bluuebunny/crossref_metadata_2025 huggingface dataset:
Contemporary Koreans’ Perceptions of Facial Beauty
Authors: Rhee Seung Chul , An Soo-Jung , Hwang Rahil
Published: September 2017

Background This article aims to investigate current perceptions of beauty of the general public and physicians without a specialization in plastic surgery performing aesthetic procedures.

Methods A cross-sectional and interviewing questionnaire was administered to 290 people in Seoul, South Korea in September 2015. The questionnaire addressed three issues: general attitudes about plastic surgery (Q1), perception of and preferences regarding Korean female celebrities’ facial attractiveness (Q2), and the relative influence of each facial aesthetic subunit on overall facial attractiveness. The survey’s results were gathered by a professional research agency and classified according to a respondent’s gender, age, and job type (95%±5.75% confidence interval). Statistical analysis was performed using SPSS ver. 10.1, calculating one-way analysis of variance with post hoc analysis and Tukey’s t-test.

Results Among the respondents, 38.3% were in favor of aesthetic plastic surgery. The most common source of plastic surgery information was the internet (50.0%). The most powerful factor influencing hospital or clinic selection was the postoperative surgical results of acquaintances (74.9%). We created a composite face of an attractive Korean female, representing the current facial configuration considered appealing to the Koreans. Beauty perceptions differed to some degree based on gender and generational differences. We found that there were certain differences in beauty perceptions between general physicians who perform aesthetic procedures and the general public.

Conclusions Our study results provide aesthetic plastic surgeons with detailed information about contemporary Korean people’s attitudes toward and perceptions of plastic surgery and the specific characteristics of female Korean faces currently considered attractive, plus trends in these perceptions, which should inform plastic surgeons within their specialized fields.
Hand Surgery Fellowship Selection Criteria: A National Fellowship Director Survey
Authors: Egro Francesco M. , Vangala Sai K. , Nguyen Vu T. , Spiess Alexander M.
Published: September 2017

Background Candidate characteristics for hand surgery fellowship training remains unknown, as very little data is available in the literature. This study aims to provide information on the criteria that are employed to select candidates for the hand surgery fellowship match.

Methods A 38-question survey was sent in April 2015 to all Accreditation Council for Graduate Medical Education recognized hand surgery fellowship program directors (n=81) involved in the U.S. match. The survey investigated factors used for the selection of applicants, including medical school, residency training, research experience, fellowship interview, and candidate characteristics. A 5-point Likert scale was used to grade 33 factors from “not at all important” (1) to “essential in making my decision” (5); or for five controversial factors from “very negative impact” (1) to “very positive impact in making my decision” (5).

Results A total of 52% (42 out of 81) of responses were received from hand surgery fellowship program directors. The most important influential factors were interactions with faculty during interview and visit (4.6±0.6), interpersonal skills (4.6±0.5), overall interview performance in the selection process (4.6±0.6), professionalism and ethics (4.6±0.7), and letters of recommendation from hand surgeons (4.5±0.7). Factors that have a negative impact on the selection process include visa requirement (2.1±1.2), graduate of non-plastic surgery residency program (2.4±1.3), and graduate of a foreign medical school (2.4±1.1).

Conclusions This study provides data on hand surgery fellowship directors’ perception on the criteria important for fellowship applicant selection, and showed that interview-related criteria and letters of recommendation are the important factors.
The Mechanism and Simulation Research of "Foamy Oil" During CO2 Flooding
Authors: Jia Ying , Huang Lei , Sun Lei
Published: September 2017

Noticeable progress in understanding the high efficiency of "foamy oil" in solution gas drive in heavy oil reservoirs has been made in recent years. However, "foamy oil" during CO2 flooding was still a special and novel phenomenon when CO2 flood asphaltic oil. The basic mechanism and corresponding numerical equation of seepage flow of ‘foamy oil’, in connection with CO2 flooding, have not been reported. This paper presented the mechanism analysis and simulation study that addressed this issue.

A new viewpoint of foamy oil during CO2 flooding was proposed with contrasting the similarity of "foamy oil" during CO2 flooding front with that in dissolved gas flooding. During CO2 flooding the "foamy oil" could form when CO2 contacted with oil because precipitated asphaltene could facilitate bubble nucleation, decrease the critical super-saturation and help in maintaining the dispersed gas flow by suppressing bubble coalescence, which similar to ‘foamy oil’ in depletion drive. Two main mechanisms were proposed. The first was enhancing oil recovery obviously by decreasing viscosity of crude oil, reducing interfacial tension, and swelling oil. The second mechanism was steady gas/oil mobility helping in maintaining high pressure in the reservoirs.

Then, the compositional model considering bubble nucleation, growth and coalescence and CO2 flowing characteristic was established, combining the advantages of "equilibrium model" with that of "dynamic model". With the establishment of the model, the flowing characteristic of "foamy oil" during CO2 flooding was regarded as the function of time and flow condition. The relative permeability curve and critical saturation of bubble were modified to determine the influence of "foamy oil" on oil recovery.

