hao , Xiao Quanlan , Zhang Han , Yu Xue‐Feng
Published: May 2016

Ultrasmall black phosphorus quantum dots (BPQDs) with an average size of 2.1 ± 0.9 nm are synthesized by using a solvothermal method in a N‐methyl‐2‐pyrrolidone solution. Verified by femto‐second laser Z‐scan measurement, BPQDs exhibit excellent nonlinear optical response with a modulation depth of about 36% and a saturable intensity of about 3.3 GW cm−2. By using BPQDs as optical saturable absorber, the ultrashort pulse with a pulse duration of about 1.08 ps centered at a wavelength of 1567.5 nm is generated in mode‐locked fiber laser. These results suggest that BPQDs may be developed as another kind of promising nanomaterial for ultrafast photonics.
A superstructure representation, generation, and modeling framework for chemical process synthesis
Authors: Wu WenZhao , Henao Carlos A. , Maravelias Christos T.
Published: May 2016

We present a framework for the efficient representation, generation, and modeling of superstructures for process synthesis. First, we develop a new representation based on three basic elements: units, ports, and conditioning streams. Second, we present four rules based on “minimal” and “feasible” component sets for the generation of simple superstructures containing all feasible embedded processes. Third, in terms of modeling, we develop a modular approach, and formulate models for each basic element. We also present a canonical form of element models using input/output variables and constrained/free variables. The proposed methods provide a coherent framework for superstructure‐based process synthesis, allowing efficient model generation and modification. © 2016 American Institute of Chemical Engineers AIChE J, 62: 3199–3214, 2016
TeCSMART: A hierarchical framework for modeling and analyzing systemic risk in sociotechnical systems
Authors: Venkatasubramanian Venkat , Zhang Zhizun
Published: May 2016

Recent systemic failures in different domains continue to remind us of the fragility of complex sociotechnical systems. Although these failures occurred in different domains, there are common failure mechanisms that often underlie such events. Hence, it is important to study these disasters from a unifying systems engineering perspective so that one can understand the commonalities as well as the differences to prevent or mitigate future events. A new conceptual framework that systematically identifies the failure mechanisms in a sociotechnical system, across different domains is proposed. Our analysis includes multiple levels of a system, both social and technical, and identifies the potential failure modes of equipment, humans, policies, and institutions. With the aid of three major recent disasters, how this framework could help us compare systemic failures in different domains and identify the common failure mechanisms at all levels of the system is demonstrated. © 2016 American Institute of Chemical Engineers AIChE J, 62: 3065–3084, 2016
A modified thermodynamic insight to deliquescence of a void‐containing nanocrystal confirmed by MD simulation
Authors: Akbarzadeh Hamed , Abbaspour Mohsen , Salemi Sirous , Masoumi Azizeh , Shamkhali Amir Nasser
Published: May 2016

Existence of voids in crystalline structures can affect their physical and chemical properties considerably. When the size of the crystal reaches to nanoscale, experimental determination of its void fraction is difficult. In this work, a molecular dynamics approach is introduced to find equilibrium void fractions of a simple cubic (CsCl) and fcc (KCl) nanocrystals by determination of their deliquescence relative humidity (DRH) for different sizes and void fractions and extrapolation of the results to the bulk limit. To confirm the simulation results, the size dependency of DRH to the nanoparticle size was studied thermodynamically by inclusion of size‐dependent density of water nanodroplet which leads to a simple homographic equation. This method proposes the equilibrium void percents of CsCl and KCl nanoparticles to be 10 and 15%, respectively, which are obtained by extrapolation of the results to the bulk limit. The success of obtained Möbius function was also confirmed by fitting it to experimental data for deliquescence of NaCl nanoparticles which implies the importance of considering density of water nanodroplet as a size dependent quantity. Also, using the mentioned thermodynamic approach, void dependency of deliquescence for the nanoparticles was found to be as a quasi‐linear trend which is compatible with the simulation results. It is noticeable that the approach used this work for determination of equilibrium void fraction is only valid if the utilized force fields are accurate. © 2016 American Institute of Chemical Engineers AIChE J, 62: 4066–4077, 2016
Ethensulfonylfluorid: der beste je entdeckte Michael‐Akzeptor?
Authors: Chen Quan , Mayer Peter , Mayr Herbert
Published: May 2016

