bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: New Facile, Eco‐Friendly and Rapid Synthesis of Trisubstituted Alkenes Using Bismuth Nitrate as Lewis Acid.
Authors: Muhammad Munira T. , Khan Khalid M. , Taha Muhammad , Khan Tariq , Hussain Shafqat , Fakhri Muhammad I. , Perveen Shahnaz , Voelter Wolfgang
Published: June 2016

This rapid Knoevenagel condensation of aromatic aldehydes with malononitrile proceeds under mild conditions in water as green solvent.
ChemInform Abstract: Ru‐Catalyzed Asymmetric Hydrogenation of δ‐Keto Weinreb Amides: Enantioselective Synthesis of (+)‐Centrolobine.
Authors: Zhao Mengmeng , Lu Bin , Ding Guangni , Ren Kai , Xie Xiaomin , Zhang Zhaoguo
Published: June 2016

Enantio‐enriched δ‐hydroxy Weinreb amides are prepared by asymmetric hydrogenation in high yields and enantioselectivities.
ChemInform Abstract: Ruthenium‐Catalyzed Cycloisomerization of 2,2′‐Diethynylbiphenyls Involving Cleavage of a Carbon—Carbon Triple Bond.
Authors: Matsuda Takanori , Kato Kotaro , Goya Tsuyoshi , Shimada Shingo , Murakami Masahiro
Published: June 2016

A novel cycloisomerization reaction of 2,2′‐diethynylbiphenyls giving 9‐ethenylphenanthrenes is described.
ChemInform Abstract: Synthesis and Crystal Structure of a [70]Fullerene—Pentacene Monoadduct
Authors: Shirai Hitoshi , Tajima Tomoyuki , Kubo Kentaro , Nishihama Takuya , Miyake Hideaki , Takaguchi Yutaka
Published: June 2016

The first isolation of a single pure regioisomer of a C70—acene monoadduct is reported.
ChemInform Abstract: Enantioselective Access to Spirocyclic Sultams by Chiral Cpx—Rhodium(III)‐Catalyzed Annulations.
Authors: Pham Manh V. , Cramer Nicolai
Published: June 2016

The new and rapid entry to chiral spirocyclic sultams involves a [3 + 2] annulation of N‐sulfonyl ketimines and an alkyne.
ChemInform Abstract: In situ Generated Reagent from Sulfur for Alkynylanthraquinone Cyclization. The Simple Synthesis of Angular Thienoanthraquinones.
Authors: Fedenok Lidiya G. , Fedotov Kirill Yu. , Pritchina Elena A. , Polyakov Nikolaj E.
Published: June 2016

A highly reactive sulfinating agent is generated in situ by the reaction of elemental sulfur and NaOH allowing the synthesis of thienoanthraquinone derivatives from alkynylanthraquinones.
ChemInform Abstract: Synthesis and Characterization of Polyindole and Its Catalytic Performance Study as a Heterogeneous Catalyst.
Authors: Chhattise Prakash , Handore Kalpana , Horne Amit , Mohite Kakasaheb , Chaskar Atul , Dallavalle Sabrina , Chabukswar Vasant
Published: June 2016

A simple methodology for the efficient formation of biologically active 3,3‐arylmethylene bis‐1H indoles (III) using polyindole as a heterogeneous catalyst is developed.
ChemInform Abstract: Convergent Activation Concept for CO2 Fixation in Carbonates.
Authors: Desens Willi , Werner Thomas
Published: June 2016

A catalytic system allowing for simultaneous activation of carbon dioxide and epoxides is reported.
ChemInform Abstract: (Imidazol‐2‐yl)methyl‐1,3‐propanediones: Regioselective C—H Functionalization of the Imidazole Ring by Acylacetylene/Aldehyde Pairs.
Authors: Trofimov Boris A. , Andriyankova Ludmila V. , Nikitina Lina P. , Belyaeva Kseniya V. , Mal'kina Anastasiya G. , Bagryanskaya Irina Yu. , Afonin Andrei V. , Ushakov Igor A.
Published: June 2016

The reaction is carried out under metal‐free conditions with aromatic reactants.
ChemInform Abstract: Microwave Assisted Synthesis and Cytotoxic Activity Evaluations of New Benzimidazole Derivatives.
Authors: Bui Hue Thi Buu , Ha Quy Thi Kim , Oh Won Keun , Vo Duy Duc , Chau Yen Nguyen Tram , Tu Cuc Thi Kim , Pham Em Canh , Tran Phuong Thao , Tran Loan Thi , Mai Hieu Van
Published: June 2016

