bluuebunny/crossref_metadata_2025 huggingface dataset:
Systematic evaluation of petroleum sulfonate: polarity separation and the relationship between its structure and oil recovery properties
Authors: Duan Yawei , Zhu Youyi , Fan Jian , Li Wenjun , Liu Xintong , Li Hongda
Published: October 2018

Petroleum sulfonate actives are efficiently separated and fully characterized, and the relationship between their structure and oil recovery properties is revealed.
Environmental dust removal from inclined hydrophobic glass surface: avalanche influence on dynamics of dust particles
Authors: Yilbas Bekir Sami , Al-Sharafi Abdullah , Ali Haider , Al-Aqeeli Nasser , Al-Qahtani Hussain , Al-Sulaiman Fahad , Abu-Dheir Numan , Abdelmagid Ghassan , Elkhazraji Ali
Published: October 2018

The removal of environmental dust particles from optically transparent glass surfaces is considered, and the dynamics of the dust particles on the inclined hydrophobic glass surface is examined.
A reaction–diffusion kinetic model for the heterogeneous N-deacetylation step in chitin material conversion to chitosan in catalytic alkaline solutions
Authors: Bradić Bojana , Bajec David , Pohar Andrej , Novak Uroš , Likozar Blaž
Published: October 2018

New mechanistic insight into the modelling of the heterogeneous N-deacetylation step of α-chitin, obtained from waste crustacean shells.
First-principles calculations and experimental studies of XYZ2 thermoelectric compounds: detailed analysis of van der Waals interactions
Authors: Pöhls Jan-Hendrik , Luo Zhe , Aydemir Umut , Sun Jon-Paul , Hao Shiqiang , He Jiangang , Hill Ian G. , Hautier Geoffroy , Jain Anubhav , Zeng Xiaoqin , Wolverton Chris , Snyder G. Jeffrey , Zhu Hong , White Mary Anne
Published: October 2018

van der Waals interactions enhanced the prediction of properties in layered thermoelectrics.
Designing high-performance n-type Mg3Sb2-based thermoelectric materials through forming solid solutions and biaxial strain
Authors: Li Juan , Zhang Shuai , Wang Boyi , Liu Shichao , Yue Luo , Lu Guiwu , Zheng Shuqi
Published: October 2018

Thermoelectric performance can be largely enhanced by forming solid solutions and biaxial strain.
Incorporating deep electron traps into perovskite devices: towards high efficiency solar cells and fast photodetectors
Authors: Zhang Dezhong , Liu Chunyu , Li Zhiqi , Zhang Xinyuan , Zhang Xulin , Ruan Shengping , Zhang Xindong , Guo Wenbin
Published: October 2018

A high efficiency of 18.35% in solar cells and a short decay time of 39.8 ns in photodetectors are simultaneously achieved.
Short elastin-like peptide-functionalized gold nanoparticles that are temperature responsive under near-physiological conditions
Authors: Zong Jingyi , Cobb Steven L. , Cameron Neil R.
Published: October 2018

The modified tropoelastin pentapeptide HS-VPGVG-NH2when conjugated to gold nanoparticles renders them temperature-responsive at pH 7.4 and 40 °C.
Nanostructure and device architecture engineering for high-performance quantum-dot light-emitting diodes
Authors: Chen Fei , Guan Zhongyuan , Tang Aiwei
Published: October 2018

A review of recent advances in the improvement of quatum-dot light-emitting diodes through the nanostructure engineering of quantum dots and device architecture optimization.
Neurotoxicity, behavioral changes and gene-expression profile of mice exposed to SnS2 nanoflowers
Authors: Bai Disi , Li Qingzhao , Wang Jianhui , Zhao Junjian , Deng Xuenan , Yuan Lu , Wu Ping
Published: October 2018

Recently, interest in the potential applications of tin disulphide nanoflowers (SnS2 NFs) in the treatment of waste water and their antibacterial properties has increased.
The Chinese medicine Chai Hu Li Zhong Tang protects against non-alcoholic fatty liver disease by activating AMPKα
Authors: Zhang Meng , Yuan Yuan , Wang Qing , Li Xiaobo , Men Jiuzhang , Lin Mingxin
Published: October 2018

An effective treatment for non-alcoholic fatty liver disease (NAFLD) is urgently needed. In the present study, we investigated whether the Chinese medicine Chai Hu Li Zhong Tang (CHLZT) could protect against the development of NAFLD. Rats in an animal model of NAFLD were treated with CHLZT, and their serum levels of cholesterol (TC), triglycerides (TG), high density lipoprotein-cholesterol (HDL-C), low density lipoprotein-cholesterol (LDL-C), aspartate aminotransferase (AST), and alanine aminotransferase (ALT) were detected with an automatic biochemical analyzer. A cellular model of NAFLD was also established by culturing HepG2 cells in a medium that contained a long chain fat emulsion. Those cells were treated with CHLZT that contained serum from rats. After treatment, the levels of adenylate-activated protein kinase (AMPK) α (AMPKα), p-AMPKα, acetyl coenzyme A carboxylase (ACC) α (ACCα), pACCα, PPARγ, and SREBP-2 were detected. The AMPK agonist, acadesine (AICAR), was used as a positive control compound. Our results showed that CHLZT or AICAR significantly decreased the serum levels of TG, TC, LDL-C, AST, ALT, and insulin in NAFLD rats, and significantly increased their serum HDL-C levels. Treatments with CHLZT or AICAR significantly decreased the numbers of lipid droplets in NAFLD liver tissues and HepG2 cells. CHLZT and AICAR increased the levels of p-AMPKα and PPARγ in the NAFLD liver tissues and HepG2 cells, but decreased the levels of ACC-α, p-ACC-α, SREBP-2, and 3-hydroxyl-3-methylglutaryl-coenzyme A reductase (HMGR). CHLZT protects against NAFLD by activating AMPKα, and also by inhibiting ACC activity, down-regulating SREBP2 and HMGR, and up-regulating PPAR-γ. Our results suggest that CHLZT might be useful for treating NAFLD in the clinic.
Service Provision for Children Who Are Hard of Hearing at Preschool and Elementary School Ages
Authors: Page Thomas A. , Harrison Melody , Moeller Mary Pat , Oleson Jacob , Arenas Richard M. , Spratford Meredith
Published: October 2018

