bluuebunny/crossref_metadata_2025 huggingface dataset:
Genre Analysis of Iranian TEFL Students’ Master Theses
Authors: Shirani Shadi , Chalak Azizeh
Published: April 2018

Genre analysis dealing with the study of situated language in a particular context is regarded as a crucial component in every communication in general and academic writing texts in particular. Furthermore, recently it has been set as a requirement for the graduated students to pursue a shared rhetorical pattern for generating an academic text. Several researchers have recommended detailed explanations for rhetorical structures of various parts of academic texts, and an extensive literature is dedicated to investigate different academic genres such as research articles, theses, and dissertations in English. But, there are not enough studies that work on the thesis as a whole product and analyze all sections together and not separately. Therefore, 40 M.A. theses produced by Iranian TEFL students at Islamic Azad University (IAU), Isfahan (Khorasgan) Branch were collected and analyzed for the rhetorical structures of the Introduction, Method, Results, and Discussion (IMRD) sections in order to accomplish the objectives of the study. Through calculating the frequencies and percentages of data, it was revealed that a number of moves in different sections was absent in the theses.
Space, Time and Place in Samuel Beckett’s Collected Shorter Plays: That Time, Rockaby, Come and Go, Quad and Cascando
Authors: Zarrinjooee Bahman , Yaghoobi Marzieh
Published: April 2018

This paper analyzes the concepts of time and space in Samuel Beckett’s (1906-1989) Collected Shorter Plays based on Martin Heidegger’s (1889-1976) philosophy of being and time. From long time ago, the notions of time and space have an outstanding importance in the life of man, and in every period and time, this subject has its consequences and influential importance on the way people act, behave, think, and confront each other. Regarding philosophy as the study of basic questions of being and knowledge and study of the nature of human thought and the world, these concepts gain especial meaning by means of which a novel and new world of human understanding will be revealed. The reason that the concept of time is important refers to the fact that human being is imprisoned, monitored and controlled through the gates of this concept. They are limited by this philosophical debate, and humanity is nothing and has no meaning out of the concept of time.
“The principle features of English Pragmatics in applied linguistics”
Authors: Siddiqui Ali
Published: April 2018

Pragmatics is a major study of linguistics that defines the hidden meanings of a writer and speaker towards the conjoining effort of linguistic form. It is stated along with its user. Within pragmatics the importance is usually given to a contextual meaning, where every other meaning of given context is referred to speaker as well as writer that wishes to state something. Therefore, the field of Pragmatics helps to deal with speaker’s intended meaning. It is the scope of pragmatics that shows some of linguistic relating terms. They are often stated as utterances, which are informative contribution through physical or real utterance of the meaning, uses of word, structure and setting of the conversations. The second is a speech act that focuses on what the writer and the speaker wants to say to someone. So in this way, the major purpose of pragmatics is engaged with addressor’s intended words to communicate with the addressee.
World-Class or World-Ranked Universities? Performativity and Nobel Laureates in Peace and Literature
Authors: Denman Brian
Published: April 2018

It is erroneous to draw too many conclusions about global university rankings. Making a university’s reputation rest on the subjective judgement of senior academics and over-reliance on interpreting and utilising secondary data from bibliometrics and peer assessments have created an enmeshed culture of performativity and over-emphasis on productivity. This trend has exacerbated unhealthy competition and mistrust within the academic community and also discord outside its walls. Surely if universities are to provide service and thrive with the advancement of knowledge as a primary objective, it is important to address the methods, concepts, and representation necessary to move from an emphasis on quality assurance to an emphasis on quality enhancement.This overview offers an analysis of the practice of international ranking. US News and World Report Best Global Universities Rankings, the Times Supplement World University Rankings, and the Shanghai Jiao Tong University Academic Ranking of World Universities are analysed. While the presence of Nobel laureates in the hard sciences has been seized upon for a number of years as quantifiable evidence of producing world-class university education, Nobel laureates in peace and literature have been absent from such rankings. Moreover, rankings have been based on employment rather than university affiliation. Previously unused secondary data from institutions where Nobel peace and literature laureates completed their terminal degrees are presented. The purpose has been to determine whether including peace and literature laureates might modify rankings. A caveat: since the presence of awarded Nobel laureates affiliated at various institutions results in the institutions receiving additional ranking credit in the hard sciences of physics, chemistry, medicine, and economic sciences, this additional credit is not recognised in the approach used in this study. Among other things, this study suggests that if educational history were used in assembling the rankings as opposed to one’s university affiliation, conclusions might be very different.
Glykole – Methode zur Bestimmung von Diethylenglykol, Ethylenglykol und Propylenglykol in der Luft am Arbeitsplatz mittels Gaschromatographie [Air Monitoring Methods in German language, 2018]
Authors: Giesen Y. , Friedrich C. , Breuer D. , Fauss J. , Hebisch R. , Hartwig A. ,   MAK Commission
Published: April 2018