The microwave assisted condensation of aldehydes (I) and (VIII) with aromatic diamines or o‐nitroaniline give benzimidazole derivatives.
ChemInform Abstract: Ceria‐Vanadia/Silica‐Catalyzed Cascade for C—C and C—O Bond Activation: Green One‐Pot Synthesis of 2‐Amino‐3‐cyano‐4H‐pyrans.
Authors: Maddila Surya Narayana , Maddila Suresh , van Zyl Werner E. , Jonnalagadda Sreekantha B.
Published: June 2016

A three‐component cyclocondensation of dimedone, aromatic aldehydes, and malononitrile in ethanol provides a green and efficient synthesis of the title compounds.
ChemInform Abstract: One‐Pot Synthesis of Benzopyran‐4‐ones with Cancer Preventive and Therapeutic Potential.
Authors: Talhi Oualid , et al.
Published: June 2016

The title benzopyranones are prepared by a tandem sequence involving the organobase‐catalyzed Michael addition of R1COCH2COR2 to chromonecarboxylic acid leading to decarboxylation followed by a Baker—Venkataraman rearrangement of the resulting Michael—adducts via chromone‐ and/or chromanone ring closure when R1 is an ortho‐hydroxyaryl group.
ChemInform Abstract: Cross‐Dehydrogenative Regioselective C(sp3)—C(sp2) Coupling of Enamino‐Ketones Followed by Rearrangement: An Amazing Formation Route to Acridine‐1,8‐dione Derivatives.
Authors: Sarkar Rajib , Mukhopadhyay Chhanda
Published: June 2016

The title compounds are prepared by homocoupling of enamine ketones derived from cyclic 1,3‐diketones with benzyl amines and by heterocoupling of aminocyclohexenones with benzyl enaminoketones.
ChemInform Abstract: Metal‐Free Direct α‐Selective Arylation of Boron Dipyrromethenes via Base‐Mediated C—H Functionalization.
Authors: Zhou Xin , Wu Qinghua , Yu Yang , Yu Changjiang , Hao Erhong , Wei Yun , Mu Xiaolong , Jiao Lijuan
Published: June 2016

The base‐mediated C—H functionalization of a boradiazaindacene derivative with diaryliodonium salts provides a straightforward facile access to α‐arylboradiazaindacene dyes.
ChemInform Abstract: Friedel—Crafts‐Type Intermolecular C—H Silylation of Electron‐Rich Arenes Initiated by Base‐Metal Salts.
Authors: Yin Qin , Klare Hendrik F. T. , Oestreich Martin
Published: June 2016

The simple combination of an Fe(II) salt with NaBARF mediates an otherwise difficult electrophilic aromatic substitution (SEAr) with an in situ generated silicon electrophile.
ChemInform Abstract: One‐Pot Synthesis of 4‐(Phenylselanyl)‐Substituted Pyrazoles.
Authors: Zora Metin , Demirci Deniz , Kivrak Arif , Kelgokmen Yilmaz
Published: June 2016

Reaction of α,β‐alkynic aldehydes with hydrazines (II) produces in situ α,β‐alkynic hydrazones, which upon treatment with PhSeCl undergo cyclization to afford title pyrazoles in good to high yields.
ChemInform Abstract: Catalytic Asymmetric Synthesis of anti‐α,β‐Diamino Acid Derivatives.
Authors: Izumi Sanae , Kobayashi Yusuke , Takemoto Yoshiji
Published: June 2016

A chemo‐, regio‐, and stereoselective addition of hydroxylamines to alkylideneoxazolones using chiral phosphoric acid catalysts affords anti‐α,β‐diamino acid derivatives.
ChemInform Abstract: A Pyrone, Naphthoquinone, and Cyclic Urea from the Marine‐Derived Fungus Astrosphaeriella nypae BCC 5335
Authors: Chokpaiboon Supichar , Unagul Panida , Kongthong Surisa , Danwisetkanjana Kannawat , Pilantanapak Apiradee , Suetrong Satinee , Bunyapaiboonsri Taridaporn
Published: June 2016

isolation and structure elucidation of astronypyrone (I), astronyquinone (II), and astronyurea (III)
ChemInform Abstract: Earth‐Abundant Stable Elemental Semiconductor Red Phosphorus‐Based Hybrids for Environmental Remediation and Energy Storage Applications
Authors: Ansari Sajid Ali , Khan Ziyauddin , Ansari Mohammad Omaish , Cho Moo Hwan
Published: June 2016