Purpose

To characterize preschool and school services for children who are hard of hearing (CHH), we described service setting, amount, and configuration and analyzed the relationship between service receipt and student hearing levels and language scores. Characteristics of professionals providing services were described and then used to predict level of comfort with skills supporting listening and spoken language. The amount of provider communication with children's audiologists was also investigated.

Method

Participants included parents of CHH (preschool
n
= 174; school
n
= 155) and professionals (preschool
n
= 133; school
n
= 104) who completed interviews and questionnaires as part of a longitudinal study. Children's hearing, speech, and language data were collected from annual testing and analyzed in relation to service data.

Results

A majority (81%) of preschool-age CHH received services. Children were more likely to be in a preschool for children who are deaf or hard of hearing (CDHH) or exceptional children than a general education preschool. By elementary school, 70% received services, nearly all in general education settings. Sessions averaged twice a week for a total of approximately 90 min. Children who no longer received services performed significantly better on speech/language measures than those who received services, regardless of service setting. Professionals were primarily speech-language pathologists (SLPs) and teachers of CDHH. SLPs reported significantly less comfort with skills involving auditory development and hearing technologies and less frequent communication with the child's audiologists than teachers of CDHH. Overall communication with audiologists was more frequent in the preschool years.

Conclusions

As preschool-age CHH transition into school, the majority continue to qualify for services. Congruent with national trends, school-age CHH in the Outcomes of Children with Hearing Loss study were most often in general education settings. Without specialized preprofessional or postgraduate training, SLPs and teachers of CDHH did not report comfort with all the skills critical to developing listening and spoken language. This finding supports the need for increased implementation of interprofessional practice among SLPs and teachers of CDHH, as well as audiologists, to best meet the needs unique to this population.
Exploring lane change safety issues for manually driven vehicles in vehicle platooning environments
Authors: Lee Seolyoung , Oh Cheol , Hong Sungmin
Published: October 2018

Vehicle platooning, a beneficial feature of automated driving environments, is likely to affect the lane change behaviour of manually driven vehicles (MVs) because identifying proper gaps in vehicle platoons in the target lane will be more difficult than in the current non‐platooning environment. These interactions between MVs and automated vehicles (AVs) could lead to a higher potential for unstable traffic flow, which is closely associated with traffic safety issues. The objective of this study was to investigate the lane change characteristics of MVs in AV platooning environments using driving simulator experiments. This research found that MV drivers tend to show more radical driving behaviour, as indicated by greater steering magnitude and steering velocity when they change lanes into the platooning vehicles’ lane. Therefore, novel traffic operations strategies to manage MVs and AVs effectively are required to ensure traffic safety, which will be conducted by a future study.
Through‐line method for transmission/reflection estimation of N‐way multiport power‐combining network
Authors: Uchida Hiromitsu , Nakashima Masao , Handa Seiichi , Sagara Takehiko , Hariu Ken‐ichi
Published: October 2018

A transmission/reflection estimation method based on ‘through‐line’ measurements is proposed for N‐way tree‐shaped power‐combining network, mainly used as an output impedance‐matching network of a multi‐transistor‐cell power amplifier (PA). The method can be applied when all the N branches can be seen identical to each other and are excited uniformly in‐phase, and especially useful when the input impedance of the network has a non‐resistive (reactance) component. In the proposed method, a pair of the N‐way networks is connected directly in a back‐to‐back manner (‘through’ configuration) and with transmission lines in‐between (‘line’ configuration), and their S‐parameters are measured. The transmission/reflection coefficients of single N‐way network can be estimated from the measured ‘through’ and ‘line’ S‐parameters, where in the latter the electromagnetic coupling between the transmission lines should be dealt with carefully to avoid estimation error.
Research on a chip scale atomic clock driven GNSS/SINS deeply coupled navigation system for augmented performance
Authors: Jiang Changhui , Chen Shuai , Chen Yuwei , Bo Yuming
Published: October 2018