Taken one oil field in north China as example, the compositional model calculation results indicated that bubble was mainly located at the front of carbon dioxide flooding. High efficient flooding potential was achieved with "foamy oil" existed in carbon dioxide displacing front which were in accordance with the anomalously good performance in oil production. This method of calculating foamy oil properties would provide the basics for developing numerical simulation models of foamy oil flow during CO2 flooding.
Hybrid Process of Gas and Downhole Water Sink-Assisted Gravity Drainage (G&DWS-AGD) to Enhance Oil Recovery in Reservoirs with Water Coning
Authors: Al-Mudhafar Watheq J. , Wojtanowicz Andrew K. , Rao Dandina N.
Published: September 2017

The Gas-Assisted Gravity Drainage (GAGD) process has been suggested to enhance oil recovery by placing vertical injectors for CO2 at the top of the reservoir with a series of horizontal producers located at the bottom. The injected gas accumulates to form a gas cap while oil and water drain down to the bottom due to their heavier densities. The GAGD process has limitations with regards to the high levels of water cut and high tendency of water coning. This paper provides an integration of water sink into the GAGD process to overcome these limitations.

The hybrid process of Gas Injection and Downhole Water Sink-Assisted Gravity Drainage (GDWS-AGD) was developed and tested to minimize water cut in oil production wells from reservoirs with bottom water drives and strong water coning tendencies. In the combined technologies, the 7 inch production casing are dual completed for two 2-3/8 inch horizontal tubings: one above the oil-water contact for oil production and one underneath for water sink. The two completions are hydraulically isolated inside the well by a packer. The bottom (water sink) completion employs a submersible pump and water-drainage perforations.

The submersible pump drains the formation water from around the well and prevents the water from breaking through the oil column and getting into the horizontal oil-producing perforations. The GDWS-AGD was efficiently adopted to improve oil recovery at the upper sandstone member/South Rumaila Oil Field, located in Iraq. The Rumaila field has an infinite active aquifer with very strong edge and bottom water drives. Many successive cases were conducted to obtain the clearest image about optimal setting of the combined processes. These cases include oil and water production only, oil and water production with constant pressure gas injection, and oil and water production with decreased pressure gas injection. The injection pressure needed to be periodically decreased in order to ensure immiscibility of CO2 flooding. In the GDWS-AGD, the produced water not only reduced water cut and coning, but also significantly reduced the reservoir pressure, resulting in improving gas injectivity. In addition, the GDWS-AGD process improved oil recovery to promising levels. More specifically, the results showed that oil recovery increased from 71% to 85% and water cut decreased from 98% to less than 5% in all the horizontal oil producers.

The novelty of GDWS-AGD process comes from its effectiveness to improve oil recovery with reducing the water coning, water cut, and improving gas injectivity. This leads to more economic implementation, especially with respect to the operational surface facilities.
Pressure Transient Analysis for Characterization of Lateral and Vertical Leakage through Faults
Authors: Mosaheb Mojtaba , Zeidouni Mehdi
Published: September 2017

A fault is a potential pathway for fluid leakage, which can contaminate underground water resources. In addition, fault leakage can affect hydrocarbon production. This study aims to develop a type-curve-based methodology to characterize a fault both laterally and vertically using pressure transient analysis. We develop an analytical model to assess the pressure perturbations corresponding to production/injection from/into a reservoir with a leaky fault. Displacement of layers during the fault displacement may cause alteration of the reservoir properties across the fault. This alteration is accounted for by considering different properties on the two sides of the fault. The reservoir is divided into two regions separated by the fault, which are in hydraulic communication with one another and with the overlying/underlying permeable layers. The governing system of differential equations and corresponding boundary conditions are solved using Fourier and Laplace transforms. At early times of the fault leakage, the recorded well pressure changes are mostly affected by the fault properties and the effects of resistance from the upper zone emerge later. In this model, we neglect the resistance to leakage flow caused by the overlying zone to focus on the pressure changes at early times of the fault leakage. We show that these assumptions are valid to arrive at correct fault characteristics. For fault characterization, type curves are presented in terms of dimensionless vertical and horizontal conductivities of the fault. A computational optimization method is used in combination with type curves to fully characterize the reservoir-fault system. Results show that the characterization method is useful to estimate the fault vertical and lateral conductivities.
Quelques observations sur la poétique de la doctrine
Authors: Normand Sylvio
Published: September 2017

La doctrine juridique en tant que production éditoriale présente une poétique qui fait appel à des formes et à des procédés singuliers. L’auteur s’arrête aux relations textuelles qui lient un écrit doctrinal et les autres textes qui sont en relation immédiate avec lui. Deux types de relations textuelles sont abordés : l’intertextualité, qui considère la présence d’un texte dans un autre texte par le recours à la citation, à la référence ou à l’allusion ; et la paratextualité, qui se penche sur les textes se situant à la périphérie de l’écrit doctrinal, tels la préface, les notes en bas de page, le plan, les intertitres, la préface, les tables ou les index. Ces relations textuelles contribuent à affirmer la singularité de l’écrit doctrinal. Elles sont révélatrices de la fonction d’autorité qui lui est attribuée et de l’importance du dispositif qui a pour objet de faciliter l’accès au texte. En réalité, les relations textuelles propres à la doctrine sont le reflet de certains traits de la culture juridique et de son évolution. L’ère de l’édition numérique est annonciatrice, en ce sens, d’une transformation de l’intertextualité et de la paratextualité propres à l’écrit doctrinal et vraisemblablement de la fonction d’autorité qui lui a été traditionnellement reconnue dans la communauté juridique.
L’exercice de la profession d’avocat en société et en multidisciplinarité au Québec : bilan et perspectives
Authors: Paquin Julie
Published: September 2017