Die Kinetik der Reaktionen von Ethensulfonylfluorid (ESF) mit Sulfonium‐ und Pyridiniumyliden wurde photometrisch gemessen, um den Elektrophilie‐Parameter von ESF gemäß der Korrelation lg k20 °C=sN(N + E) zu bestimmen. Mit E=−12.09 gehört ESF zu den stärksten Michael‐Akzeptoren in unserer Substanzklassen‐übergreifenden Elektrophilie‐Skala, was seine herausragende Eignung als Reaktionspartner für viele Nucleophile erklärt. Die vorhergesagte Befähigung, elektrophile aromatische Substitutionen mit elektronenreichen Arenen einzugehen, wurde durch unkatalysierte Reaktionen mit alkylsubstituierten Pyrrolen verifiziert.
Chemical Morphing of DNA Containing Four Noncanonical Bases
Authors: Eremeeva Elena , Abramov Michail , Margamuljana Lia , Rozenski Jef , Pezo Valerie , Marlière Philippe , Herdewijn Piet
Published: May 2016

The ability of alternative nucleic acids, in which all four nucleobases are substituted, to replicate in vitro and to serve as genetic templates in vivo was evaluated. A nucleotide triphosphate set of 5‐chloro‐2′‐deoxyuridine, 7‐deaza‐2′‐deoxyadenosine, 5‐fluoro‐2′‐deoxycytidine, and 7‐deaza‐2′deoxyguanosine successfully underwent polymerase chain reaction (PCR) amplification using templates of different lengths (57 or 525mer) and Taq or Vent (exo‐) DNA polymerases as catalysts. Furthermore, a fully morphed gene encoding a dihydrofolate reductase was generated by PCR using these fully substituted nucleotides and was shown to transform and confer trimethoprim resistance to E. coli. These results demonstrated that fully modified templates were accurately read by the bacterial replication machinery and provide the first example of a long fully modified DNA molecule being functional in vivo.
CO2 Hydrogenation over Oxide‐Supported PtCo Catalysts: The Role of the Oxide Support in Determining the Product Selectivity
Authors: Kattel Shyam , Yu Weiting , Yang Xiaofang , Yan Binhang , Huang Yanqiang , Wan Weiming , Liu Ping , Chen Jingguang G.
Published: May 2016

By simply changing the oxide support, the selectivity of a metal–oxide catalysts can be tuned. For the CO2 hydrogenation over PtCo bimetallic catalysts supported on different reducible oxides (CeO2, ZrO2, and TiO2), replacing a TiO2 support by CeO2 or ZrO2 selectively strengthens the binding of C,O‐bound and O‐bound species at the PtCo–oxide interface, leading to a different product selectivity. These results reveal mechanistic insights into how the catalytic performance of metal–oxide catalysts can be fine‐tuned.
Ethenesulfonyl Fluoride: The Most Perfect Michael Acceptor Ever Found?
Authors: Chen Quan , Mayer Peter , Mayr Herbert
Published: May 2016

The kinetics of the reactions of ethenesulfonyl fluoride (ESF) with sulfonium and pyridinium ylides were measured photometrically to determine the electrophilicity parameter of ESF according to the correlation lg k20 °C=sN(N+E). With E=−12.09, ESF is among the strongest Michael acceptors in our comprehensive electrophilicity scale, which explains its excellent performance in reactions with many nucleophiles. Its predicted usability as a reagent in electrophilic aromatic substitutions with electron‐rich arenes was confirmed by uncatalyzed reactions with alkyl‐substituted pyrroles.
Enantioselective Synthesis of Cyclobutylboronates via a Copper‐Catalyzed Desymmetrization Approach
Authors: Guisán‐Ceinos Manuel , Parra Alejandro , Martín‐Heras Víctor , Tortosa Mariola
Published: May 2016

The first catalytic enantioselective synthesis of cyclobutylboronates, by using a chiral copper(I) complex, is reported. A broad variety of cyclobutanes have been prepared with consistently high levels of diastereo‐ and enantiocontrol. Moreover, this method constitutes the first report of an enantioselective desymmetrization of meso‐cyclobutenes to prepare chiral cyclobutanes.
Fibroblast Growth Factor Receptor 3 Inhibits Osteoarthritis Progression in the Knee Joints of Adult Mice
Authors: Tang Junzhou , Su Nan , Zhou Siru , Xie Yangli , Huang Junlan , Wen Xuan , Wang Zuqiang , Wang Quan , Xu Wei , Du Xiaolan , Chen Hangang , Chen Lin
Published: May 2016

Objective

Fibroblast growth factor (FGF) signaling is involved in articular cartilage homeostasis. This study was undertaken to investigate the role and mechanisms of FGF receptor 3 (FGFR‐3) in the pathogenesis of osteoarthritis (OA) caused by surgery and aging in mice.