Chip scale atomic clock (CSAC) is a recently developed low‐profile atomic frequency reference device. Researchers have demonstrated CSAC was able to improve the accuracy of Global navigation satellite system (GNSS) receiver positioning results. However, the work was conducted using scalar tracking loops (STL). It is meaningful to investigate CSAC augmented vector tracking loop (VTL), since the VTL has different architecture with STL. Thus, in this paper, the authors investigated a CSAC driven VTL_DI system for exploring CASC impact on VTL. Firstly, the authors explored 1) whether VTL_DI could operate without regarding clock offset and drifts as VTL_DI integration filter state variables, and 2) whether VTL_DI could provide reliable position with only three satellites in view. Secondly, side‐by‐side comparative field tests were conducted to evaluate performance improvement: by solution A: VTL_DI supported by CSAC and solution B: a temperature compensated crystal oscillator (TXCO) with more than four satellites and three satellites in view scenarios. It was discovered that the CSAC could enhance the position performance, even if amount of satellites were fewer than four in view. However, VTL_DI system could not guarantee its positioning accuracy without clock offset as state variable, which was different from STL_DI system.
Measurements of rate constants of O2(b) quenching by CH4, NO, N2O at temperatures 300-800 K
Authors: Tolstov G.I. , Zagidullin M.V. , Khvatov N.A. , Medvedkov I.A. , Mebel A.M. , Heaven M.C. , Azyazov V.N.
Published: October 2018

Electronically excited oxygen has an important place in the kinetic schemes of the processes taking place in the atmosphere, in the active medium of an oxygen-iodine laser, and in plasma-assisted combustion1. Over the past decades, a large amount of data on the rate constants of quenching O2(b) on a large number of collision partners has been accumulated. However, they mostly refer to the results of measurements at room temperature. In this paper, rate constants for the quenching of O2(b) by collisions with N2O, NO, and CH4have been determined in the temperature range from 297 to 800 K, by the laser-induced fluorescence method. O2(b) was excited by pulses from a tunable dye laser, and the deactivation kinetics were followed via observing the temporal behavior of the b1Σg+→ X3Σg-fluorescence. From the analysis of experimental results, the following temperature dependencies of the quenching rate constants by these gases were obtained, and could be represented by the expressions: kNO=(1.77±0.2)×10-24×T3.5exp(1138±37/T); kN2O=(2.63±0.14)×10-16×T1.5×exp(590±26/T) and kCH4=(3.54±0.4)×10-18×T1.5×exp(-220±24/T) cm3s-1. All of the rate constants measured at room temperature were found to be in good agreement with previously reported values.
Quantum chemical study of the mechanism of oxidation of C15H9 by atomic oxygen
Authors: Galimova Galiya , Azyazov Valeriy , Mebel Alexander
Published: October 2018

An important environmental problem related to the use of fossil fuels is the formation of soot during combustion. Mechanisms of soot oxidation, which alleviates its emission into the environment, are not fully understood. The reaction of O with a radical C15H9 may play an important role in combustion. In this article, the C15H9 molecule was chosen as a model of soot surface. The paper discusses various pathways resulting from the C15H9 + O reaction. Relative energies, frequencies and optimal geometries of the reactants, products, intermediates and transition states of the C15H9 + O reaction have been calculated using the quantum-chemical Gaussian and Molpro program packages. The reaction pathways leading to carbon monoxide CO elimination have been found and dscussed.
Environmental advantages of composite fuels based on industrial wastes and different ranks of coal
Authors: Nyashina Galina
Published: October 2018

Thermal power plants and boiler units generate most of the anthropogenic emissions around the world. A promising solution to many problems that heat and power industry is facing today would be switching from conventional coal dust combustion to composite liquid fuels (CLF). These are also known as coal-water slurries containing petrochemicals (CWSP). Here, we perform an experimental study of the most hazardous anthropogenic emissions (sulfur and nitrogen oxides) from the combustion of high-potential CWSP. We identify the main benefits and potential drawbacks of using CWSP in heat and power industry. A set of components and additives to CWSP are explored that significantly affect the environmental and energy performance of fuels. The anthropogenic emissions from the combustion of CWSP made of widespread coal and oil processing wastes are no higher than those from coal dust combustion. Using specialized additives to CWSP, we can change the concentrations of NOx and SOx several times. The most appealing additives to CWSP are sawdust, straw, charcoal, limestone, and glycerol.
The advisability of using combustion chambers with a toroidal recirculation-mixing zone in small-sized gas turbine engines
Authors: Yurievich Orlov Michael , Vladimirovich Kolomzarov Oleg , Mikhailovich Anisimov Vladislav , Igorevich Gurakov Nikita , Sergeevich Mironov Nikolai
Published: October 2018

The interrelations between the size of the gas turbine engine (GTE) and the size and workflow of the combustion chamber (CC) were considered. On the base of analysis of workflow organization the design of CC with toroidal recirculation mixing zone was proposed. The theoretical justification of chosen design was carried out on the base of comparison of combustion volumes, which formed in traditional CC with swirlers and in proposed CC. The comparison of combustion volumes, schematic display of combustion zones with a discrete flame and a combined combustion zone were given.
Distributed data mining systems: techniques, approaches and algorithms
Authors: Ali Ammar Alhaj , Varacha Pavel , Krayem Said , Zacek Petr , Urbanek Andrzej
Published: October 2018

Nowadays, we are living in the midst of a data explosion and seeing a massive growth in databases so with the wide availability of huge amounts of data; necessarily we are become in need for turning this data into useful information and knowledge, where Data mining uncovers interesting patterns and relationships hidden in a large volume of raw data and big data is a new term used to identify the datasets that are of large size and have grater complexity. The knowledge gained from data can be used for applications such as market analysis, customer retention and production control. Data mining is a massive computing task that deals with huge amount of stored data in a centralized or distributed system to extract useful information or knowledge. In this paper, we will discuss Distributed Data Mining systems, approaches, Techniques and algorithms to deal with distributed data to discover knowledge from distributed data in an effective and efficient way.
The possibilities of using drones in the 3D object modelling field
Authors: Adamek Milan , Mach Vaclav , Neumann Petr
Published: October 2018