La réglementation des modes d’exercice des professions juridiques au Québec a atteint un moment décisif au cours des années 2000 à la suite de l’adoption du Règlement sur l’exercice de la profession d’avocat en société et en multidisciplinarité. Une dizaine d’années plus tard, l’auteure se penche sur les tenants et aboutissants de cette réforme, en retraçant le processus de négociation qui a mené à son adoption ainsi que les différents arguments mis en avant par le Barreau du Québec et les autres ordres professionnels visés afin de faire valoir la nécessité d’une intervention législative en la matière. Des données tirées du registre des entreprises sont ensuite utilisées en vue d’examiner dans quelle mesure les cabinets d’avocats québécois ont profité des nouvelles options qui leur sont offertes relativement à leur forme juridique.
Systematic integration of biomedical knowledge prioritizes drugs for repurposing
Authors: Himmelstein Daniel Scott , Lizee Antoine , Hessler Christine , Brueggeman Leo , Chen Sabrina L , Hadley Dexter , Green Ari , Khankhanian Pouya , Baranzini Sergio E
Published: September 2017

The ability to computationally predict whether a compound treats a disease would improve the economy and success rate of drug approval. This study describes Project Rephetio to systematically model drug efficacy based on 755 existing treatments. First, we constructed Hetionet (neo4j.het.io), an integrative network encoding knowledge from millions of biomedical studies. Hetionet v1.0 consists of 47,031 nodes of 11 types and 2,250,197 relationships of 24 types. Data were integrated from 29 public resources to connect compounds, diseases, genes, anatomies, pathways, biological processes, molecular functions, cellular components, pharmacologic classes, side effects, and symptoms. Next, we identified network patterns that distinguish treatments from non-treatments. Then, we predicted the probability of treatment for 209,168 compound–disease pairs (het.io/repurpose). Our predictions validated on two external sets of treatment and provided pharmacological insights on epilepsy, suggesting they will help prioritize drug repurposing candidates. This study was entirely open and received realtime feedback from 40 community members.
In Situ Raman Detection of Gas Hydrates Exposed on the Seafloor of the South China Sea
Authors: Zhang Xin , Du Zengfeng , Luan Zhendong , Wang Xiujuan , Xi Shichuan , Wang Bing , Li Lianfu , Lian Chao , Yan Jun
Published: September 2017

Gas hydrates are usually buried in sediments. Here we report the first discovery of gas hydrates exposed on the seafloor of the South China Sea. The in situ chemical compositions and cage structures of these hydrates were measured at the depth of 1,130 m below sea level using a Raman insertion probe (RiP‐Gh) that was carried and controlled by a remotely operated vehicle (ROV) Faxian. This in situ analytical technique can avoid the physical and chemical changes associated with the transport of samples from the deep sea to the surface. Natural gas hydrate samples were analyzed at two sites. The in situ spectra suggest that the newly formed hydrate was Structure I but contains a small amount of C3H8 and H2S. Pure gas spectra of CH4, C3H8, and H2S were also observed at the SCS‐SGH02 site. These data represent the first in situ proof that free gas can be trapped within the hydrate fabric during rapid hydrate formation. We provide the first in situ confirmation of the hydrate growth model for the early stages of formation of crystalline hydrates in a methane‐rich seafloor environment. Our work demonstrates that natural hydrate deposits, particularly those in the early stages of formation, are not monolithic single structures but instead exhibit significant small‐scale heterogeneities due to inclusions of free gas and the surrounding seawater, there inclusions also serve as indicators of the likely hydrate formation mechanism. These data also reinforce the importance of correlating visual and in situ measurements when characterizing a sampling site.
The Testing Effect is Preserved in Stressful Final Testing Environment
Authors: Szőllősi Ágnes , Keresztes Attila , Novák Bálint , Szászi Barnabás , Kéri Szabolcs , Racsmány Mihály
Published: September 2017

Previous studies have shown that retrieval practice leads to better long‐term memory than additional study of a material (a phenomenon termed the testing effect). In this study, we compared the effectiveness of these learning strategies when the final test occurs under stress (such as in an exam). Participants studied word pairs; then half of the material was repeatedly studied, whereas the other half was repeatedly tested. Following a 7‐day delay, participants were exposed to either a psychosocially stressful situation or a control task, followed by an associative recall task that tested memory for all items. Multiple measures were used to assess stress levels: emotional state assessments as well as assays of salivary cortisol and alpha‐amylase levels. Results are in favour of the ecological validity of retrieval‐based learning. Participants recalled more retested items than restudied items regardless of being exposed to a stressful situation and the hormonal (cortisol) response to stress. Copyright © 2017 John Wiley & Sons, Ltd.
Vacancy‐Driven Gelation Using Defect‐Rich Nanoassemblies of 2D Transition Metal Dichalcogenides and Polymeric Binder for Biomedical Applications
Authors: Jaiswal Manish K. , Carrow James K. , Gentry James L. , Gupta Jagriti , Altangerel Nara , Scully Marlan , Gaharwar Akhilesh K.
Published: September 2017

A new approach of vacancy‐driven gelation to obtain chemically crosslinked hydrogels from defect‐rich 2D molybdenum disulfide (MoS2) nanoassemblies and polymeric binder is reported. This approach utilizes the planar and edge atomic defects available on the surface of the 2D MoS2 nanoassemblies to form mechanically resilient and elastomeric nanocomposite hydrogels. The atomic defects present on the lattice plane of 2D MoS2 nanoassemblies are due to atomic vacancies and can act as an active center for vacancy‐driven gelation with a thiol‐activated terminal such as four‐arm poly(ethylene glycol)–thiol (PEG‐SH) via chemisorption. By modulating the number of vacancies on the 2D MoS2 nanoassemblies, the physical and chemical properties of the hydrogel network can be controlled. This vacancy‐driven gelation process does not require external stimuli such as UV exposure, chemical initiator, or thermal agitation for crosslinking and thus provides a nontoxic and facile approach to encapsulate cells and proteins. 2D MoS2 nanoassemblies are cytocompatible, and encapsulated cells in the nanocomposite hydrogels show high viability. Overall, the nanoengineered hydrogel obtained from vacancy‐driven gelation is mechanically resilient and can be used for a range of biomedical applications including tissue engineering, regenerative medicine, and cell and therapeutic delivery.
Perspective on Structural Evolution and Relations with Thermophysical Properties of Metallic Liquids
Authors: Wang Xiao‐Dong , Jiang Jian‐Zhong
Published: September 2017