Review: 60 refs.
ChemInform Abstract: Recent Advances in Gold‐Catalyzed N‐ and O‐Functionalizations of Alkynes with Nitrones, Nitroso, Nitro and Nitroxy Species
Authors: Huple Deepak B. , Ghorpade Satish , Liu Rai‐Shung
Published: June 2016

Review: [47 refs.
ChemInform Abstract: Zwitterionic Imidazolium Salt: Recent Advances in Organocatalysis
Authors: Das Sudarshan , Santra Sougata , Mondal Pallab , Majee Adinath , Hajra Alakananda
Published: June 2016

Review: [50 refs.
ChemInform Abstract: Progress and Prospects on DENV Protease Inhibitors
Authors: Timiri Ajay Kumar , Sinha Barij Nayan , Jayaprakash Venkatesan
Published: June 2016

Review: 76 refs.
ChemInform Abstract: Dendrimeric Based Microbicides Against Sexual Transmitted Infections Associated to Heparan Sulfate
Authors: Cena‐Diez Rafael , Sepulveda‐Crespo Daniel , Maly Marek , Munoz‐Fernandez Ma Angeles
Published: June 2016

Review: 109 refs.
ChemInform Abstract: Diversity of Layered Zeolites: From Synthesis to Structural Modifications
Authors: Xu Le , Wu Peng
Published: June 2016

Review: 127 refs.
ChemInform Abstract: Computer‐Assisted Synthetic Planning: The End of the Beginning
Authors: Szymkuc Sara , Gajewska Ewa P. , Klucznik Tomasz , Molga Karol , Dittwald Piotr , Startek Michal , Bajczyk Michal , Grzybowski Bartosz A.
Published: June 2016

Review: [61 refs.
ChemInform Abstract: Understanding the Hydrogen Bonds in Ionic Liquids and Their Roles in Properties and Reactions
Authors: Dong Kun , Zhang Suojiang , Wang Jianji
Published: June 2016

Review: 206 refs.
Facile Diastereoseparation of Glycosyl Sulfoxides by Chiral Stationary Phase
Authors: Taniguchi Tohru , Asahata Mai , Nasu Akihito , Shichibu Yukatsu , Konishi Katsuaki , Monde Kenji
Published: June 2016

Separation of the diastereomers of glycosyl sulfoxides differing in the sulfur chirality has been difficult. This article presents a fast and scalable method for their diastereoseparation using a chiral stationary phase. The usefulness of this method was demonstrated in a 500‐mg scale separation within 20 min, and in the separation of trisaccharyl sulfoxide diastereomers. Chirality 28:534–539, 2016. © 2016 Wiley Periodicals, Inc.
Endometrial cancer: Not your grandmother's cancer
Authors: McAlpine Jessica N. , Temkin Sarah M. , Mackay Helen J.
Published: June 2016

Worldwide, the incidence of endometrial carcinoma (EC) is rapidly increasing, and the highest disease burden is reported in North America and Western Europe. Although the prognosis remains good for patients with are diagnosed with early stage EC, for those with recurrent or metastatic disease, the options are few, and the median overall survival is short. It is imperative to gain a greater understanding of all aspects of EC, limit its effect on scarce health care resources and, more importantly, prevent this cancer from significantly impacting future generations of women. An exciting new era of endometrial cancer research and clinical management has begun that incorporates biologically and clinically relevant genomic and clinicopathologic parameters. Continued collaborative research efforts and funding are essential if we are to advance our understanding of this disease and improve clinical outcomes. Cancer 2016. © 2016 American Cancer Society. Cancer 2016;122:2787–2798. © 2016 American Cancer Society
The (6–4) Dimeric Lesion as a DNA Photosensitizer
Authors: Vendrell‐Criado Victoria , Rodríguez‐Muñiz Gemma M. , Lhiaubet‐Vallet Virginie , Cuquerella M. Consuelo , Miranda Miguel A.
Published: June 2016

The front cover artwork is provided by Miguel A. Miranda and co‐workers at Instituto de Tecnología Química (UPV‐CSIC). The image shows that (6–4) photoproducts, primary UVB dimeric lesions, act as photosensitizers of cyclobutane pyrimidine dimers that are produced as secondary DNA lesions. Read the full text of the article at 10.1002/cphc.201600154.
A finite element analysis of novel vented dental abutment geometries for cement‐retained crown restorations
Authors: Rodriguez Lucas C. , Saba Juliana N. , Meyer Clark A. , Chung Kwok‐Hung , Wadhwani Chandur , Rodrigues Danieli C.
Published: June 2016