This article is focused on the 3D Modelling of Objects from recordings taken by drones. The principles of multi-propeller devices and individual commercially-available parts for the construction of drones. A separate part is devoted to the Photogrammetry technique for the 3D modelling of objects from images taken by drones. It maps the currently available software for this method, and presents tools available online, as well as PC tools and mobile applications. The practical part describes the construction and assembly of one’s own multi-propeller machine and its subsequent use for collecting imagery material for the modelling of selected objects. The modelling process – with the support of selected software, is also described. The result is evaluated from the perspective of its possible use in Safety/Security Technologies.
Wearable sensor-based data analysis for neurological disease symptoms evaluation utilising quantitative approach.
Authors: Chmielewski Mariusz , Nowotarski Michał
Published: October 2018

The paper describes implementation of an analytical method and conclusions of novel approach to clinical trials monitoring and evaluation. Based on clinical trials observations a set of requirements for validating symptoms of neurological diseases have been formulated, concentrating on the ones which can be registered using wearable sensors. The constructed tool utilizes conventional surveying methods supplemented with biomedical sensor for neurological symptoms recognition and intensity evaluation. Developed mobile system is aimed at clinical trials assistance utilising sensor-based state evaluation. Such quantitative approach is a supplement for patient’s subjective evaluation of health state. This work is a discussion on pros and cons of such process composition and its supplementation with technology. Existing methodology relies on health state evaluation based on iteratively answered questionnaires, which in our understanding cannot be fully controlled and reliable. Utilisation of actigraphy and electromyography provides efficient means of some gestures recognition but most of all PD tremor identification and evaluation of their intensity, therefore can be used for ON/OFF state and dyskinesia identification and evaluation. In order to recognise specific states for PD patients (tremors, bradykinesias, rigidity, mental slowness, etc.) a set of additional techniques have been designed and implemented.
The benefit attributes of the Indonesian National Standard (SNI) product
Authors: Rosiawan Muhammad , Laksono Singgih Moses , Widodo Erwin
Published: October 2018

This research aims to measure the benefit of the Indonesian National Standard (SNI) product not only came from the company perceptions but also came from the government, academician, and consumer perceptions in Surabaya. The empirical study result showed that all of the respondents had a positive perception on the SNI product. They stated agreement that the SNI product had benefit on the attributes: quality guarantee of product, safe to use, a fair prices, quality of raw materials, and efficiency. Those attributes support the enhancement of company’s competitiveness. However, most of the respondents of companies and consumers state did not know about the quality guarantee of the SNI product. The results were contradictory, the respondents who came from the companies knew more about quality guarantee of the SNI product compared to the other respondents. Furthermore, the respondents of academicians, consumers, and particularly companies state that they did not know about the easiness of the SNI certification process and the government provide an incentive for the registration fee of the SNI certification. This ignorance will impact on the perceptions that process of the SNI certification was complicated and costly. Besides, it showed that the government was less to conduct socialization for the certification program compared to socialization for the standard program.
Effect of butanol on fuel consumption and smoke emission of direct injection diesel engine fueled by jatropha oil and diesel fuel blends with cold EGR system
Authors: Syarifudin  , Syaiful  , Yohana Eflita
Published: October 2018

Diesel engines are widely used in industry, automotive, power generation due to better reliability and higher efficiency. However, diesel engines produce high smoke emissions. The main problem of diesel engine is actually the use of fossil fuels as a source of energy whose availability is diminishing. Therefore alternative fuels for diesel fuels such as jatropha and butanol are needed to reduce dependence on fossil fuels. In this study, the effect of butanol usage on fuel consumption and smoke emissions of direct injection diesel engine fueled by jatropha oil and diesel fuel with cold EGR system was investigated. The percentage of butanol was in the range of 5 to 15%, jatropha oil was in the range of 10 to 30% and the balance was diesel fuel. Cold EGR was varied through valve openings from 0 to 100% with 25% intervals. The experimental data shows that the BSFC value increases with increasing percentage of butanol. In addition, the use of EGR results in a higher increase of BSFC than that without EGR. While the addition of butanol into a blend of jatropha oil and diesel fuel causes a decrease in smoke emissions. The results also informed that the use of EGR in the same fuel blend led to increased smoke emissions.
Working posture analysis of sweet whey powder handling at CV Cita Nasional warehouse using OVAKO Working Posture Analysis (OWAS)
Authors: Mahachandra Manik , Prastawa Heru , Susilo Dhialma Yonathan
Published: October 2018

In this 4.0 industrial era, some material handlings are still conducted manually by human. One example is in the warehouse area of CV Cita Nasional, a milk processing factory in Kopeng, Central Java. Workers are repetitively unloading a 25 kg sack of sweet whey powder from truck to warehouse area. Therefore, this study was carried out to investigate the musculoskeletal disorders risks on that workers manual handling activity. The OVAKO Working Posture Analysis System (OWAS) was chosen to be applied in the evaluation steps. For each activity in the unloading process, OWAS score category of 3 (improvements are necessary as soon as possible) were resulted on lifting, 2 (improvements are necessary in the long-term future) on carrying, and 3 on lowering the load. Consequently, a trolley was then designed to minimize the risks. The trolley was designed based on Indonesian anthropometry dimensions. Applying this proposed tool, lifting and lowering activities were then categorized in OWAS score of 2, whilst carrying was resulted in OWAS score of 1 (improvements are not necessary). This applied study was valuable in order to minimize the musculoskeletal disorders risks on such manual material handling activity, not only in the current workplace, but also in similar situation of industries.
Sexuelle Identität, der Konsum von Alkohol und anderen Drogen, gesundheitliche Probleme und Behandlungsansätze: Ein unsystematischer Forschungsüberblick
Authors: Vogt Irmgard
Published: October 2018