The relationship between the structural evolution and properties of metallic liquids is a long‐standing hot issue in condensed‐matter physics and materials science. Here, recent progress is reviewed in several fundamental aspects of metallic liquids, including the methods to study their atomic structures, liquid–liquid transition, physical properties, fragility, and their correlations with local structures, together with potential applications of liquid metals at room temperature. Involved with more experimentally and theoretically advanced techniques, these studies provide more in‐depth understanding of the structure–property relationship of metallic liquids and promote the design of new metallic materials with superior properties.
Suspension 3D Printing of Liquid Metal into Self‐Healing Hydrogel
Authors: Yu Yongze , Liu Fujun , Zhang Renchang , Liu Jing
Published: September 2017

A new conceptual method termed as suspension 3D printing is demonstrated using self‐healing hydrogel support to create macroscopic structures of liquid metal that exhibits properties indicative of a nonprintable object. The relationships between the process parameters, supporting gel concentration, and the deposited microdroplet geometry are clarified. The smaller nozzle inner diameter, lower flow rate, and higher printing speed will lead to a smaller droplets size. The gel concentration plays a significant role on patterning the droplets space. The results presented can be applied to design the target feature and further optimize the input parameters. Besides, this paper also illustrates the capability and potential application of the method in constructing 3D macrostructures and stereo electronic systems using these liquid metal droplets. Based on this strategy, it is possible to print liquid metal into sophisticated multidimensional and shape transformable functional structures ignoring the effects of fluid instability, gravity, and surface tension. Furthermore, this work can help remove the limits of materials and technical barriers to enable a wide variety of materials to be printed into arbitrary shapes. It is expected that further practices of the methodology will facilitate the advancements in multiscale droplets generation, flexible electronics, encapsulation technologies, biology and medicine, etc.
Direct C–H Arylation as a Chemoselective Single‐Step Access to π–Acceptor–π Type Building Blocks
Authors: Lu Kuan‐Ming , Li Wei‐Ming , Lin Po‐Yu , Liu Kuan‐Ting , Liu Ching‐Yuan
Published: September 2017

Different from the traditional multi‐step synthesis, a chemoselective direct C–H arylation is reported for the single‐step synthesis of various useful π–acceptor–π (π–A–π) type building blocks for use in organic electronics. This well‐optimized C–H heteroarylation exhibits good product yields, broad substrate scope, and high functional group compatibility. Applications in the efficient synthesis of a new metal‐free dye sensitizer for dye‐sensitized solar cells (DSSCs) are also demonstrated.

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A cohort study of multiple families with FBN1 p.R650C variant, ectopia lentis, and low but not absent risk for aortopathy
Authors: Vatti Lohith , Fitzgerald‐Butt Sara M. , McBride Kim L.
Published: September 2017

Marfan syndrome is a multisystem disease with cardiovascular, ophthalmologic, and skeletal features. Diagnosis is made clinically with emphasis on presence of aortic root dilation and ectopia lentis (EL). Most individuals meeting these criteria have a pathogenic variant in FBN1, usually unique or observed rarely. Individuals with EL alone may also have FBN1 pathogenic variants, and the risk for aortic disease is not well known. We identified a unique cohort of 31 individuals (mean age 29, range 2–78) from nine families ascertained by a proband with EL alone, who had the same FBN1 p.R650C variant. Comparison was made to individuals with Marfan syndrome (n = 103 from 97 families) at our institution. Those with the p.R650C variant had few skeletal features of Marfan syndrome. Age of onset of EL was later compared to others with cysteine variant changes. Aortic root dilation occurred in 4/16 (25%) of the p.R650C group versus 71/83 (86%) in the comparator group (p < 0.001) and dissection or replacement in 1/31 (3%) versus 20/103 (19%; p < 0.04). Aortic root Z scores were much lower in the p.R650C (0.34 ± 1.70) versus the comparator (2.99 ± 2.54; p < 0.0002). Kaplan–Meier failure curves for aortic root dilation demonstrated later age of onset and differed significantly for incidence rate ratio (comparator vs. p.R650C = 5.35, CI 1.84–21.17; p = 0.0001). Individuals with p.R650C predominantly have EL, but do have risk for aortic dilation at ages later than typical for Marfan syndrome in general and for cysteine changes specifically. Surveillance for aortic dilation is required but may occur less frequently.
An Ultraflexible Silicon–Oxygen Battery Fiber with High Energy Density
Authors: Zhang Ye , Jiao Yiding , Lu Lijun , Wang Lie , Chen Taiqiang , Peng Huisheng
Published: September 2017