Methods

FGFR‐3 was conditionally deleted or activated in articular chondrocytes in adult mice subjected to surgical destabilization of the medial meniscus (DMM). A mouse model of human achondroplasia was also used to assess the role of FGFR‐3 in age‐associated spontaneous OA. Knee joint cartilage was histologically evaluated and scored using the Osteoarthritis Research Society International system. The expression of genes associated with articular cartilage maintenance was quantitatively evaluated in hip cartilage explants. The effect of inhibiting Indian hedgehog (IHH) signaling in Fgfr3‐deficient explants was analyzed.

Results

Conditional Fgfr3 deletion in mice aggravated DMM‐induced cartilage degeneration. Matrix metalloproteinase 13 and type X collagen levels were up‐regulated, while type II collagen levels were down‐regulated, in the articular cartilage of these mice. Conversely, FGFR‐3 activation attenuated cartilage degeneration induced by DMM surgery and age. IHH signaling and runt‐related transcription factor 2 levels in mouse articular chondrocytes were up‐regulated in the absence of Fgfr3, while inhibition of IHH signaling suppressed the increases in the expression of Runx2, Mmp13, and other factors in Fgfr3‐deficient mouse cartilage explants.

Conclusion

Our findings indicate that FGFR‐3 delays OA progression in mouse knee joints at least in part via down‐regulation of IHH signaling in articular chondrocytes.
LBH Gene Transcription Regulation by the Interplay of an Enhancer Risk Allele and DNA Methylation in Rheumatoid Arthritis
Authors: Hammaker Deepa , Whitaker John W. , Maeshima Keisuke , Boyle David L. , Ekwall Anna‐Karin H. , Wang Wei , Firestein Gary S.
Published: May 2016

Objective

To identify nonobvious therapeutic targets for rheumatoid arthritis (RA), we performed an integrative analysis incorporating multiple “omics” data and the Encyclopedia of DNA Elements (ENCODE) database for potential regulatory regions. This analysis identified the limb bud and heart development (LBH) gene, which has risk alleles associated with RA/celiac disease and lupus, and can regulate cell proliferation in RA. We identified a novel LBH transcription enhancer with an RA risk allele (rs906868 G [Ref]/T) 6 kb upstream of the LBH gene with a differentially methylated locus. The confluence of 3 regulatory elements, rs906868, an RA differentially methylated locus, and a putative enhancer, led us to investigate their effects on LBH regulation in fibroblast‐like synoviocytes (FLS).

Methods

We cloned the 1.4‐kb putative enhancer with either the rs906868 Ref allele or single‐nucleotide polymorphism (SNP) variant into reporter constructs. The constructs were methylated in vitro and transfected into cultured FLS by nucleofection.

Results

We found that both variants increased transcription, thereby confirming the region's enhancer function. Unexpectedly, the transcriptional activity of the Ref risk allele was significantly lower than that of the SNP variant and is consistent with low LBH levels as a risk factor for aggressive FLS behavior. Using RA FLS lines with a homozygous Ref or SNP allele, we confirmed that homozygous Ref lines expressed lower LBH messenger RNA levels than did the SNP lines. Methylation significantly reduced enhancer activity for both alleles, indicating that enhancer function is dependent on its methylation status.

Conclusion

This study shows how the interplay between genetics and epigenetics can affect expression of LBH in RA.
Wavelength‐Controlled Organic Microlasers Based on Polymorphism‐Dependent Intramolecular Charge‐Transfer Process
Authors: Dong Haiyun , Zhang Chunhuan , Yao Jiannian , Zhao Yong Sheng
Published: May 2016