Hintergrund Die Zahlen von Menschen, die ihre sexuelle Identität nicht als heterosexuell sondern als schwul, lesbisch, bisexuell oder in einer anderen Kategorie definieren, steigen seit Jahren leicht an; man schätzt, dass in westlichen Ländern ca. 5% der Bevölkerung zu den sexuellen Minderheiten zu rechnen sind. Diese Studie ist darauf angelegt, die psychischen Problemlagen der sexuellen Minoritäten anhand US-amerikanischer Bevölkerungsstudien sowie weiterer wichtiger Studien aus anderen Ländern genauer darzustellen.

Ergebnisse Zusammenfassend ergibt sich Folgendes: Unabhängig vom Geschlecht liegt der Konsum von Alkohol und anderen Drogen sowie die Abhängigkeit von diesen Stoffen mindestens auf dem Niveau der heterosexuellen Männer. Lesbisch/schwule und bisexuelle Frauen sind noch etwas stärker durch den Konsum von psychoaktiven Substanzen belastet als schwule und bisexuelle Männer. Untersucht man Belastungen durch Depressionen und Suizidversuche, findet man wiederum bei den sexuellen Minoritäten höhere Belastungen. LSB-Frauen haben die höchsten Raten hinsichtlich Depressionen und Ängsten. Darüber hinaus weisen die Daten darauf hin, dass bisexuelle Männer und Frauen hohe psychische Belastungen haben. Alles in allem genommen ist davon auszugehen, dass die sexuellen Minoritäten einen relativ hohen Bedarf an Behandlungen ihrer psychischen Störungen haben. Dennoch gibt es bislang nur sehr wenige Behandlungsprogramme mit der Zielgruppe: sexuelle Minoritäten.

Schlussfolgerungen Wir benötigen dringend deutsche Studien zu sexuellen Minoritäten allgemein und besonders zu trans*  Personen mit ihren sehr spezifischen Problemlagen. Die Studien sollten neben den Substanzkonsumstörungen der sexuellen Minoritäten auch andere psychische Störungen erfassen. Kenntnisse über die psychische Befindlichkeit sexueller Minoritäten sind die Grundlage für optimale Behandlungsgestaltungen.
Zwitterionic Polysaccharides of Shigella sonnei: Synthetic Study toward a Ready-for-Oligomerization Building Block Made of Two Rare Amino Sugars
Authors: Mulard Laurence , Pfister Hélène , Paoletti Julie , Poveda Ana , Jimenez-Barbero Jesus
Published: October 2018

Shigellosis is an endemic diarrheal disease caused by Gram negative bacteria named Shigella. The most exposed polysaccharides of Shigella sonnei display a zwitterionic disaccharide repeating unit (AB) made of two rare amino sugars: [4)-α-l-AltpNAcA-(1→3)-β-d-FucpNAc4N-(1→]. An original synthesis of a ready-for-oligomerization AB disaccharide is reported. The targeted orthogonally protected disaccharide was synthesized from l-glucose and tetra-O-acetyl-β-d-glucosamine. The challenging introduction of the 4B-azido group masking the amino moiety of the AAT residue was performed at the disaccharide stage by a two-step procedure (triflation followed by nucleo­philic displacement with NaN3). A post-glycosylation oxidation strategy was employed to access the altruronate moiety.
Palladium-Catalyzed Molybdenum Hexacarbonyl-Mediated Gas-Free Carbonylative Reactions
Authors: Odell Luke , Larhed Mats , Åkerbladh Linda
Published: October 2018

This account summarizes Pd(0)-catalyzed Mo(CO)6-mediated gas-free carbonylative reactions published in the period October 2011 to May 2018. Presented reactions include inter- and intramolecular carbonylations, carbonylative cross-couplings, and carbonylative multicomponent reactions using Mo(CO)6 as a solid source of CO. The presented methodologies were developed mainly for small-scale applications, avoiding the problematic use of gaseous CO in a standard laboratory. In most cases, the reported Mo(CO)6-mediated carbonylations were conducted in sealed vials or by using two-chamber solutions.

1 Introduction

2 Recent Developments

2.1 New CO Sources

2.2 Two-Chamber System for ex Situ CO Generation

2.3 Multicomponent Carbonylations

3 Carbonylations with N and O Nucleophiles

4 Carbonylative Cross-Coupling Reactions with Organometallics

5 Carbonylative Cascade Reactions

6 Carbonylative Cascade, Multistep Reactions

7 Summary and Outlook
Development of New Electrophiles in Palladium/Norbornene-Catalyzed ortho-Functionalization of Aryl Halides
Authors: Gu Zhenhua , Zhao Kun , Ding Linlin
Published: October 2018

This account focuses on our work in palladium/norbornene-catalyzed selective ortho-arylation and ortho-acylation of aryl halides. It will discuss our synthetic plan, initial design and revised strategy in the enantioselective synthesis of the rhazinal family of natural products. It also shows our efforts on the α-acylation reaction by the cleavage of various C(O)–X bonds, along with some mechanistic studies.

