bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ethanol [MAK Value Documentation in German language, 2018]
Authors: Hartwig A. ,   MAK Commission
Published: April 2018

Abstract

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

AbstractThe 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

AbstractPolyaniline (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

AbstractIn 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

AbstractViolence 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

AbstractNovel 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

AbstractIn 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

AbstractA 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

AbstractAn 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

AbstractSeparation 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

AbstractAn 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

AbstractVioprolides 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

ABSTRACTElectrospinning 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

Abstract

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

AbstractThe 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.
Sequence‐Selective Recognition of Peptides in Aqueous Solution: A Supramolecular Approach through Micellar Imprinting
Authors: Zhao Yan 
Published: April 2018

AbstractSequence‐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

AbstractThiazoloisoindigo, 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

AbstractThe 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

AbstractHerein, 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.