This analytical method is a validated measurement procedure for the determination and limit value monitoring of diethylene glycol, ethylene glycol and 1,2‐propylene glycol in workplace air. With this method simultaneously airborne glycols in the gaseous state as well as particles are collected. Sampling is performed by drawing a defined volume of air through the sampling system GGP‐Mini consisting of a glass fibre filter and a charcoal tube connected downstream using a suitable flow‐regulated pump. The flow rate is set to 0.33 L/min with a recommended air sample volume of 40 L. The collected glycols are desorbed with a mixture of dichloromethane/methanol containing 1‐hexanol as internal standard and then analysed by means of gas chromatography using FID. The quantitative evaluation is based on calibration functions obtained by means of multiple‐point calibrations. The limit of quantification (LOQ) for the individual glycols is 0.5 mg/m3based on an air sample volume of 40 L.
Thiodiethylenbis(3‐(3,5‐di‐tert‐butyl‐4‐hydroxyphenyl)propionsäureester) [MAK Value Documentation in German language, 2018]
Authors: Hartwig A. ,   MAK Commission
Published: April 2018

The German Commission for the Investigation of Health Hazards of Chemical Compounds in the Work Area has evaluated thiodiethylene bis[3‐(3,5‐di‐tert‐butyl‐4‐hydroxyphenyl)propionate] [
41484‐35‐9
] to derive a maximum concentration at the workplace (MAK value), considering all toxicological endpoints. Available publications and unpublished study reports are described in detail. Critical effects are hepatic hypertrophy and increased liver weight in male rats in a subchronic feeding study with a NOAEL of 12.5 mg/kg body weight and day. As there is no irritating potential, the oral study can be used to derive a MAK value of 2 mg/m
3
for the inhalable fraction. As the critical effect is systemic, Peak Limitation Category II is assigned. The default excursion factor of 2 is set as no half‐life in blood is known. Classification in Pregnancy Risk Group D is indicated because developmental toxicity studies are lacking. Thiodiethylene bis[3‐(3,5‐di‐tert‐butyl‐4‐hydroxyphenyl)propionate] is not genotoxic. Carcinogenicity studies are not available. The substance is not a contact sensitizer in humans and guinea pigs. Skin contact is not expected to contribute significantly to systemic toxicity.
Ethanol [MAK Value Documentation in German language, 2018]
Authors: Hartwig A. ,   MAK Commission
Published: April 2018

Ethanol is produced endogenously. Uptake of greater amounts depresses the central nervous system and is carcinogenic especially for the liver. The former MAK value of 500 ml/m
3
was derived from a study in exposed subjects at rest. It was calculated that at 500 ml/m
3
the AUC (product of the blood ethanol concentration and time of exposure) was similar to the standard deviation of the lifetime AUC of endogenous ethanol. At 50 W physical activity, which corresponds to a respiratory volume of 10 m
3
per day, the blood concentration of ethanol is about twice as high as compared with that of subjects in rest. Therefore, taking into account the increased respiratory volume at the workplace (see List of MAK‐ and BAT values chapters I b and I c), the MAK value is now lowered to 200 ml/m
3
. Since a systemic effect is critical, Peak Limitation Category II is retained. As irritation was observed at 1900 ml/m
3
, the excursion factor is now set to 4.

After oral uptake, ethanol causes developmental toxicity. The lowest reported concentration of ethanol in the blood in pregnant rats causing effects in the F1‐generation was 300 mg/l with a NOAEC of 70 mg/l. In an inhalation study, the NOAEC for developmental neurotoxicity in rats was 10 000 ml/m
3
which according to a PBPK model corresponds to a concentration of ethanol in the blood of about 65 mg/l. These NOAEC are more than 10 times as high as the ethanol concentration of 1 mg/l in humans exposed to 200 ml/m
3
even considering the increased respiratory volume at the workplace. Therefore, ethanol remains assigned to Pregnancy Risk Group C.
Prediction of Novel p‐Type Transparent Conductors in Layered Double Perovskites: A First‐Principles Study
Authors: Xu Jian , Liu Jian‐Bo , Wang Jianfeng , Liu Bai‐Xin , Huang Bing
Published: April 2018

The development of high‐performance transparent conductors (TCs) is critical to various technologies from transparent electronics to solar cells. Whereas n‐type TCs have been extensively applied in many electronic devices, their p‐type counterparts have not been largely commercialized due to the lack of ideal materials. Combining atomic replacement and first‐principles calculations, seven stable layered double perovskites are identified, i.e., Cs4CuSb2Cl12‐like Cs4M2+B3+2XVII12 compounds as promising p‐type TCs with sufficiently large bandgaps, delocalized wavefunction distribution with s‐orbital components in valence band maximum (VBM) and the antibonding character of VBM to ensure their optical transparency, light hole effective masses, and intrinsic good p‐type conductivities, respectively. Taking Cs4CdSb2Cl12 as a representative example, it is demonstrated that under Cd‐poor (Cl‐rich) conditions, Cs4CdSb2Cl12 could exhibit excellent p‐type conductivity with high hole concentration, contributed by the intrinsic shallow‐acceptor CdSb with extremely low formation energy. Generally, the other 6 Cs4M2+B3+2XVII12 compounds exhibit similar intrinsic p‐type defect properties as Cs4CdSb2Cl12, which could rank them as the top p‐type TCs discovered or predicted until now.
Comparison of supercapacitive behaviors of polyaniline doped with two low‐molecular‐weight organic acids: D‐tartaric acid and citric acid
Authors: Tan Wensheng , Fu Renjun , Ji Hong , Wu Datong , Xu Yueguo , Kong Yong
Published: April 2018