1 Introduction

2 Synthesis of the Rhazinal Family of Natural Products

2.1 Initial Design

2.2 Revised Strategy

2.3 Enantioselective Synthesis of the Rhazinal Family of Natural Products

3 Catalytic ortho-Acylation

3.1 Acid Chloride and Anhydride Strategy

3.2 Cleavage of C(O)–S Bond of Thioesters by Pd, Norbornene and Copper Cocatalysis

4 Decarboxylative Alkynylation

5 Conclusion
An Evaluation of the Stress Pattern Distribution for Orthodontic Tooth Movements – A Finite Element Study
Authors: Gupta Sameer , Gupta Garima , Sharma Manisha , Sharma Pooja , Goyal Sachin , kumar Pradeep
Published: October 2018

Objectives: This study was conducted to evaluate stress pattern distribution in the periodontal ligament during various orthodontic tooth movements. Methods: A 3 dimensional FEM model of upper central incisor was developed from C.T scan images of the skull excluding the mandible. The principal stress obtained on the periodontal ligament due to various orthodontic loadings (tipping, bodily movement, intrusion, extrusion and rotations) were tested. Results: Intrusion, extrusion and rotation produced stresses concentrated at apex of root. Bodily movement and tipping forces produce stress concentrated at the alveolar crest and not at the root apex. Conclusion: Clinical implications of this study suggests that if the clinician is concerned about placing heavy stresses on the root apex then vertical and rotational forces must be applied with caution.
Effect of Reinforcement on the Fracture Resistance of Endodontically Treated Molars by Various Bonded Restorations-An In Vitro Study
Authors: Dhillon Jaidev , Passi Sachin , Chhabra Ajay ,   Ramandeep,   Raghav
Published: October 2018

Objective: To compare and evaluate the fracture resistance of endodontically treated molars reinforced with various bonded restorations and to study the type of fractures in various restorations. Methods: Forty extracted mandibular molars were endodontically treated. MOD (Mesio-Occluso-Distal) cavities were prepared and Mesio-Buccal cusp was reduced in all to provide cuspal coverage. All the teeth were then divided into 4 groups. The cavities in group 1(control) were filled with high copper amalgam. Group 2 was restored with direct resin composite. In group 3 after the priming and bonding procedures as in group 2, cavity surfaces were coated with flowable resin composite. Before curing a piece of polyethylene ribbon fiber was cut and coated with adhesive resin and was embedded inside the flowable composite. The resin composite was cured with visible light cure (VLC) gun. For group 4, restorations were done according to the recommendations provided by the manufacturers of SR Adoro (Ivoclar-Vivadent, Schaan, Liechtenstein) composite material. Compressive fracture strength test was performed after at least 24 hours of the fabrication of the specimens, by application of compressive loading in a Universal testing machine, applied on the occlusal aspect of each specimen with a steel bar. The mean loads necessary to fracture were recorded in Newton and the results were statistically analyzed. Results: Group 4 (indirect composite inlay) had the greater fracture resistance and group 1(Amalgam) had the poorest. Difference between group 1 and 3, group 1 and 4, group 2 and 4 were statistically significant. No statistically significant difference was found between group 1 and 2, group 2 and 3, group 3 and 4. Predominant type of fracture in group 1 and 3 was fracture of tooth below cemento enamel junction at tooth restoration interface without mesio buccal cusp involvement. In group 2 and 4, predominant fractures were of tooth below cemento enamel junction through center of restoration without mesio–buccal cusp involvement.
Oral Health Status Among Athletes in Jaipur, Rajasthan - A Descriptive Study
Authors: S. Naganandini , Mahuli Amit , Yadav Roma , Manchanda Kavita , Jangid Poonam ,   Himani
Published: October 2018

Introduction: Oral health is important both for the well-being and successful elite sporting performance. Athletes are at a greater risk of having dental caries, dental erosion and traumatic dental injuries. So this study was taken up to focus on this issue. Objectives: i) To assess the prevalence and severity of dental erosion, dental trauma, oral mucosal lesions, dental caries and periodontal status among athletes, using WHO oral health assessment form 2013. ii) To plan appropriate oral diseases prevention and oral health promotion strategy for athletes. Materials and methods: A cross-sectional study was carried out among athletes in SMS STADIUM Jaipur. Clinical examination of the athletes was carried out with the help of WHO proforma 2013. Results: A total of 300 athletes were included with 217(72.3%) males and 83(27.66%) females in the age group of 10-35 years with a mean age of 22±5.04 years. Of the participants, 55.3% participants reported the use of energy drinks. 50% reported using chewing gums (sweetened) and 20.6% reported the use of mouth guard during their activities. Around 70% of the athletes were having DMFT, out of them 68.66% had decayed teeth and only 12.66% had filled teeth. 9.3% of the athletes had enamel erosion. 8.33% & 8.66% of athletes were having treated injury and enamel fracture, respectively. Conclusion: Athletes are more prone to dental caries because of less care towards oral hygiene and extensive use of sweetened chewing gums and energy drinks.
Neuron dynamics variability and anomalous phase synchronization of neural networks
Authors: Boaretto B. R. R. , Budzinski R. C. , Prado T. L. , Kurths Jürgen , Lopes S. R.
Published: October 2018