Recent literature indicates that the long‐term success of dental implants is, in part, attributed to how dental crowns are attached to their associated implants. The commonly utilized method for crown attachment – cementation, has been criticized because of recent links between residual cement and peri‐implant disease. Residual cement extrusion from crown‐abutment margins post‐crown seating is a growing concern. This study aimed at (1) identifying key abutment features, which would improve dental cement flow characteristics, and (2) understanding how these features would impact the mechanical stability of the abutment under functional loads. Computational fluid dynamic modeling was used to evaluate cement flow in novel abutment geometries. These models were then evaluated using 3D‐printed surrogate models. Finite element analysis also provided an understanding of how the mechanical stability of these abutments was altered after key features were incorporated into the geometry. The findings demonstrated that the key features involved in improved venting of the abutment during crown seating were (1) addition of vents, (2) diameter of the vents, (3) location of the vents, (4) addition of a plastic screw insert, and (5) thickness of the abutment wall. This study culminated in a novel design for a vented abutment consisting of 8 vents located radially around the abutment neck‐margin plus a plastic insert to guide the cement during seating and provide retrievability to the abutment system.Venting of the dental abutment has been shown to decrease the risk of undetected residual dental cement post‐cement‐retained crown seating. This article will utilize a finite element analysis approach toward optimizing dental abutment designs for improved dental cement venting. Features investigated include (1) addition of vents, (2) diameter of vents, (3) location of vents, (4) addition of plastic screw insert, and (5) thickness of abutment wall.
IO circuit design for 2.5D through‐silicon‐interposer interconnects
Authors: Jawed Syed Arsalan , Afridi Sohaib Saadat , Anjum Muhammad Arslan , Khan Khubaib
Published: June 2016

This paper presents four topologies of voltage‐mode un‐terminated IO cells in 28‐nm CMOS for single‐ended rail‐to‐rail signaling over a passive interposer die in 2.5D configuration for >1Gbps data rates. The presented design explores the existing IO design‐space from a 2.5D viewpoint, optimizing existing topologies from area, speed, power and protection perspectives, with a higher degree of configurability in the form of pre‐emphasis and slew‐rate control. The transmitter (TX) embeds pre‐emphasis to enhance high‐frequency components of the signal for longer low‐pass natured channels. The TX also implements slew‐rate control to minimize reflections on shorter channels because of impedance discontinuities and also to minimize simultaneous switching noise. Level‐shifting capability embedded in the receiver (RX) enables multi‐technology interfacing where different dies are signaling at their core voltages (range: 0.7 V–1.8 V) instead of following a particular signaling standard. The measurement results of the transceivers, over a interposer of length of 3.5 mm, demonstrate ±5% duty‐cycle distortion with 700 μW at 500 MHz/0.8‐V‐signaling on the channel with jitter of 20 ps, ±10% duty‐cycle distortion with 1.8 mW at 1Gbps/0.9‐V signaling with jitter of 20 ps, ±10% duty‐cycle distortion with 2 mW at 2Gbps/0.7‐V signaling for 1‐V receiver core voltage with a jitter of 10 ps. Copyright © 2016 John Wiley & Sons, Ltd.
Consider circumstances for accommodations that impact essential course elements
Authors: Hope Joan
Published: June 2016

Most accommodations for students are routine. But what do you do when an accommodation could impact an essential course element? For example, what if the accommodation could conflict with attendance or participation requirements?
Development of High Power, Large Area, Deep Ultraviolet Light Emitting Devices Using Dynamic Microplasma Excitation (MIPE) of AlGaN Multiple Quantum Wells
Authors: KUROSE NORIKO , AOYAGI YOSHINOBU
Published: June 2016

We have succeeded in developing a new dynamic microplasma‐excited deep ultraviolet light emitting device using aluminum gallium nitride (AlGaN) multi‐quantum wells (MIPE). The operating principle is completely different from that of current injection‐type deep ultraviolet light emitting diodes. We have created a 12 × 5.5 cm device with a power of about 1 W at a wavelength of 325 nm. We can achieve panel‐type laminar‐flow water purification and cleaning systems that can be alternatives to the use of mercury lamps as a DUV light source, since these cannot be used under the Minamata Treaty. The wavelength region from 210 nm to 250 nm realized in this device opens new fields of academic research and areas of application, in which the decomposition of materials that are difficult to break down, the synthesis of new materials, including a new H2 battery cell, and disinfection of water are possible.
Simulation of Bullying and Conforming in a Class Based on Socion Theory
Authors: OSUMI TOSHIHIRO , OSAWA HIROTAKA , IMAI MICHITA
Published: June 2016