Wavelength‐tunable micro/nanoscale lasers are particularly attractive as indispensible building blocks for various ultracompact photonic devices. Polymorphic organic materials display distinct emission colors in different crystal forms, providing the potential possibility in tailoring the lasing wavelength. Here we report wavelength‐controlled microlasers based on the polymorphism‐dependent intramolecular charge‐transfer (ICT) process in organic microcrystals. With different solution‐phase self‐assembly methods, three kinds of microstructures were prepared from the same organic ICT compound, where the different crystal structures offer completely distinct molecular environments, having a significant influence on the excited‐state ICT process and therefore the emission wavelength. As a result, we realized three different color lasing actions in these three kinds of organic ICT microcystals under two‐photon pumping. The results demonstrated here provide useful insights for the rational design of miniaturized lasers with desired performances.
The Genus Myrtus L. in Algeria: Composition and Biological Aspects of Essential Oils from M. communis and M. nivellei: A Review
Authors: Bouzabata Amel , Casanova Joseph , Bighelli Ange , Cavaleiro Carlos , Salgueiro Ligia , Tomi Félix
Published: May 2016

The genus Myrtus L. (Myrtaceae family) comprises two species, Myrtus communis L. (known as common myrtle) growing wild all around the Mediterranean basin and Myrtus nivellei Batt. and Trab. (known as Saharan myrtle), found in central Sahara. Only one country, Algeria, hosts both species, M. communis in the North and M. nivellei in the South. The aim of this review was to collect, summarize, and compare the main results reported relative to the essential oils isolated from aerial parts of both species: botanical aspects, habitat, traditional use, chemical composition, new compounds, antimicrobial activity, antioxidant activity, anti‐inflammatory effect, and insecticidal activity. Both essential oils have potential applications in human health.
Evaluation of 5‐cis‐Substituted Prolinamines as Ligands in Enantioselective, Copper‐Catalyzed Henry Reactions
Authors: Kaldun Johannes , Prause Felix , Scharnagel Dagmar , Freitag Frederik , Breuning Matthias
Published: May 2016

The development of a new catalytic system for enantioselective Henry reactions, which permits superb 99 % ee with a broad variety of aldehydes, is presented. In‐depth structure–selectivity investigations with 33 5‐cis‐substituted prolinamines, prepared from methyl Boc‐l‐pyroglutamate, revealed that an aromatic or sterically demanding aliphatic substituent in 5‐cis position is crucial for high levels of stereocontrol, while bulkier substituents at the nitrogen atoms diminish both, enantioselectivities and reaction rates. The scope of the prime catalyst was expanded to gram‐scale and diastereomeric Henry reactions (up to 84:16 dr, 99 % ee). In the course of mechanistic studies, it was proven that the resulting β‐nitro alcohols are configurationally stable under the reaction conditions. In addition, competition experiments were used to determine the relative reaction rates of some of the prolinamine‐modified catalysts.
ChemInform Abstract: METAL SULFUR NITROGEN COMPOUNDS. 16. PRODUCTS OF THE REACTION OF LEAD AND TIN N SALTS WITH TETRANITROGEN TETRASULFIDE. STRUCTURES OF PBN2S2.NH3, PBN2S2, AND SNCL4.2S4N4
Authors: MARTAN H. , WEISS J.
Published: May 2016

N H3, PbNzsz und SnCl4‐ 2 S4N4.
ChemInform Abstract: NEUTRON DIFFRACTION AND MOESSBAUER‐EFFECT STUDY OF MANGANESE IRON MONOXIDE ((MNXFE1‐X)YO) SOLID SOLUTIONS
Authors: LONG G. J. , HOPE D. A. O. , CHEETHAM A. K.
Published: May 2016

Rietveld‐Analysen von Pulver‐Neutronendaten bei 4.2 K zeigten für x 0.23 eine Spinrichtung zwischen der [I l Il‐Achse und der (l l I)‐Ebene (wie in FeyO).
ChemInform Abstract: Dolomite Decomposition to (Ca,Mg)O Solid Solutions: An X‐Ray Diffraction Study. Part 1 and Part 2.
Authors: SPINOLO G. , TAMBURINI U. A.
Published: May 2016

Der Mechanismus der vollständigen (thermischen) Zers. A wurde durch direkte Bestimmung der festen Phasen während der Reaktion untersucht.
ChemInform Abstract: ION ADSORPTION AND ELECTRON TRANSFER IN SPINEL‐LIKE IRON OXIDE COLLOIDS
Authors: TRONC E. , JOLIVET J.‐P. , LEFEBVRE J. , MASSART R.
Published: May 2016