Anomalous phase synchronization describes a synchronization phenomenon occurring even for the weakly coupled network and characterized by a non-monotonous dependence of the synchronization strength on the coupling strength. Its existence may support a theoretical framework to some neurological diseases, such as Parkinson’s and some episodes of seizure behavior generated by epilepsy. Despite the success of controlling or suppressing the anomalous phase synchronization in neural networks applying external perturbations or inducing ambient changes, the origin of the anomalous phase synchronization as well as the mechanisms behind the suppression is not completely known. Here, we consider networks composed of N=2000 coupled neurons in a small-world topology for two well known neuron models, namely, the Hodgkin-Huxley-like and the Hindmarsh-Rose models, both displaying the anomalous phase synchronization regime. We show that the anomalous phase synchronization may be related to the individual behavior of the coupled neurons; particularly, we identify a strong correlation between the behavior of the inter-bursting-intervals of the neurons, what we call neuron variability, to the ability of the network to depict anomalous phase synchronization. We corroborate the ideas showing that external perturbations or ambient parameter changes that eliminate anomalous phase synchronization and at the same time promote small changes in the individual dynamics of the neurons, such that an increasing individual variability of neurons implies a decrease of anomalous phase synchronization. Finally, we demonstrate that this effect can be quantified using a well known recurrence quantifier, the “determinism.” Moreover, the results obtained by the determinism are based on only the mean field potential of the network, turning these measures more suitable to be used in experimental situations.
Overlapping of the harmonics of the cyclotron frequency in the Bernstein waves due to relativistic effects
Authors: Khan Waseem , Ali Muddasir , Iqbal Zafar , Abbas Gohar , Ehsan Zahida
Published: October 2018

By using the generalized expression for the plasma conductivity tensor, the general dispersion relation for the Bernstein waves is derived. To investigate the Bernstein waves for a weakly relativistic plasma, the Maxwell-Boltzmann-Juttner distribution function is employed. The propagation characteristics of the electron Bernstein waves (overlapping, propagation regions, and harmonic structures) are examined by using different values of η (ratio of rest mass energy to thermal energy) and ωpeωce (ratio of the plasma frequency to the cyclotron frequency). It is observed that the relativistic effects are the main cause of the harmonic overlapping which reduces the region of propagation.
Solvent-mediated interactions between nanostructures: From water to Lennard-Jones liquid
Authors: Lam Julien , Lutsko James F.
Published: October 2018

Solvent-mediated interactions emerge from complex mechanisms that depend on the solute structure, its wetting properties, and the nature of the liquid. While numerous studies have focused on the first two influences, here, we compare the results from water and Lennard-Jones liquid in order to reveal to what extent solvent-mediated interactions are universal with respect to the nature of the liquid. Besides the influence of the liquid, the results were obtained with classical density functional theory and brute-force molecular dynamics simulations which allow us to contrast these two numerical techniques.
Zeeman splitting measurements of magnetic fields in iodine plasma
Authors: Steinberger Thomas E. , Dufor Mikal T. , Thompson Derek S. , Scime Earl E.
Published: October 2018

Iodine is an attractive propellant for next generation ion thrusters. Laser induced fluorescence (LIF) is widely used with other propellant species as a non-perturbative technique for measuring flow for thruster prediction models. We apply LIF methods recently demonstrated for singly-ionized iodine to a magnetized plasma environment similar to those found in ion thrusters and in magnetically confined laboratory plasmas. We demonstrate the feasibility of remotely determining the local magnetic field from the Zeeman effect-split spectrum of I+.
Experimental characterization of multilayer active magnetic regenerators using first order materials: Multiple points of equilibrium
Authors: Govindappa P. , Trevizoli P. V. , Niknia I. , Christiaanse T. V. , Teyber R. , Rowe A.
Published: October 2018

Multiplepoints of equilibrium (MPE) have recently been observed in single layer active magnetic regenerators (AMRs) using first order magnetic materials (FOMs). Here, we describe experiments using three multilayer MnFeP1-xAsx FOM regenerator beds characterized under a range of applied loads and rejection temperatures. Thermal performance and the impacts of MPE are evaluated via heating and cooling experiments where the rejection (hot side) temperature is varied in a range from 283 K to 300 K. With fixed operating conditions, we find multiple points of equilibrium for steady-state spans as a function of warm rejection temperature. The results indicate a significant impact of MPE on the heating and cooling temperature span for a multilayer MnFeP1-xAsx FOM regenerator. Unlike single material FOM tests where MPEs tend to disappear as load is increased (or span reduced), with the layered AMRs, MPEs can be significant even with small temperature span conditions.
Octahedral spherical Hohlraum for Rev. 6 NIF beryllium capsule
Authors: Ren Guoli , Lan Ke , Chen Yao-Hua , Li Yongsheng , Zhai Chuanlei , Liu Jie
Published: October 2018