Bullying is a serious problem, especially at elementary schools and junior high schools, and occurs all over the world with some variations. As a countermeasure against bullying, many interventions and preventive programs have been proposed (e.g., counseling, dispatch of advisers, group work, suspension orders) and there have been many investigations presenting analyses of bullying along with intervention and prevention strategies. However, numerous samples and long times are required for the analysis of strategies in the real world. We believe that simulations of bullying and countermeasures are effective in providing quick and easy analysis. In this investigation, we developed a simulation model of school bullying “within‐group” or “within‐class” that is based on “socion theory”. The primary feature of socion theory is that each agent has an imagined personal relationship. We implemented a strategy called the “conforming strategy” to simulate bullying caused by conforming behavior of students. Student agents who implement the conforming strategy watch the human relationships around them and update their own imagined relationships. They then conform to the behavior of other students to achieve better social standing or to maintain their position on the basis of simulation results based on their own imagined relationships. The results of the experiments show that the conforming strategy increases the probability of bullying and the number of victims, and that conforming behavior increases the probability of bullying in the real world. We also describe a situation in which teachers underestimate or cannot perceive bullying when it occurs, and many teachers underestimate or cannot perceive bullying in the real world. Overall, we show that socion theory has sufficient expressiveness to be used as a foundation for bullying simulation.
Improvement of Determination Algorithm for Eye Glance Input Interface
Authors: ITO YUTA , ITAKURA NAOAKI , MITO KAZUYUKI , MIZUNO TOTA
Published: June 2016

In our previous studies, an eye control input interface using an electrooculograph (EOG) amplified by ac coupling has been developed. We proposed an eye gesture input interface using a combination of several eye movements. It is unnecessary for eye gesture input to restrict head movement, in contrast to conventional eye gaze input. However, it is necessary to use a start operation before eye gesture input. Therefore, eye glance input has been proposed. Eye glance input uses only a combination of eye movements in opposite directions, so that it does not need start operations. However, eye glance input has not always been successful because the algorithm for detection of eye movement from EOG signals was not adapted to slight shifts of the signal baseline. In this study, we propose a new determination algorithm for the eye glance input interface. In experiments using our improved algorithm, we achieved direction determination success rates of over 80% for six subjects.
Development and technofunctional‐sensory characterization of virtually TFA free deep‐frying fats for artisan bakery products
Authors: Merkle Sybille , Giese Editha , Dietz Nadine , Lösche Klaus , Fritsche Jan
Published: June 2016

Trans fatty acids (TFA) are considered undesirable food components due to their unequivocally proven negative effects on cardiovascular health. Twelve virtually TFA free deep‐frying fats were developed by blending various liquid and solid vegetable fat components and characterized in terms of their technofunctional‐sensory properties. The aim was to develop fat blends with similar or improved technofunctional‐sensory properties as common deep‐frying fats for bakery applications. For this purpose, foaming and splattering behavior during deep‐frying, melting behavior, sensory properties as well as thermal and oxidation stability were analyzed. Moreover, volatile rancid off‐taste compounds were determined by HS‐SPME‐GC‐O/MS. Acrolein was measured by means of NTD‐GC‐MS. Six optimized deep‐frying fat prototypes were further investigated in a long‐term deep‐frying study using donut‐like products and quark balls as model bakery products. Most of the prototypes displayed high thermal stability as measured by total polar material (TPM) and polymerized triglycerides (PTG). Some of the deep‐frying fat blend prototypes performed equally well or even better than the virtually TFA free deep‐frying fats regarding oxidation stability. Several deep‐frying fat blend prototypes were similar to the TFA rich reference in most sensory attributes. These results were used to establish a deep‐frying fat toolbox that may be applied for further fat blend optimizations. Finally, this research data may contribute to endorse artisan bakeries to use only virtually TFA free deep‐frying fats for the production of deep‐fried bakery products.

Practical applications: Many artisan bakeries in Germany still use deep‐frying fats containing partially hydrogenated peanut oils with high amounts of TFA. However, some have already replaced the deep‐frying fats by virtually TFA free alternatives. In order to encourage a more widespread application of virtually TFA free deep‐frying fats optimization of the latter in terms of their technofunctional and sensory properties is recommended. This research data may contribute to endorse artisan bakeries to use only virtually TFA free deep‐frying fats for the production of deep‐fried bakery products.