To satisfy the rapid development of portable and wearable electronics, it is highly desired to make batteries with both high energy densities and flexibility. Although some progress has been made in recent decades, the available batteries share critical problems of poor energy storage capacity and low flexibility. Herein, we have developed a silicon–oxygen battery fiber with high energy density and ultra‐high flexibility by designing a coaxial architecture with a lithiated silicon/carbon nanotube hybrid fiber as inner anode, a polymer gel as middle electrolyte and a bare carbon nanotube sheet as outer cathode. The fiber showed a high energy density of 512 Wh kg−1 and could effectively work after bending for 20 000 cycles. These battery fibers have been further woven into flexible textiles for a large‐scale application.
Graphene Oxide Membranes with Heterogeneous Nanodomains for Efficient CO2 Separations
Authors: Wang Shaofei , Xie Yu , He Guangwei , Xin Qingping , Zhang Jinhui , Yang Leixin , Li Yifan , Wu Hong , Zhang Yuzhong , Guiver Michael D. , Jiang Zhongyi
Published: September 2017

Achieving high membrane performance in terms of gas permeance and carbon dioxide selectivity is an important target in carbon capture. Aiming to manipulate the channel affinity towards CO2 to implement efficient separations, gas separation membranes containing CO2‐philic and non‐CO2‐philic nanodomains in the interlayer channels of graphene oxide (GO) were formed by intercalating poly(ethylene glycol) diamines (PEGDA). PEGDA reacts with epoxy groups on the GO surface, constructing CO2‐philic nanodomains and rendering a high sorption capacity, whereas unreacted GO surfaces give non‐CO2‐philic nanodomains, rendering low‐friction diffusion. Owing to the orderly stacking of nanochannels through cross‐linking and the heterogeneous nanodomains with moderate CO2 affinity, a GO‐PEGDA500 membrane exhibits a high CO2 permeance of 175.5 GPU and a CO2/CH4 selectivity of 69.5, which is the highest performance reported for dry‐state GO‐stacking membranes.
Diols as Dienophiles: Bridged Carbocycles via Ruthenium(0)‐Catalyzed Transfer Hydrogenative Cycloadditions of Cyclohexadiene or Norbornadiene
Authors: Sato Hiroki , Fukaya Keisuke , Poudel Binit Sharma , Krische Michael J.
Published: September 2017

Highly exo‐selective ruthenium(0) catalyzed transfer hydrogenative cycloadditions of 1,2‐diols with cyclohexadiene or norbornadiene are described. Novel bridged bicyclic ring systems are accessible from the diol, α‐ketol or 1,2‐dione oxidation levels with complete control of diastereoselectivity.
Metallo‐Supramolecular Gels that are Photocleavable with Visible and Near‐Infrared Irradiation
Authors: Theis Sabrina , Iturmendi Aitziber , Gorsche Christian , Orthofer Marco , Lunzer Markus , Baudis Stefan , Ovsianikov Aleksandr , Liska Robert , Monkowius Uwe , Teasdale Ian
Published: September 2017

A photolabile ruthenium‐based complex, [Ru(bpy)2(4AMP)2](PF6)2, (4AMP=4‐(aminomethyl)pyridine) is incorporated into polyurea organo‐ and hydrogels via the reactive amine moieties on the photocleavable 4AMP ligands. While showing long‐term stability in the dark, cleavage of the pyridine–ruthenium bond upon irradiation with visible or near‐infrared irradiation (in a two‐photon process) leads to rapid de‐gelation of the supramolecular gels, thus enabling spatiotemporal micropatterning by photomasking or pulsed NIR‐laser irradiation
Orientation‐Induced Adsorption of Hydrated Protons at the Air–Water Interface
Authors: Mamatkulov Shavkat I. , Allolio Christoph , Netz Roland R. , Bonthuis Douwe Jan
Published: September 2017

The surface tension of the air—water interface increases upon addition of inorganic salts, implying a negative surface excess of ionic species. Most acids, however, induce a decrease in surface tension, indicating a positive surface excess of hydrated protons. In combination with the apparent negative charge at pure air–water interfaces derived from electrokinetic experiments, this experimental observation has been a source of intense debate since the mid‐19th century. Herein, we calculate surface tensions and ionic surface propensities at air–water interfaces from classical, thermodynamically consistent molecular dynamics simulations. The surface tensions of NaOH, HCl, and NaCl solutions show outstanding quantitative agreement with experiment. Of the studied ions, only H3O+ adsorbs to the air–water interface. The adsorption is explained by the deep potential well caused by the orientation of the H3O+ dipole in the interfacial electric field, which is confirmed by ab initio simulations.
Quantitative and Comparative Profiling of Protease Substrates through a Genetically Encoded Multifunctional Photocrosslinker
Authors: He Dan , Xie Xiao , Yang Fan , Zhang Heng , Su Haomiao , Ge Yun , Song Haiping , Chen Peng R.
Published: September 2017

A genetically encoded, multifunctional photocrosslinker was developed for quantitative and comparative proteomics. By bearing a bioorthogonal handle and a releasable linker in addition to its photoaffinity warhead, this probe enables the enrichment of transient and low‐abundance prey proteins after intracellular photocrosslinking and prey–bait separation, which can be subject to stable isotope dimethyl labeling and mass spectrometry analysis. This quantitative strategy (termed isoCAPP) allowed a comparative proteomic approach to be adopted to identify the proteolytic substrates of an E. coli protease–chaperone dual machinery DegP. Two newly identified substrates were subsequently confirmed by proteolysis experiments.
Non‐canonical Bases in the Genome: The Regulatory Information Layer in DNA
Authors: Carell Thomas , Kurz Matthias Q. , Müller Markus , Rossa Martin , Spada Fabio
Published: September 2017