Polyaniline (PANI) is chemically synthesized using two low‐molecular‐weight organic acids (D‐tartaric acid and citric acid) as the dopants, respectively. The doped PANI is characterized by field emission scanning electron microscopy, FT‐IR spectra, and X‐ray diffraction. The two doped PANIs exhibit different electrochemical properties, especially in the supercapacitive behaviors. Compared with citric acid‐doped PANI, D‐tartaric acid‐doped PANI shows higher specific capacitance (525 F/g at 1 A/g) and cyclic stability. The good electrochemical behaviors of D‐tartaric acid‐doped PANI might be attributed to the two carboxyl groups of D‐tartaric acid, which are beneficial to the oriented growth of PANI chains. The results demonstrate that compared with citric acid, D‐tartaric acid is a promising dopant for PANI used in supercapacitors.
Synthesis and characterization of a novel high‐performance benzoxazine from benzaldehyde‐based bisphenol
Authors: Gnanapragasam Savaridoss , Krishnan Srinivasan , Arumugam Hariharan , Chavali Murthy , Alagar Muthukaruppan
Published: April 2018

In this work, a new type of benzaldehyde‐based bisphenol (BPBA) was successfully synthesized which in turn was converted into a structurally modified and moderately low‐temperature‐cure benzoxazine (BPBA‐Bz) using three different amino compounds (aniline, allyl amine, and furfuryl amine) and formaldehyde at appropriate conditions. The molecular structure of these benzoxazines was confirmed by FTIR, 1H NMR, and 13C NMR. The curing behavior and thermal stability of the benzoxazines were analyzed using differential scanning calorimetric and thermogravimetric analysis, respectively. Data obtained from thermal analysis infer that the synthesized benzoxazines were found to possess a comparatively lower cure temperature (Tp) and enhanced glass transition temperature (Tg), thermal stability, and char yield than those of conventional benzoxazines. In addition, the influencing effect of catalysts on the reduction in curing temperature of benzoxazines was studied with different phenolic compounds viz 4‐hydroxyphenyl maleimide, imidazole core bisphenol, and monohydroxy imidazole (MHI) to utilize them in the form of adhesives, sealants, encapsulants, and matrices with other substrates for different applications. Among the different catalysts used, MHI was found to be the most efficient in reducing the cure temperature which brings down the polymerization temperature to 171°C from 229°C. Further, the effect of improvement of thermal stability and flame retardant behavior were studied by blending bismaleimide‐based cross‐linkers namely 4, 4′‐diaminodiphenylsulfone‐based bismaleimide (BMI‐S) and 4, 4′‐diaminodiphenylmethane‐based bismaleimide (BMI‐M). From the data resulted, it is concluded that the blends of structurally modified BPBA‐based benzoxazines with BMI possess an significantly improved thermal stability and char yield than those of conventional benzoxazines and can be conveniently used in the form of encapsulants, sealants, adhesives, and matrices in the fields of automobile and microelectronic applications for better performance and improved longevity.
The Formal Systems Response to Violence Against Women in India: A Cultural Lens
Authors: Menon Suvarna V. , Allen Nicole E.
Published: April 2018

Violence against women (VAW) has become an increasingly salient issue in India, with women at risk for different forms of gendered violence. While there may be universal elements in the international phenomenon of violence against women, it is a complex, multifaceted phenomenon that takes shape in a particular sociocultural context. The current study employs a narrative framework to systematically examine how culture is expressed in the formal systems response and women's help‐seeking in two metropolitan cities in India. Specifically, we sought to understand, among formal system responders (a) what characterizes the dominant cultural narratives on violence against women in India; and (b) how these are reflected in community narratives of formal responders. Interviews were conducted with formal responders working in different types of local agencies (e.g., police, health centers, and non‐governmental agencies). The paper illustrates the major themes that emerged from participants’ narratives describing the multilevel influences that shape the formal system response to violence against women and women's help‐seeking efforts. The implications of these findings for effective response and directions for future research are summarized.
Novel Oil‐in‐Water Emulsions Stabilised by Ionic Surfactant and Similarly Charged Nanoparticles at Very Low Concentrations
Authors: Xu Maodong , Jiang Jianzhong , Pei Xiaomei , Song Binglei , Cui Zhenggang , Binks Bernard P.
Published: April 2018

Novel oil‐in‐water (O/W) emulsions are prepared which are stabilised by a cationic surfactant in combination with similarly charged alumina nanoparticles at concentrations as low as 10−5 m and 10−4 wt %, respectively. The surfactant molecules adsorb at the oil‐water interface to reduce the interfacial tension and endow droplets with charge ensuring electrical repulsion between them, whereas the charged particles are dispersed in the aqueous films between droplets retaining thick lamellae, reducing water drainage and hindering flocculation and coalescence of droplets. This stabilization mechanism is universal as it occurs with different oils (alkanes, aromatic hydrocarbons and triglycerides) and in mixtures of anionic surfactant and negatively charged nanoparticles. Further, such emulsions can be switched between stable and unstable by addition of an equimolar amount of oppositely charged surfactant which forms ion pairs with the original surfactant destroying the repulsion between droplets.
Homo‐Helical Rod Packing as a Path Toward the Highest Density of Guest‐Binding Metal Sites in Metal–Organic Frameworks
Authors: Zhao Xiang , Shimazu Matthew S. , Chen Xitong , Bu Xianhui , Feng Pingyun
Published: April 2018