Novel virtually TFA free deep‐frying fat blends were developed and characterized in terms of their technofunctional‐sensory properties. The final optimized six prototypes exhibited similar or partly even improved technofunctional‐sensory properties compared to commercially available deep‐frying fats intended for bakery applications.
Octa‐1,7‐diene‐4,5‐diamine Derivatives: Useful Intermediates for the Stereoselective Synthesis of Nitrogen Heterocycles and Ligands for Asymmetric Catalysis
Authors: Gualandi Andrea , Grilli Stefano , Savoia Diego
Published: June 2016

The octa‐1,7‐diene‐4,5‐diamine skeleton is usually prepared by the addition of allylic organometallic reagents to glyoxal diimines. The relative and absolute configurations of the C4 and C5 stereocenters are dependent on the nature of the (chiral) nitrogen substituents. These compounds are useful intermediates for the construction of NHC carbene complexes and nitrogen heterocycles, such as 2,2′‐bipyrrolidines, 2,5‐diazabicyclo[2.2.1]heptanes, amino‐ and hydroxy‐substituted 7‐azanorbornane, and diamino‐substituted cyclohexanols and cyclohexanediols.
A qualitative exploration of alcohol use among student sportspeople: A social identity perspective
Authors: Zhou Jin , Heim Derek
Published: June 2016

Research indicates that university student sportspeople are a high‐risk subgroup for hazardous alcohol consumption. Adopting a social identity perspective, we explored the social and psychological processes linking sports participation and alcohol use. Twenty‐two individual semi‐structured interviews were conducted with UK student sportspeople (male: 12; female: 10). A deductive thematic analysis identified three core themes: social identification and sports group membership, identity processes in (alcohol) behaviours and sport context‐specific significance of alcohol. Results suggest that the consumptive practices among student sportspeople were strategic activities underpinned by social identity processes, and which served to provide a positive sports experience at the group level. Our findings highlight the interactions between the sport environment, the social structure of sport participation and the multipurpose function of alcohol in this context. We discuss the implications of these results in support of a social identity approach to sport‐related drinking.
Generic biomass estimation methods targeting physiologic process control in induced bacterial cultures
Authors: Reichelt Wieland N. , Thurrold Peter , Brillmann Markus , Kager Julian , Fricke Jens , Herwig Christoph
Published: June 2016

Advanced bioprocess development strategies focus on the control of physiological entities, which rely on accurate real‐time determination of the biomass concentration. Various methods have been proposed in literature but up to this date a comprehensive and differentiated comparison of biomass estimation approaches for early stage bioprocess development is missing. In this study, we compared hard sensor, soft‐sensor, and data‐driven approaches for real‐time biomass estimation in respect to accuracy, transferability, and costs. The outlined methods were tested with two different microbial strains and recombinant products using Escherichia coli. To investigate the applicability of the outlined methods, method performance was assessed in correspondence to metabolic activity. Based on statistical descriptors the methods were compared and discussed. The results indicate no significant impact of strain or biomass estimation approach on the measurement quality. The average relative error of 11–13% can be greatly reduced by over 85% combining the outlined methods by the means of weighted average. This approach proved to be highly robust even during highly dynamic process conditions of oscillating specific substrate uptake rates. Concluding, the combination of low cost first principle soft‐sensor approaches in combination with a hybrid soft‐sensor yields the best information‐to‐effort ratio.
Lipid biosynthesis in yeasts: A comparison of the lipid biosynthetic pathway between the model nonoleaginous yeast Saccharomyces cerevisiae and the model oleaginous yeast Yarrowia lipolytica
Authors: Fakas Stylianos
Published: June 2016

Lipid biosynthesis and its regulation have been studied mostly in the nonoleaginous yeast Saccharomyces cerevisiae that serves as a model for eukaryotic cells. On the other hand, the yeast Yarrowia lipolytica has been put forward as a model for oleaginous microorganisms because its genetics is known and tools for its genetic manipulation are becoming increasingly available. A comparison of the lipid biosynthetic pathways that function in these two microorganisms shows many similarities in key biosynthetic and regulatory steps. An example is the enzyme phosphatidic acid phosphatase that controls the synthesis of triacylglycerol (TAG) in both yeasts. Controlling the TAG synthesis is crucial for metabolic engineering efforts that aim to increase the production of microbial lipids (i.e. single cell oils) because TAG comprises the final product of these processes. At the same time the comparison reveals fundamental differences (e.g. in the generation of acetyl‐CoA for lipid biosynthesis) stemming from the oleaginous nature of Y. lipolytica. These differences warranty more studies in Y. lipolytica where the biochemistry and molecular biology of oleaginicity can be further explored.
Preparation of syngas by reforming of biological glycerol on charcoal catalyst
Authors: Qi Wei , Xu Qingli , Yan Yongjie
Published: June 2016