Multicellular organisms developed the concept of specialized cells that perform specific functions. Examples are neurons and fibroblast to name just two out of more than 200. These cellular differences are established based on the same sequence information stored in the cell nucleus of all cells of an organism. The sequence information needs consequently different interpretations by the different cell types. During cellular development this interpretation of the genetic code has to be tightly regulated in space and time. Interpretation of the sequence information involves the controlled activation and silencing of specific genes so that certain proteins are made in one cell type but not in others. This involves an additional regulatory information layer beyond the pure base sequence. One aspect of this regulatory information layer relies on functional groups that are attached to the C(5) position of the canonical base dC. Currently four regulatory, non‐canonical bases with a methyl (CH3)‐, a hydroxymethyl (CH2OH)‐, a formyl (CHO)‐ and a carboxyl (COOH)‐ group are known. While 5‐methyl‐cytidine is long recognised to be a regulatory base in the genome, the other three bases and the enzymes responsible for generating them, were just recently discovered.
Synthesis and Characterization of an Eclipsed Digermylene as a Building Block to Construct a Cyclic Octagermylene
Authors: Wey Yu‐Te , Yang Fan‐Shan , Yu Hsien‐Cheng , Kuo Ting‐Shen , Tsai Yi‐Chou
Published: September 2017

The preparation of an unprecedented GeI‐GeI bonded digermylene [K2{Ge2(μ‐κ2:η2:η4‐2,6‐(2,6‐iPr2C6H3‐N)2‐4‐CH3C5H2N)2}] in an eclipsed conformation stabilized by two bridging diamidopyridyl ligands is presented. Although it exhibits an eclipsed conformation, the Ge−Ge bond length is 2.5168(6) Å, which is shorter than those in the trans‐bent and gauche digermylenes. In combination with two pendant amido groups, the GeI2 motif is employed as a building block to assemble the first example of octagermylene [Ge4(μ‐κ2:κ1‐2,6‐(2,6‐iPr2C6H3‐N)2‐4‐CH3C5H2N)2]2 showing a cyclic configuration and containing three distinct types of GeI−GeI bonds.
Controlling the Coordination Sphere of Alkyllithiums Results in Selective Reactions with Allylic Amines
Authors: Kroesen Ulrike , Unkelbach Christian , Schildbach Daniel , Strohmann Carsten
Published: September 2017

Described herein is a selective way to control the reaction of allylic amines with metalorganic bases depending on the amine handle as well as the metalorganic base is used. Depending on the number of coordinating groups within the amine handle either a selective carbometalation or deprotonation reaction can be performed. By changing the alkali metal within the base from lithium to either sodium or potassium, a change of chemoselectivity takes place and the reaction of piperidinoallylamine can be controlled.
The Antiretroviral Agent Nelfinavir Mesylate
Authors: Sanchez Cecilia G. , Molinski Steven V. , Gongora Rafael , Sosulski Meredith , Fuselier Taylor , MacKinnon Stephen S. , Mondal Debasis , Lasky Joseph A.
Published: September 2017

Objective

Transforming growth factor β1 (TGFβ1) is considered a key factor in fibrogenesis, and blocking TGFβ1 signaling pathways diminishes fibrogenesis in animal models. The objective of this study was to determine whether nelfinavir mesylate (NFV), a drug approved by the Food and Drug Administration (FDA) for treating HIV infection, could be repurposed to treat pulmonary fibrosis in patients with systemic sclerosis (SSc).

Methods

Normal human lung, ventricular, and skin fibroblasts as well as lung fibroblasts from SSc patients were used to determine the effects of NFV on fibroblast‐to‐myofibroblast differentiation mediated by TGFβ1. The efficacy of NFV was also evaluated in an animal model of SSc (bleomycin‐induced pulmonary fibrosis). In addition, in silico analysis was performed to determine novel off‐target effects of NFV.

Results

NFV inhibited TGFβ1‐mediated fibroblast‐to‐myofibroblast differentiation in lung fibroblasts through inhibition of the TGFβ1 canonical pathway. NFV also inhibited differentiation of skin and ventricular fibroblasts and adipocyte precursors into myofibroblasts. Activation of the TGFβ1/mechanistic target of rapamycin pathway inhibited autophagy in lung fibroblasts, favoring collagen deposition, and NFV counteracted this effect in a dose‐dependent manner. Moreover, NFV significantly reduced lung injury and collagen deposition in an animal model of SSc. In silico analysis of NFV binding proteins revealed new putative beneficial mechanisms of action, consistent with known common pathways in fibrogenesis.

Conclusion

NFV abrogates TGFβ1‐mediated fibroblast‐to‐myofibroblast differentiation and pulmonary fibrosis through off‐target protein binding, a finding that supports consideration of this FDA‐approved medication as an antifibrotic agent.
Guidewire electrosurgery‐assisted trans‐septal puncture
Authors: Khan Jaffar M. , Rogers Toby , Eng Marvin H. , Lederman Robert J. , Greenbaum Adam B.
Published: September 2017

Objectives

Electrifying a coronary guidewire may be a simple escalation strategy when trans‐septal needle puncture is unsuccessful.

Background

Radiofrequency energy to facilitate trans‐septal puncture through a dedicated device is costly and directly through a trans‐septal needle may be less safe. Our technique overcomes these limitations.

Methods

The technique was used in patients when trans‐septal needle penetration failed despite excessive force or tenting of the atrial septum. A coronary guidewire, connected to an electrosurgery pencil, was advanced through the trans‐septal needle, dilator, and sheath to perforate the interatrial septum during a short burst of radiofrequency energy. With the guidewire tip no longer “active,” the dilator and sheath were advanced safely over the wire into the left atrium.