In porous materials, metal sites with coordinate solvents offer opportunities for many applications, especially those promoted by host–guest chemistry, but such sites are especially hard to create for Li‐based materials, because unlike transition metals, lithium does not usually possess a high‐enough coordination number for both framework construction and guest binding. This challenge is addressed by mimicking the functional group ratio and metal‐to‐ligand charge ratio in MOF‐74. A family of rod‐packing lithium–organic frameworks (CPM‐47, CPM‐48, and CPM‐49) were obtained. These materials exhibit an extremely high density of guest‐binding lithium sites. Also unusual is the homo‐helical rod‐packing in the CPM series, as compared to the hetero‐helical rod packing by helices of opposite handedness in MOF‐74. This work demonstrates new chemical and structural possibilities in developing a record‐setting high density of guest‐binding metal sites in inorganic–organic porous materials.
A Bis(μ‐oxido)dinickel(III) Complex with a Triplet Ground State
Authors: Morimoto Yuma , Takagi Yusaku , Saito Toru , Ohta Takehiro , Ogura Takashi , Tohnai Norimitsu , Nakano Motohiro , Itoh Shinobu
Published: April 2018

A bis(μ‐oxido)dinickel(III) complex was synthesized and characterized by single crystal X‐ray diffraction, resonance Raman, and ESI‐mass measurements. Magnetic susceptibility measurements by SQUID and EPR spectroscopy reveal that the complex has a triplet ground state, which is unprecedented for high‐valent metal (M) complexes with [M2(μ‐O)2] diamond core. DFT studies indicate ferromagnetic coupling of the nickel(III) centers. The complex exhibits hydrogen abstraction reactivity and oxygenation reactivity toward external substrates.
Enantioselective Hydroamidation of Enals by Trapping of a Transient Acyl Species
Authors: Yuan Pengfei , Chen Jiean , Zhao Jing , Huang Yong
Published: April 2018

An enantioselective synthesis of β‐chiral amides through asymmetric and redox‐neutral hydroamidation of enals is reported. In this reaction, a chiral N‐heterocyclic carbene (NHC) catalyst reacts with enals to generate the homoenolate intermediate. Upon highly enantioselective β‐protonation through proton‐shuttle catalysis, the resulting azolium intermediate reacts with imidazole to yield the key β‐chiral acyl species. This transient intermediate provides access to diversified β‐chiral carbonyl derivatives, such as amides, hydrazides, acids, esters, and thioesters. In particular, β‐chiral amides can be prepared in excellent yield and ee (40 chiral amides, up to 95 % yield and 99 % ee). This modular strategy overcomes the challenge of disruption of the highly selective proton‐shuttling process by basic amines.
Separation of Acetylene from Carbon Dioxide and Ethylene by a Water‐Stable Microporous Metal–Organic Framework with Aligned Imidazolium Groups inside the Channels
Authors: Lee Jaechul , Chuah Chong Yang , Kim Jaheon , Kim Youngsuk , Ko Nakeun , Seo Younggyu , Kim Kimoon , Bae Tae Hyun , Lee Eunsung
Published: April 2018

Separation of acetylene from carbon dioxide and ethylene is challenging in view of their similar sizes and physical properties. Metal–organic frameworks (MOFs) in general are strong candidates for these separations owing to the presence of functional pore surfaces that can selectively capture a specific target molecule. Here, we report a novel 3D microporous cationic framework named JCM‐1. This structure possesses imidazolium functional groups on the pore surfaces and pyrazolate as a metal binding group, which is well known to form strong metal‐to‐ligand bonds. The selective sorption of acetylene over carbon dioxide and ethylene in JCM‐1 was successfully demonstrated by equilibrium gas adsorption analysis as well as dynamic breakthrough measurement. Furthermore, its excellent hydrolytic stability makes the separation processes highly recyclable without a substantial loss in acetylene uptake capacity.
Photoluminescence Quenching in Self‐Assembled CsPbBr3 Quantum Dots on Few‐Layer Black Phosphorus Sheets
Authors: Muduli Subas , Pandey Padmini , Devatha Gayathri , Babar Rohit , M Thripuranthaka , Kothari Dushyant C. , Kabir Mukul , Pillai Pramod P. , Ogale Satishchandra
Published: April 2018

An ordered self‐assembly of CsPbBr3 quantum dots (QDs) was generated on the surface of few‐layer black phosphorus (FLBP). Strong quenching of the QD fluorescence was observed, and analyzed by time‐resolved photoluminescence (TR‐PL) studies, DFT calculations, and photoconductivity measurements. Charge transfer by type I band alignment is suggested to be the cause of the observed effects.
Biosynthesis and Heterologous Production of Vioprolides: Rational Biosynthetic Engineering and Unprecedented 4‐Methylazetidinecarboxylic Acid Formation
Authors: Yan Fu , Auerbach David , Chai Yi , Keller Lena , Tu Qiang , Hüttel Stephan , Glemser Amelie , Grab Hanusch A. , Bach Thorsten , Zhang Youming , Müller Rolf
Published: April 2018

Vioprolides are a promising class of anticancer and antifungal lead compounds produced by the myxobacteriumCystobacter violaceusCb vi35. Previously nothing had been reported about their biosynthesis, including the origin of the unusual 4‐methylazetidinecarboxylic acid (MAZ) moiety. We describe the vioprolide biosynthetic gene cluster and solve the production obstacle by expression in three heterologous hosts. Starting from unstable production in the wild type at the single‐digit mg L−1scale, we developed a stable host that eventually allowed for yields of up to half a gram per liter in fermenters. Gene inactivations coupled with isotope feeding studies identified an S‐adenosylmethionine (SAM)‐dependent enzyme and a methyltransferase as being responsible for the generation of the MAZ building block by a proposed mechanism unprecedented in bacteria. Furthermore, nonnatural vioprolide derivatives were generated via rational genetic engineering.
Recent studies on electrospinning preparation of patterned, core–shell, and aligned scaffolds
Authors: Liu Huichao , Mukherjee Shayanti , Liu Yong , Ramakrishna Seeram
Published: April 2018