Preparation of syngas by reforming of biological glycerol on charcoal has been studied in a fixed bed reactor. The results indicated that charcoal was a novel kind of catalyst, which not only had an active effect on the reforming process, but can decrease the cost of production. The syngas yield, glycerol conversion, and H2 /CO could reach 1.37 m3/kg, 76.78%, and 3.04, respectively, at the conditions of 800°C, S/C of 4, WHSV of 2 h−1. Characterizations of fresh charcoal and used charcoal were analyzed with thermogravimetry, scanning electron microscopy, and BET. The results indicated that the coke from the polymerization of glycerol might be in an amorphous state, which was the reason of the decrease of surface area and average pore size of charcoal. © 2016 American Institute of Chemical Engineers Environ Prog, 35: 1765–1771, 2016
Revisiting Targeted Factors
Authors: Fosten Jack
Published: June 2016

This paper proposes new methods for ‘targeting’ factors estimated from a big dataset. We suggest that forecasts of economic variables can be improved by tuning factor estimates: (i) so that they are both more relevant for a specific target variable; and (ii) so that variables with considerable idiosyncratic noise are down‐weighted prior to factor estimation. Existing targeted factor methodologies are limited to estimating the factors with only one of these two objectives in mind. We therefore combine these ideas by providing new weighted principal components analysis (PCA) procedures and a targeted generalized PCA (TGPCA) procedure. These methods offer a flexible combination of both types of targeting that is new to the literature. We illustrate this empirically by forecasting a range of US macroeconomic variables, finding that our combined approach yields important improvements over competing methods, consistently surviving elimination in the model confidence set procedure. Copyright © 2016 John Wiley & Sons, Ltd.
Relevance of BRAF and NRAS mutations in the primary tumor and metastases of papillary thyroid carcinomas
Authors: Cañadas‐Garre Marisa , Becerra‐Massare Patricia , Moreno Casares Antonia , Calleja–Hernández Miguel Ángel , Llamas‐Elvira José Manuel
Published: June 2016

Background

Multifocality of papillary thyroid carcinoma (PTC) is common. BRAF and NRAS mutations are the most frequent genetic alterations in PTC. The purpose of this study was to determine the distribution and relevance of BRAFT1799A and NRAS mutations in PTC.

Methods

BRAFT1799A and NRAS mutations were evaluated in 195 intrathyroid or metastatic foci from 29 patients with multifocal PTC.

Results

BRAFT1799A mutation was positive in 46.7% of the 59 intrathyroid and 136 metastatic foci (91/195 foci). Heterogeneous BRAF pattern was observed in 51.7% patients (15/29 patients). Irrespective of BRAF status at diagnosis (thyroid or nodes), all patients with recurrent PTC presented BRAF‐mutated metastases during follow‐up. All foci were negative for NRAS mutations.

Conclusion

BRAF but not NRAS mutations were heterogeneously distributed among primary tumor, nodal sites, and recurrent disease. The BRAF status of metastases generated during the follow‐up can differ from the status of foci at diagnosis. © 2016 Wiley Periodicals, Inc. Head Neck 38: 1772–1779, 2016
Value of fine‐needle aspiration in evaluating large thyroid nodules
Authors: Raguin Thibaut , Schneegans Olivier , Rodier Jean‐François , Volkmar Pierre‐Philippe , Sauleau Eric , Debry Christian , Debonnecaze Guillaume , Ghnassia Jean‐Pierre , Dupret‐Bories Agnès
Published: June 2016

Background

The American Thyroid Association (ATA) recommends using ultrasound‐guided fine‐needle aspiration (FNA) in order to evaluate supracentimetric and suspect thyroid nodules. The purpose of this study was to evaluate the effective use of FNA before surgery for nodules over 3 cm in diameter.

Methods

In this retrospective study, we analyzed the results of ultrasound‐guided FNA and postoperative histological analysis in 843 nodules >3 cm.

Results

The FNA was informative in 42.6%. The correlation with the final histological analysis was 94.8% for benign nodules and 71.0% for malignant nodules. The FNA had a positive predictive value of 71%, a specificity of 97%, a sensitivity of 56%, and a 4.7% rate of false‐negative results.