In posthoc validation, radiofrequency assisted Brockenbrough needle and coronary guidewire punctures were made in freshly explanted pig hearts and compared under microscopy.

Results

Eight patients who required trans‐septal access for structural intervention were escalated to a guidewire electrosurgery strategy. Six patients had thickened fibrotic septum and two had prior surgical patch repair. Crossing was successful in all patients with no procedure related complications.

The size of punctures (1.11 ± 0.40 mm vs 0.37 ± 0.08 mm, P = .009) and blanched penumbra (3.62 ± 1.23 mm vs 0.72 ± 0.29 mm, P = .003) in pig atrial septum were larger with an electrified needle than electrified guidewire. The hole generated by the electrified guidewire was smaller than by the nonelectrified needle.

Conclusions

When conventional trans‐septal puncture fails, a coronary guidewire can be used to deliver brief radiofrequency energy safely and effectively. This technique is inexpensive and accessible to operators.
Management of left main coronary artery obstruction after transcatheter aortic valve replacement utilizing a periscope approach
Authors: Drexel Todd , Helmer Gregory , Garcia Santiago , Raveendran Ganesh
Published: September 2017

Coronary obstruction is a rare but potentially fatal complication of transcatheter aortic valve replacement (TAVR). It can result from native leaflet or stent frame obstruction of the coronary ostia. There are reports detailing the difficulty of percutaneous coronary intervention following TAVR, but none that describe a periscope approach to access the left main ostia in the presence of a braided nitinol frame. This report describes an alternative approach to access a coronary artery when the valve stent struts are prohibitive to equipment delivery.
A comparison of the fully repositionable and retrievable Boston Lotus and direct flow medical valves for the treatment of severe aortic stenosis: A single center experience
Authors: Giannini Francesco , Latib Azeem , Montorfano Matteo , Ruparelia Neil , Romano Vittorio , Longoni Matteo , Ferri Luca , Jabbour Richard , Mangieri Antonio , Regazzoli Damiano , Ancona Marco , Buzzatti Nicola , Azzalini Lorenzo , Tanaka Akihito , Agricola Eustachio , Chieffo Alaide , Alfieri Ottavio , Colombo Antonio
Published: September 2017

Background

Second generation transcatheter aortic valve implantation (TAVI) devices have been designed to reduce the rate of paravalvular leak (PVL) and other complications. An important technological advancement has been the ability to fully reposition devices to facilitate optimal implantation depth and position to reduce the likelihood of PVL.

Objectives

To compare procedural and 30‐day outcomes according to the Valve Academic Research Consortium (VARC)‐2 criteria following TAVI with the fully repositionable and retrievable Lotus and DFM devices.

Methods and Results

175 patients with severe aortic stenosis underwent transfemoral TAVI with the Lotus (n = 60) and DFM (n = 115) valve. Baseline clinical characteristics did not differ between the two groups. All devices were successfully implanted, with one case of valve embolization in the Lotus group. Device success (95 vs. 98.2%, P = 0.89), VARC‐defined combined safety (90 vs. 93%, P = 0.48), and clinical efficacy (86.7 vs. 90.4%, P = 0.65) rates at 30‐days were similar between Lotus and DFM groups. There was no severe PVL; one patient in both Lotus and DFM group developed moderate PVL after the procedure. The Lotus valve was associated with a higher rate of new pacemaker implantation (37.3 vs. 11.2%, P < 0.001) and a lower mean aortic gradient (9.4 ± 5 vs. 12.3 ± 5, P < 0.001) at 30‐days as compared with the DFM valve.

Conclusions

In this single‐center, retrospective analysis, both Lotus and DFM devices demonstrated excellent device success, safety and efficacy at 30‐day follow‐up. The DFM valve was associated with minimally higher transvalvular gradients but lower new pacemaker implantation rates when compared to the Lotus valve.
A Bunch‐like Copper Oxide Nanowire Array as an Efficient, Durable, and Economical Catalyst for the Methanolysis of Ammonia Borane
Authors: Cui Liang , Cao Xueying , Sun Xuping , Yang Wenrong , Liu Jingquan
Published: September 2017

The dehydrogenation of ammonia borane (AB) is an effective method to produce and store hydrogen, but efficient, durable, and low‐costing dehydrogenation catalysts are lacking. In this work, we successfully prepared a self‐supported bunch‐like copper oxide nanowire array on copper foam (b‐CuO NA/CF) through a facile in situ wet oxidation and annealing method. b‐CuO NA/CF shows high catalytic activity for the methanolysis of AB with an initial turnover frequency of 13.3 mol
 molCuO−1 min−1 and an activation energy of 34.7 kJ mol−1. Moreover, this self‐supported bunch‐like nanoarray catalyst could be easily separated from fuel solutions with excellent stability and maintained its activity even after prolonged use. It is thus an efficient, economical, and durable catalyst for hydrogen fuel cells.
Ultrathin Cobalt‐Based Metal–Organic Framework Nanosheets with Both Metal and Ligand Redox Activities for Superior Lithium Storage
Authors: Ning Yanqun , Lou Xiaobing , Li Chao , Hu Xiaoshi , Hu Bingwen
Published: September 2017