Electrospinning is one of the most important ways to prepare continuous, high porosity, large specific surface area, and uniform diameter micro‐ and nanoscale fibers. So, it has been widely used in the preparation of micro/nano‐sized polymer scaffolds for tissue engineering in recent years. In addition to the versatility in material selection and the processing variables, electrospinning also provides a lot of methods to regulate fiber structure and scaffolds morphology. For example, the near‐field electrospinning can provide a method to solve the problem of uncontrollable fiber path; the melt electrospinning eliminates the risk of solvent residue in the construct; the addition of different auxiliary electrodes can make the fiber patterned. This review introduces the underlying principle and characteristics of above electrospinning applied in biomedicine. Herein, we highlight a comprehensive understanding of the technical aspect of this technology for versatile fibers with patterned, core–shell and aligned morphology. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46570.
Cost-effectiveness of population-based vascular disease screening and intervention in men from the Viborg Vascular (VIVA) trial
Authors: Søgaard R , Lindholt J S
Published: April 2018

Background

Population-based screening and intervention for abdominal aortic aneurysm, peripheral artery disease and hypertension was recently reported to reduce the relative risk of mortality among Danish men by 7 per cent. The aim of this study was to investigate the cost-effectiveness of vascular screening versus usual care (ad hoc primary care-based risk assessment) from a national health service perspective.

Methods

A cost-effectiveness evaluation was conducted alongside an RCT involving all men from a region in Denmark (50 156) who were allocated to screening (25 078) or no screening (25 078) and followed for up to 5 years. Mobile nurse teams provided screening locally and, for individuals with positive test results, referrals were made to general practices or hospital-based specialized centres for vascular surgery. Intention-to-treat-based, censoring-adjusted incremental costs (2014 euros), life-years and quality-adjusted life-years (QALYs) were estimated using Lin's average estimator method. Incremental net benefit was estimated using Willan's estimator and sensitivity analyses were conducted.

Results

The cost of screening was estimated at €148 (95 per cent c.i. 126 to 169), and the effectiveness at 0·022 (95 per cent c.i. 0·006 to 0·038) life-years and 0·069 (0·054 to 0·083) QALYs, generating average costs of €6872 per life-year and €2148 per QALY. At a willingness-to-pay threshold of €40 000 per QALY, the probabilities of cost-effectiveness were 98 and 99 per cent respectively. The probability of cost-effectiveness was 71 per cent when all the sensitivity analyses were combined into one conservative scenario.

Conclusion

Vascular screening appears to be cost-effective and compares favourably with current screening programmes.
Mental state at time of offense in the hot tub: An empirical examination of concurrent expert testimony in an insanity case
Authors: Krauss Daniel A. , Gongola Jennifer , Scurich Nicholas , Busch Brendan
Published: April 2018

The role of experts and their presentation of testimony in insanity cases remain controversial. In order to decrease possible expert bias associated with this testimony, a number of different alternatives to adversarial presentation have been suggested. Two such alternatives are the use of court‐appointed experts and the use of concurrent testimony (or “hot‐tubbing”), in which opposing experts provide testimony concurrently and converse with each other directly. An experiment using a sample of venire jurors (n = 150) tested the effect of these alternatives.

Results indicate that participants' pre‐existing attitudes towards the insanity defense had significant effects on their comprehension of expert testimony, their evaluations of the two opposing experts, and their eventual verdicts, over and above the presentation format (i.e., concurrent vs. traditional testimony) or the use of court‐appointed experts (vs. traditional adversarial experts). When concurrent testimony was presented, defense‐favoring experts were perceived by jurors as more credible than their traditional counterparts, though comprehension of the testimony did not increase; nor did the presentation format or the affiliation of the experts affect verdicts. The legal and policy implications of the incorporation of the hot‐tubbing procedure to US courts are discussed.
Chromatographic parameter determination for complex biological feedstocks
Authors: Pirrung Silvia M. , Parruca da Cruz Diogo , Hanke Alexander T. , Berends Carmen , Van Beckhoven Ruud F.W.C. , Eppink Michel H.M. , Ottens Marcel
Published: April 2018

The application of mechanistic models for chromatography requires accurate model parameters. Especially for complex feedstocks such as a clarified cell harvest, this can still be an obstacle limiting the use of mechanistic models. Another commonly encountered obstacle is a limited amount of sample material and time to determine all needed parameters. Therefore, this study aimed at implementing an approach on a robotic liquid handling system that starts directly with a complex feedstock containing a monoclonal antibody. The approach was tested by comparing independent experimental data sets with predictions generated by the mechanistic model using all parameters determined in this study. An excellent agreement between prediction and experimental data was found verifying the approach. Thus, it can be concluded that RoboColumns with a bed volume of 200 μL can well be used to determine isotherm parameters for predictions of larger scale columns. Overall, this approach offers a new way to determine crucial model input parameters for mechanistic modelling of chromatography for complex biological feedstocks. © 2018 The Authors Biotechnology Progress published by Wiley Periodicals, Inc. on behalf of American Institute of Chemical Engineers Biotechnol. Prog., 34:1006–1018, 2018
Single step recombinant human growth hormone (rhGH) purification from milk by peptide affinity chromatography
Authors: Saavedra Soledad L. , Martínez Ceron María C. , Giudicessi Silvana L. , Forno Guillermina , Bosco María Belén , Marani Mariela M. , Erra‐Balsells Rosa , Albericio Fernando , Cascone Osvaldo , Camperi Silvia A.
Published: April 2018