We have designed an octahedral spherical hohlraum with 6 laser entrance holes (LEHs) for the Rev. 6 Be ignition capsule [Simakov et al., Phys. Plasmas 21, 022701 (2014)]. With a Au spherical hohlraum of 4400 μm in radius and six LEHs of 1200 μm in radius, a laser pulse of 2.15 MJ energy and 630 TW peak power is required to deliver the radiation drive designed for the Rev. 6 Be ignition capsule. Both our 1D and 2D simulations have shown that the expansion of the Be capsule is very close to or even slightly slower than that of the CH capsule under the same radiation drive inside the spherical hohlraum, in spite of the higher ablation rate of Be. The reason why the Be and CH capsules have similar expansions is due to their similar exhaust velocities, and the reason why CH has a slightly faster expansion is that the CH capsule has a higher opacity which causes the hotter ablated plasmas and then a faster expansion of the CH ablated plasmas. The large volume of the octahedral spherical hohlraum, together with the incident angle of 55° in its laser arrangement, leaves enough room for the laser transportation, thus avoiding the laser being absorbed by Be ablated plasmas and, consequently, avoiding the high risk of laser plasma instabilities. It means that the higher mass ablation rate of Be does not affect the hohlraum energetics and the naturally high symmetry of radiation inside an octahedral spherical hohlraum. Thus, the superior ablation properties of the Be capsule can be fully exploited and hence have a higher opportunity to achieve ignition inside the octahedral spherical hohlraum.
Telegraphic switching signals by magnet tunnel junctions for neural spiking signals with high information capacity
Authors: Zink Brandon R. , Lv Yang , Wang Jian-Ping
Published: October 2018

Magnetic tunnel junctions (MTJs) operating in the superparamagnetic regime produce telegraphic signals that emulate neural spiking signals. Previous studies have characterized the random spiking signals produced by MTJs in terms of the percentage of time spent in the anti-parallel (AP) magnetization state (referred to as the “AP rate”) but ignore the switching rate of the MTJ. In this work, we demonstrate that with proper tuning of both an external bias field and a bias voltage, we can control the average dwell time in the AP-state and P-state pulses separately. Our data show that the AP rate can be tuned with bias voltages ranging from 310 mV to 460 mV and bias fields from −200 Oe to −230 Oe. The average dwell times in each state ranged from 225 ns to 285 μs and could be controlled separately. This suggests that neural spiking signals produced by MTJs can be decoded by both the spike rate and the spike count, which creates the possibility for increasing the information capacity in the rate coding scheme.
Temperature dependent photoluminescence of anatase and rutile TiO2 single crystals: Polaron and self-trapped exciton formation
Authors: Gallart Mathieu , Cottineau Thomas , Hönerlage Bernd , Keller Valérie , Keller Nicolas , Gilliot Pierre
Published: October 2018

We propose an analysis of the emission properties of anatase and rutile titanium dioxide (TiO2) that emphasizes the role of the strong electron-phonon interaction. We performed measurements of photoluminescence (PL) spectra of bulk monocrystals under continuous wave-laser excitation and of their temperature dependence. We show that in both anatase and rutile, weakly bound self-trapped excitons are actually made out from carrier polarons and give rise to a broad emission band in the visible spectral range. The thermal activation of carrier motion allows their hopping to distant sites that leads to the observed quenching of luminescence. In the specific case of rutile TiO2, the PL spectral shape and its intensity-quenching scenario reveal the presence of dark trap states. Moreover, an additional narrow line structure shows up at low temperatures. The latter is due to localized impurity states that can be attributed to oxygen vacancies and can be fitted with a large Huang-Rhys parameter S = 2.5 within a Franck-Condon model. Both phases show thus a very strong interaction between the photogenerated carriers and the lattice.
Modulation of proton beams by relativistic electron beam-plasma instability
Authors: Wang Xiao-Juan , Hu Zhang-Hu , Zhao Yong-Tao , Wang You-Nian
Published: October 2018

Two-dimensional electromagnetic particle-in-cell simulations are performed to investigate the transport of relativistic electron beams co-moved with a proton beam in background plasmas. For the beam with the radius much larger than the plasma skin depth, the current filamentation instability excited by the relativistic electron beam can be clearly observed and the transverse magnetic fields in the plasma increase significantly. The proton beam is modulated strongly by the electromagnetic fields in plasmas, and a netlike structure in the beam profile is formed with a high density contrast, which can be provided as an effective tool to diagnose the instability. The dynamic effects of plasma ions are shown to be important and play a significant role in the dynamic evolution of the proton beam.
π
-π stacking vs. C–H/π interaction: Excimer formation and charge resonance stabilization in van der Waals clusters of 9,9′-dimethylfluorene
Authors: Kokkin Damian , Ivanov Maxim , Loman John , Cai Jin-Zhe , Uhler Brandon , Reilly Neil , Rathore Rajendra , Reid Scott A.
Published: October 2018

Studies of exciton and hole stabilization in multichromophoric systems underpin our understanding of electron transfer and transport in materials and biomolecules. The simplest model systems are dimeric, and recently we compared the gas-phase spectroscopy and dynamics of van der Waals dimers of fluorene, 9-methylfluorene (MF), and 9,9′-dimethylfluorene (F1) to assess how sterically controlled facial encumbrance modulates the dynamics of excimer formation and charge resonance stabilization (CRS). Dimers of fluorene and MF show only excimer emission upon electronic excitation, and significant CRS as evidenced in a reduced ionization potential for the dimer relative the monomer. By contrast, the dimer of F1 shows no excimeric emission, rather structured emission from the locally excited state of a tilted (non π-stacked) dimer, evidencing the importance of C–H/π interactions and increased steric constraints that restrict a cofacial approach. In this work, we report our full results on van der Waals clusters of F1, using a combination of theory and experiments that include laser-induced fluorescence, mass-selected two-color resonant two-photon ionization spectroscopy, and two-color appearance potential measurements. We use the latter to derive the binding energies of the F1 dimer in ground, excited, and cation radical states. Our results are compared with van der Waals and covalently linked clusters of fluorene to assess both the relative strength of π-stacking and C–H/π interactions in polyaromatic assemblies and the role of π-stacking in excimer formation and CRS.