The controllable synthesis and structural tailoring of nanostructured metal–organic frameworks (MOFs) is of huge significance in boosting their potential for rechargeable batteries. We herein present the facile synthesis of cobalt‐based ultrathin metal–organic framework nanosheets (referred to as “u‐CoTDA”) by using 2,5‐thiophenedicarboxylic (H2TDA) as the organic building block through a one‐pot ultrasonic method for the first time. The obtained u‐CoTDA exhibits high reversible capacity (790 mAh g−1 after 400 cycles at 1 A g−1) and excellent rate capability (694 mAh g−1 at 2 A g−1), which outperforms its bulk counterpart. Moreover, the detailed lithiation/delithiation processes of u‐CoTDA were studied by the combination of Co K‐edge X‐ray absorption near edge structure (XANES), O K‐edge soft X‐ray spectroscopy (sXAS) and electron paramagnetic resonance (EPR) techniques, which demonstrate that both the CoII centers and organic ligands of u‐CoTDA are involved in the reduction/oxidation processes.
Synthesis of Tetranuclear Palladium(II) Complexes and Their Catalytic Activity for Cross‐Coupling Reactions
Authors: Puls Florian , Richter Nils , Kataeva Olga , Knölker Hans‐Joachim
Published: September 2017

We have developed a short and simple synthesis of tetranuclear palladium(II) complexes that have been structurally confirmed by X‐ray analysis. These complexes were formed in about 30 % overall yield by spontaneous metalation of dimethylaminoarene derivatives and exhibit a high stability. We have studied the utility of the tetranuclear palladium(II) complexes as precatalysts for Mizoroki–Heck and Suzuki–Miyaura cross‐coupling reactions. Our novel complexes show excellent catalytic activities with high turnover numbers (TON) and high turnover frequencies (TOF) (e.g., for the Suzuki–Miyaura reaction: TON up to 538000 and TOF up to 23400 h−1 at room temperature).
Circuit model of photoswitchable proteins
Authors: Rakos Balázs
Published: September 2017

Reversibly photoswitchable fluorescent proteins have already found applications in many biology‐related areas such as superresolution cellular imaging, interaction, and movement tracking of proteins. However, they are of great potential in information storage systems, and logic computing circuits of the future, as well. In this work, we present a simple circuit model capable of simulating the photoswitching behavior of such proteins. The circuit consists of basic electronic elements, and it can be easily extended to simulate complex photoswitching behavior, as well.
Studies on the Reactivity of the [W3S4Br3(edpp)3]+ [edpp = (2‐aminoethyl)diphenylphosphine] Cluster Cation towards Bases: The Active Role of the Amino Group
Authors: Pino‐Chamorro Jose A. , Beltrán Tomás F. , Fernández‐Trujillo M. Jesús , Basallote Manuel G. , Llusar Rosa , Algarra Andrés G.
Published: September 2017

Detailed studies through stopped‐flow 31P{1H} NMR spectroscopy and ESI‐MS were performed for the reactions of the [W3S4Br3(edpp)3]+ [edpp = (2‐aminoethyl)diphenylphosphine] cluster with bases such as NaOH and Et3N in acetonitrile. For the reaction with OH– ions, the study allowed the identification of hydroxo species and the development of a procedure for the synthesis of the [W3S4(OH)3(edpp)3]+ cluster in high yields. This involves the substitution of the coordinated bromide ligands by OH– ligands, and the associated kinetics is several orders of magnitude faster than those with Cl–, F– and SCN– anions. The reactivity with Et3N is quite different and essentially leads to the formation of species resulting from proton abstraction at the NH2 groups of the edpp ligands, and the amine acts as a base. DFT calculations provided a rationalization of the experimental findings by showing that Et3N coordination does not occur even in the presence of a vacant coordination site. The computed pKa values for the different species involved in these reactions indicate the possibility of proton exchange between the NH2 groups of edpp and Et3N, and this behaviour was confirmed by the NMR spectroscopy and ESI‐MS data. The formation of intermediate cluster species containing the conjugate base of edpp also facilitates bromide dissociation and, thus, provides a reaction pathway with a lower energy barrier that justifies the faster formation of [W3S4(OH)3(edpp)3]+ with respect to other [W3S4X3(edpp)3]+ (X = Cl, F, SCN) clusters.
A Ni(salen)‐Based Metal–Organic Framework: Synthesis, Structure, and Catalytic Performance for CO2 Cycloaddition with Epoxides
Authors: Fan Yamei , Li Jiawei , Ren Yanwei , Jiang Huanfeng
Published: September 2017

A three‐dimensional (3D) chiral metal–organic framework [Cd2{Ni(salen)}(DMF)3]·4DMF·7H2O (1) based on a new enantiopure tetracarboxyl‐functionalized metallosalen Ni(H4salen) {where H6salen is (R,R)‐N,N′‐bis[3‐tert‐butyl‐5‐(3,5‐dicarboxybenzyl)salicylidene]‐1,2‐diphenylethylenediame} was synthesized and characterized by infrared spectroscopy, thermogravimetric analysis, nitrogen and carbon dioxide adsorption, and powder and single‐crystal X‐ray diffractions. In 1, the dinuclear Cd2 cluster [Cd2(COO)4(DMF)3] as a node is cross‐linked by four isophthalate groups on the salen ligands, forming a 2D lamellar structure, which are further linked by Ni(salen) into the 3D network with a 1D open channel (ca. 7.0 × 8.0 Å2) along the a axis. On account of its porosity, Lewis acid sites, and moderate uptake for CO2, 1 can be used as an efficient heterogeneous catalyst for the CO2 cycloaddition with epoxides under relatively mild conditions. Moreover, the bulky epoxide shows a decrease in activity with an increase in the alkyl chain length of the substrate as a result of the confinement effect of 1, showing size‐dependent selectivity.