Recombinant human growth hormone (rhGH) is used for the treatment of several pathologies, most of them related to growth. Although different expression systems can be used for its production, the milk from transgenic cows is one of the most interesting due to the high rhGH level achieved (5 g/L). We have designed and synthesized short peptides (9 or 10 amino acid long) using Fmoc chemistry and studied their ability to purify rhGH from milk once immobilized on an agarose support. Using spiked milk with the hormone as a sample, rhGH was purified with 88% yield and 92% purity in a single step with a fold purification of 4.5. © 2018 American Institute of Chemical Engineers Biotechnol. Prog., 34:999–1005, 2018
Sequence‐Selective Recognition of Peptides in Aqueous Solution: A Supramolecular Approach through Micellar Imprinting
Authors: Zhao Yan
Published: April 2018

Sequence‐selective recognition of peptides in water has been one of the most important and yet unsolved problems in bioorganic and supramolecular chemistry. The motivation comes from not only the importance of these molecules in biology but also the fundamental challenges involved in the research. Molecular imprinting in doubly cross‐linked surfactant micelles offers a unique solution to this problem by creating a “supramolecular code” on the micelle surface that matches the structural features of the peptide chain. Hydrophobic “dimples” are constructed on imprinted micelles that match the hydrophobic side chains of the peptide precisely in size and shape. Polar binding functionalities are installed at correct positions to interact with specific acidic and basic groups on the peptide. Secondary hydrogen‐bonding and electrostatic interactions are introduced through imprinting to enhance the binding affinity and specificity further. Binding affinities of tens of nanomolar are readily achieved in water for biological peptides with over a dozen residues. Excellent binding selectivity is observed even for subtly different peptides. The synthesis of these protein‐sized nanoparticles involves a one‐pot reaction complete within 2 days; purification requires nothing but precipitation and solvent washing. These features make the molecularly imprinted nanoparticles (MINPs) highly promising peptide‐binding “artificial antibodies” for chemical and biological applications.
Thiazoloisoindigo: A Building Block that Merges the Merits of Thienoisoindigo and Diazaisoindigo for Conjugated Polymers
Authors: Li Chenchen , Un Hio‐Ieng , Peng Jiawei , Cai Mian , Wang Xiao , Wang Jieyu , Lan Zhenggang , Pei Jian , Wan Xiaobo
Published: April 2018

Thiazoloisoindigo, a novel structural variation of isoindigo, is for the first time utilized to synthesize conjugated polymers. The polymer based on thiazoloisoindigo merges the advantages of the one based on thienoisoindigo and diazaisoindigo; it not only exhibits a greatly redshifted UV/Vis absorption to the near‐infrared region owing to its strong tendency to form quinoidal structures, similar to that based on thienoisoindigo, but also shows excellent ambipolar mobility (hole: 3.93, electron: 1.07 cm2 V−1 s−1) in organic field‐effect transistors (OFETs), superior to that based on diazaisoindigo, showing the strong electron‐withdrawing capability of thiazoloisoindigo.
Pd‐Catalyzed Selective Remote Ring Opening of Polysubstituted Cyclopropanols
Authors: Singh Sukhdev , Simaan Marwan , Marek Ilan
Published: April 2018

The distant functionalization of ω‐ene cyclopropanols is induced by a Pd‐catalyzed Heck reaction triggering a “metal‐walk” and selective ring‐opening of the three‐membered ring. This approach provides a new class of acyclic aldehydes possessing concomitantly a stereodefined double bond and a quaternary carbon stereocenter α to the carbonyl group.
Copper‐Catalyzed One‐Pot Borylative Aldolisation β‐Fluoride Elimination for the Formal Addition of Acrylates to Carbonyl Moieties
Authors: Rasson Corentin , Stouse Adrien , Boreux Arnaud , Cirriez Virginie , Riant Olivier
Published: April 2018

Herein, we report the copper‐catalyzed domino borylation/aldolisation of methyl 2‐fluoroacrylate with carbonyl compounds followed by an elimination to give Morita–Baylis–Hillman (MBH) analogues. The optimal conditions described were shown to be compatible with a wide range of aldehydes and ketones. Unprecedented MBH adducts derived from ketones were efficiently synthesized.
Enantioselective separation of (±)‐β‐hydroxy‐1,2,3‐triazoles by supercritical fluid chromatography and high‐performance liquid chromatography
Authors: Alvarenga Natália , Porto André L.M. , Barreiro Juliana Cristina
Published: April 2018