Das Verhalten wäßriger Fe‐oxid‐Kolloide in Gegenwart von Metall‐Ionen wurde durch protometrische Titration und XRD untersucht [z.B. für Kolloide von ca. 100 Å Durchmesser mit einer mittleren Zusammensetzung von FezmOg (im protonierten Zustand) in FeClg‐Lösungen].
ChemInform Abstract: Synthetic Routes to [Fe2X2(X5)2]2‐ Anions (X = S, Se). Structure and Properties of [Fe2Se2(Se5)2]2‐, a Complex with Selenido and Pentaselenido Ligands.
Authors: STRASDEIT H. , KREBS B. , HENKEL G.
Published: May 2016

Die Ph4P+‐Salze der Titel‐Anionen wurden gemäß Formelschema (sowie nach 3 anderen Verfahren) dargestellt und ihre FT‐IR‐Spektren analysiert.
ChemInform Abstract: METAL COMPLEXES OF PURINE N‐OXIDES. I. THE CRYSTAL STRUCTURE OF A COPPER(II) COMPLEX OF DOUBLY DEPROTONATED ADENINE N1‐OXIDE
Authors: SLETTEN E. , MARTHINSEN T. , SLETTEN J.
Published: May 2016

Der Adenin‐N‐ oxid‐Ligand liegt abhängig vom pH‐Wert in verschiedenen Formen mit verschiedenen Koordinationsmöglichkeiten vor.
ChemInform Abstract: STRUCTURE DEPENDENCE OF ESR SPECTRA OF COPPER(II) COMPLEXES OF ALIPHATIC AND TRYPTOPHAN CONTAINING DIPEPTIDES AND ATP
Authors: WERNER E. R. , RODE B. M.
Published: May 2016

Vergleiche der ESR‐Spektren sowie der Stabilitätskonstanten von Gly‐Gly, L‐Trp‐Gly und Gly‐L‐Trp zeigen, daß sie durch die Tryptophan‐Seitenkette kaum beeinflußt werden.
ChemInform Abstract: IRON HEXACYANOFERRATE FILMS: SPECTROELECTROCHEMICAL DISTINCTION AND ELECTRODEPOSITION SEQUENCE OF SOLUBLE (POTASSIUM(1+)‐CONTAINING) AND INSOLUBLE (POTASSIUM(1+)‐FREE) PRUSSIAN BLUE, AND COMPOSITION CHANGES IN POLYELECTROCHROMIC SWITCHING
Authors: MORTIMER R. J. , ROSSEINSKY D. R.
Published: May 2016

Durch Elektroreduktion in Abwesenheit von K + erzeugte Filme von Preußischblau zeigen ein Absorptionsmaximum bei 730 nm, das bei Potentialverschiebung in KCl‐Lösung schärfer wird und sich zu 690 nm verschiebt.
ChemInform Abstract: KINETICS AND MECHANISM OF THE DECOMPOSITION OF THIONITRITES DERIVED FROM THIOUREAS
Authors: GARLEY M. S. , STEDMAN G. , MILLER H.
Published: May 2016

Die gelbe Titelverbindung (II), die durch Nitrosierung des Harnstoffs (I) unter Luftabschluß entsteht, zerfällt nach einer kinetischen Ordnung zwischen l und 2, wenn (I) im Überschuß vorhanden ist.
ChemInform Abstract: PYROLYSIS STUDIES OF ORGANIC OXYGENATES. 5. THERMAL CHEMISTRY PATHWAYS OF 1‐NAPHTHOL UNDER HYDROGEN
Authors: SCHLOSBERG R. H. , KURS A.
Published: May 2016

Die Pyrolyse von l‐Naphthol (I) in Gegenwart von Wasserstoff wird bei 400°C und 450°C und verschiedenen Wasserstoffdrücken untersucht.
ChemInform Abstract: SOLID‐ AND LIQUID‐PHASE PHOTODIMERIZATIONS OF 5H‐INDOLO(1,7‐AB)(1)BENZAZEPINE
Authors: BATES R. B. , CHRISTENSEN K. A. , HALLBERG A. , KLENCK R. E. , MARTIN A. R.
Published: May 2016

Die Dimerisieruitg von lndolobenzazepin (1) liefert im festen Zustand oder in Lösung die beiden isomeren Dimerisierungsprodukte (II) und (III), deren Verhältnis von den Reaktionsbedingungen abhängt.
ChemInform Abstract: REACTIONS OF OXYGENATED RADICALS IN THE GAS PHASE. PART 16. DECOMPOSITION OF ISOPROPOXYL RADICALS
Authors: AL AKEEL N. Y. , WADDINGTON D. J.
Published: May 2016