This paper reports the enantioseparation of β‐hydroxy‐1,2,3‐triazole derivatives, which present a broad range of biological properties, by supercritical fluid chromatography (SFC) and high‐performance liquid chromatography techniques (HPLC). Polysaccharide‐based chiral columns (cellulose and amylose) were used to evaluate the separation in SFC and HPLC. Time of analyses, consumption of solvent, and parameter optimization were reduced using SFC technique. The columns based on cellulose chiral stationary phase using 2‐propanol and ethanol as modifiers showed the best results for the enantioresolution of the (±)‐β‐hydroxy‐1,2,3‐triazoles by SFC analyses. These techniques were applied to evaluate the selectivity of biocatalytic reduction of β‐keto‐1,2,3‐triazoles by marine‐derived fungus Penicillium citrinum CBMAI 1186 to obtain the (±)‐β‐hydroxy‐1,2,3‐triazoles.
Left ventricular end‐diastolic volume predicts exercise capacity in patients with a normal ejection fraction
Authors: Nambiar Lakshmi , Li Anita , Howard Alan , LeWinter Martin , Meyer Markus
Published: April 2018

Background

Exercise capacity is a powerful predictor of all‐cause mortality. The duration of exercise with treadmill stress testing is an important prognostic marker in both healthy subjects and patients with cardiovascular disease. Left ventricular (LV) structure is known to adapt to sustained changes in level of physical activity.

Hypothesis

Poor exercise capacity in patients with a preserved LV ejection fraction (LVEF) should be reflected in smaller LV dimensions, and a normal exercise capacity should be associated with larger LV dimensions, irrespective of comorbidities.

Methods

This hypothesis was first tested in a cross‐sectional analysis of 201 patients with normal chamber dimensions and preserved LVEF who underwent a clinically indicated treadmill stress echocardiogram using the Bruce protocol (derivation cohort). The best LV dimensional predictor of exercise capacity was then tested in 1285 patients who had a Bruce‐protocol treadmill exercise stress test and a separate transthoracic echocardiogram (validation cohort).

Results

In the derivation cohort, there was a strong positive relationship between exercise duration and LV end‐diastolic volume deciles (r
2 = 0.85; P < 0.001). Regression analyses of several LV dimensional parameters revealed that the body surface area–based LV end‐diastolic volume index was best suited to predict exercise capacity (P < 0.0001). In a large validation cohort, LV end‐diastolic volume was confirmed to predict exercise capacity (P < 0.0001).

Conclusions

Among patients referred for outpatient stress echocardiography who have a preserved LVEF and no evidence of myocardial ischemia, we found a strong positive association between LV volume and exercise capacity.
Anal cytological lesions and HPV infection in individuals at increased risk for anal cancer
Authors: Donà Maria Gabriella , Benevolo Maria , Latini Alessandra , Rollo Francesca , Colafigli Manuela , Frasca Mirko , Zaccarelli Mauro , Giglio Amalia , Moretto Domenico , Pescarmona Edoardo , Cristaudo Antonio , Giuliani Massimo
Published: April 2018

BACKGROUND

Anal cytology may be useful for evaluating lesions associated with human papillomavirus (HPV) in individuals at increased risk for anal cancer.

METHODS

Liquid‐based cytology was used to assess anal cytological lesions among human immunodeficiency virus (HIV)–infected and HIV‐uninfected men who have sex with men (MSM). The Linear Array HPV genotyping test was used for HPV detection.

RESULTS

This cross‐sectional study included 1021 MSM, of whom 388 were HIV‐infected (38.0%). Anal cytological lesions (atypical squamous cells of undetermined significance or more severe [ASCUS+]) were observed in 32.5% and 53.2% of the HIV‐uninfected and HIV‐infected individuals, respectively (P < .0001). The highest ASCUS + prevalence was observed among ≥45‐year‐old HIV‐uninfected MSM (37.3%) and 25‐to 29‐year‐old HIV‐infected MSM (66.7%). High‐grade squamous intraepithelial lesions (HSILs) peaked in ≥ 45‐year‐old HIV‐uninfected subjects and 35‐ to 39‐year‐old HIV‐infected subjects. Individuals with anal infections with high‐risk (HR) HPV types were 3 to 4 times more likely to have an ASCUS + report. An HPV‐16 and/or HPV‐18 infection increased the odds of HSIL or more severe cytology (HSIL+) for HIV‐infected MSM almost 4 times. MSM concurrently infected with HR and low‐risk HPVs were significantly more likely to have low‐grade squamous intraepithelial lesions or more severe cytology (LSIL+) than those infected with only HR types. No significant associations were found between cytological abnormalities and the HIV load and nadir and current CD4 + counts.

CONCLUSIONS

The prevalence of anal cytological lesions is high in MSM, even in HIV‐infected individuals treated with combined antiretroviral therapy. In these subjects, HSILs occur more frequently and at a younger age in comparison with HIV‐uninfected counterparts. Specific diagnostic procedures should be implemented to manage individuals at increased risk for anal cancer with an abnormal anal Papanicolaou test. Cancer Cytopathol 2018. © 2018 American Cancer Society.
Sandboxing of biomedical applications in Linux containers based on system call evaluation
Authors: Witt Michael , Jansen Christoph , Krefting Dagmar , Streit Achim
Published: April 2018

Applications for biomedical data processing often integrate external libraries and frameworks for common algorithmic tasks. It typically reduces development time and increases overall code quality. With the introduction of lightweight container‐based virtualization, the bundling of applications and their required dependencies has become feasible, and containers can be transferred and executed in distributed environments. However, the incorporation of unreviewed code poses a security threat as it might contain malicious components. In this paper, measures to minimize risks of untrusted application execution are presented. Based on the system calls issued during sample execution of the application, both the container itself and the container runtime configuration are restricted to the set of actions the application requires. It is shown that the employed security measures are suited to counteract different attacks while application runtime is not affected.
Hydrogenation of CO2 to Formate over Ruthenium Immobilized on Solid Molecular Phosphines
Authors: Kann Anna , Hartmann Heinrich , Besmehn Astrid , Hausoul Peter J. C. , Palkovits Regina
Published: April 2018

Formic acid is a promising hydrogen storage medium and can be produced by catalytic hydrogenation of CO2. Molecular ruthenium complexes immobilized on phosphine polymers have been found to exhibit excellent productivity and selectivity in the catalytic hydrogenation of CO2 under mild conditions. The polymeric analog of 1,2‐bis(diphenylphosphino)ethane exhibited the highest activity and turnover numbers up to 13 170 were obtained in a single run. This catalyst was already active at 40 °C and with a catalyst loading of only 0.0006 mol %. Recycling experiments revealed a loss of activity after the first run, followed by a gradual decrease during the subsequent runs. This is attributed to a change in the catalytically active complex during the hydrogenation reaction. High selectivity towards formate and low leaching were maintained in the absence of CO formation. Based on the catalyst characterization, a mechanism for the CO2 hydrogenation is proposed.
Weight suppression and weight elevation are associated with eating disorder symptomatology in women age 50 and older: Results of the gender and body image study
Authors: Goodman Erica L. , Baker Jessica H. , Peat Christine M. , Yilmaz Zeynep , Bulik Cynthia M. , Watson Hunna J.
Published: April 2018

Objective

Weight suppression (WS), the difference between highest past non‐pregnancy weight and current weight, predicts negative outcomes in eating disorders, but the impact of WS and related weight constructs are understudied in nonclinical, midlife populations. We examined WS (current weight < highest weight) and weight elevation (WE), the opposite of WS (current weight > lowest weight) and their associations with eating psychopathology in women aged 50+.

Method

Participants were a community‐based sample (N = 1,776, Mage = 59) who completed demographic and eating psychopathology questions via online survey. WS, WE, and WS × WE were tested as predictors of outcome variables; BMI and medical conditions that affect weight were controlled for.

Results

Individuals that were higher on WS and WE were most likely to engage in current weight loss attempts, dieting in the past 5 years, and extreme lifetime restriction. Individuals with higher WS were more likely to experience binge eating, greater frequency of weight checking, overvaluation of shape and weight, and lifetime fasting. Individuals with higher WE were more likely to report negative life impacts of eating and dieting. Higher WS and WE each predicted higher levels of skipping meals over the lifetime.

Discussion

This novel study investigated WS in midlife women and introduced a new conceptualization of weight change (WE) that may be more relevant for aging populations given that women tend to gain weight with age. The findings implicate the utility of investigating both WS and WE as factors associated with eating psychopathology in midlife women.
Mild and Regioselective Synthesis of 3‐CF3‐Pyrazoles by the AgOTf‐Catalysed Reaction of CF3‐Ynones with Hydrazines
Authors: Topchiy Maxim A. , Zharkova Daria A. , Asachenko Andrey F. , Muzalevskiy Vasiliy M. , Chertkov Vyacheslav A. , Nenajdenko Valentine G. , Nechaev Mikhail S.
Published: April 2018

Gold‐ and silver‐catalysed reactions of trifluoromethylated ynones with aryl (alkyl) hydrazines were investigated. The use of (THD‐Dipp)AuOTf and AgOTf resulted in quick heterocyclization reactions to selectively give 3‐CF3‐pyrazoles. AgOTf was found to be the catalyst of choice, and various 3‐CF3‐pyrazoles were formed in up to 99 % isolated yield with high regioselectivity. The reaction has a broad scope: 3‐CF3‐pyrazoles with alkyl and aryl substituents as well as different functional groups can be prepared by this approach. The known pyrazole drugs Celebrex® and SC‐560 were efficiently prepared to demonstrate the utility of the method. Mechanistic investigations revealed that the reaction involves the formation of a hemiaminal as a key intermediate.
Organocatalytic Enantioselective Synthesis of Tetrahydropyridines
Authors: Dudognon Yohan , Rodriguez Jean , Constantieux Thierry , Bugaut Xavier
Published: April 2018

Tetrahydropyridines are important heterocycles present in many molecules of natural and non‐natural origins that exhibit a wide array of biological activities. With several sp3‐hybridized carbon atoms in their structure, they often include one or several stereogenic centers, whose control represents a great synthetic challenge. For the past two decades, enantioselective organocatalysis has developed as a very powerful strategy to perform the synthesis of enantioenriched compounds, including heterocycles. In this Microreview, we wish to provide the readers with a general overview about the organocatalytic strategies that have been used to achieve the preparation of diversified families of tetrahydropyridines, thereby providing elements of reflection for further developments.
Boronic Acid Mediated Carbocyanation of Olefins and Vinylation of Alkyl Iodides
Authors: Hara Reina , Khiar Chahinaz , Dange Nitin S. , Bouillac Pierre , Robert Frédéric , Landais Yannick
Published: April 2018

Phenylboronic acid was shown to mediate the multicomponent free‐radical carbocyanation of olefins and the addition of alkyl iodides to vinylsulfones. The reaction of the boronic acid with di‐tert‐butyl hyponitrite generates an aryl radical, which can selectively abstract an iodine atom from an alkyl iodide to form the key carbon‐centered radical precursor. Arylboronic acids are thus considered efficient tin surrogates in this free‐radical process.