Die Photooxidation des trans‐Azopropans (I) bei 500 Torr Gesamt‐ und steigendem O2‐Partialdruck führt zur Zunahme der Carbonylprodukte (III) und (V) und zur Abnahme von (IV).
ChemInform Abstract: REDUCTIVE PINACOL‐TYPE REARRANGEMENT OF CHIRAL α‐MESYLOXY KETONES PROMOTED BY ORGANOALUMINUM COMPOUNDS
Authors: SUZUKI K. , KATAYAMA E. , MATSUMOTO T. , TSUCHIHASHI G.
Published: May 2016

Die z.Tl. in ihrer Herstellung aus entsprechenden Keto‐alkoholen beschriebenen Mesyloxyketone (I) werden mit DlBAL und Ethylaluminiumverbindungen über eine Umlagerung der Zwischenstufen (II) zu Aldehy‐ ′ den (III) umgesetzt, deren Reduktion die Alkohole (IV) im Sinne einer reduktiven Pinakol‐Umlagerung liefert.
ChemInform Abstract: HYDROGENATION OF HETEROCYCLIC COMPOUNDS USING POLYMER‐CONTAINING CATALYSTS
Authors: KARAKHANOV E. A. , LOKTEV A. S. , PSHEZHETSKII V. S. , STEPANOVA I. P. , DEDOV A. G.
Published: May 2016

Die Metallsalze (I)‐(IV) werden mit Styrol‐Maleinsäure‐Copolymer, mit Maleinsäure‐Methylmethacrylat‐Copolymer, mit Polyacrylsäure oder Polyvinylpyrrolidon in alkoholischer Lösung mit Natriumborhydrid zu polymerhaltigen Katalysatoren (PHK) reduziert.
ChemInform Abstract: MICHAEL ADDITIONS OF HYDRAZONES FOR CARBON‐CARBON BOND FORMATION
Authors: BALDWIN J. E. , ADLINGTON R. M. , BOTTARO J. C. , JAIN A. U. , KOLHE J. N. , PERRY M. W. D. , NEWINGTON I. M.
Published: May 2016

Die Lithiumverbindungen (II) der Hydrazone (I) reagieren mit Methylcrotonat (III) zu den Azo‐estern (IV).
ChemInform Abstract: TETRAKIS(1‐METHYLCYCLOPROPYL)ETHYLENE IN FOUR STEPS FROM α‐METHYL‐Γ‐BUTYROLACTONE
Authors: BOEHRER G. + , KNORR R.
Published: May 2016

Das Enolat (II) reagiert mit dem Lacton (I) zu einem Addukt (III), das sauer zum spirocyclischen Ketal (IV) führt.
ChemInform Abstract: NEW SYNTHESIS AND MOLECULAR STRUCTURE OF THE PYRENE ISOMER AZULENO(2,1,8‐IJA)AZULENE (DICYCLOHEPTA(CD,GH)PENTALENE)
Authors: VOGEL E. , WIELAND H. , SCHMALSTIEG L. , LEX J.
Published: May 2016

Das aus Tetrahydroanthracen zugängliche Dichlor‐ carbenaddukt (1) wird über die Sulfinsäure (IIa) und dassul?nsäurechlorid (IIb) mit Diazomethan in das α‐Chlorsulfoxid (III) übergeführt, aus dem nach Dehydrierung zu (IV) mit Basen das im Titel genannte Azuleno‐azulen (V) erhalten wird.
ChemInform Abstract: THERMAL DEOXYGENATION OF SYN‐15,16‐DIOXO‐1,6:8,13‐BISMETHANO(14)ANNULENE TO THE PYRENE ISOMER AZULENO(2,1,8‐IJA)AZULENE (DICYCLOHEPTA(CD,GH)PENTALENE)
Authors: VOGEL E. , MARKOWITZ G. , SCHMALSTIEG L. , ITO S. , BREUCKMANN R. , ROTH W. R.
Published: May 2016

Aus dem Dion (I), das thermisch bis 500°C stabil ist, entstehen bei der Strömungsthermolyse zwischen 500 und 600°C das Azuleno‐azulen (II) und Anthracen (III).