Conclusion

Because there is a nonnegligible FNA risk of error, notably allowing the evolution of a cancer in 1 of 20 cases, the FNA data should not delay surgical intervention for potentially suspect nodules >3 cm in diameter. © 2016 Wiley Periodicals, Inc. Head Neck 39: 32–36, 2017
Framework for human health risk assessment of non‐cancer effects resulting from short‐duration and intermittent exposures to chemicals
Authors: Haber Lynne T. , Sandhu Reena , Li‐Muller Angela , Mohapatra Asish , Petrovic Sanya , Meek M. E. (Bette)
Published: June 2016

Durations of exposure to chemicals, whether for single, repeated or intermittent periods, may vary from those upon which most guidance values are normally based. Because it is presently not feasible to conduct toxicity studies or develop toxicity reference values (TRVs) specific to each scenario of interest, methods are needed to address these various durations, drawing as much as possible on existing TRVs. A working framework was developed to address the potential for non‐cancer effects resulting from continuous short‐duration and intermittent exposures to chemicals. The framework presents an integrated, tiered approach that assists the user in identifying when existing TRVs can be applied directly, and the adaptations needed to assess the acceptability of short‐duration or intermittent exposure scenarios. Descriptions of when and how toxicokinetic and toxicodynamic aspects need to be taken into consideration are also presented. The framework incorporates the use of TRVs based on exposure periods as similar as possible to the “actual” exposure periods and application of dose averaging under limited, specified conditions. This framework has been developed to aid in improving the scientific basis for the evaluation of short‐duration and intermittent exposures in a variety of settings. Copyright © 2016 John Wiley & Sons, Ltd.
Topological analysis of the electron delocalization range
Authors: Janesko Benjamin G.
Published: June 2016

The electron delocalization range function EDR() (Janesko et al., J. Chem. Phys. 2014, 141, 144104) quantifies the extent to which an electron at pointin a calculated wavefunction delocalizes over distance d. This work shows how topological analysis distills chemically useful information out of the EDR. Local maxima (attractors) in the EDR occur in regions such as atomic cores, covalent bonds, and lone pairs where the wavefunction is dominated by a single orbital lobe. The EDR characterizes each attractor in terms of a delocalization length D and a normalization, which are qualitatively consistent with the size of the orbital lobe and the number of lobes in the orbital. Attractors identify the progressively more delocalized atomic shells in heavy atoms, the interplay of delocalization and strong (nondynamical) correlation in stretched and dissociating covalent bonds, the locations of valence and weakly bound electrons in anionic water clusters, and the chemistry of different reactive sites on metal clusters. Application to ammonia dissociation over silicon illustrates how this density‐matrix‐based analysis can give insight into realistic systems. © 2016 Wiley Periodicals, Inc.
The influences of different spatial resolutions on the characteristics of T2 relaxation times in articular cartilage: A coarse‐graining study of the microscopic magnetic resonance imaging data
Authors: Zhuang Zhiguo , Lee Ji Hyun , Badar Farid , Xu Jianrong , Xia Yang
Published: June 2016

Microscopic magnetic resonance imaging (µMRI) T2 data from canine cartilage at different tibial locations were analyzed to investigate the influences of spatial resolution and pixel position on the T2 sensitivity to osteoarthritis (OA). Five experimental factors were investigated: inaccurate pixel position, different pixel resolutions, different specimen orientations in the magnetic field, topographical variations over the tibial surface, and different OA stages. A number of significant trends were identified in this analysis, which shows the subtle but substantial influences to our abilities of detecting OA due to T2 changes. In particular, any deviation in locating the cartilage pixels may result in erratic values near the cartilage surface. Significant differences were found in T2 values between nearly any two comparison‐groups under all resolutions both in the meniscus‐covered and ‐uncovered areas, which were also showed interaction between the OA degradation stages. This multiresolution project should help to improve the detection sensitivities of MRI toward cartilage degeneration. Microsc. Res. Tech. 79:754–765, 2016. © 2016 Wiley Periodicals, Inc.
A Facile Synthesis of New L‐Proline‐Based Trifluoromethyl Oxazole Derivatives Using Microwave Irradiation and Conventional Method
Authors: Ramezani Mahin , Darehkordi Ali
Published: June 2016

Cyclization reaction of l‐proline with trifluoroacetimidoyl chlorides has been developed as an efficient strategy for the synthesis of trifluoromethyl oxazole derivatives by two methods: (a) in the presence of K2CO3 as a base in acetonitrile at room temperature and (b) in the presence of K2CO3 as a base in acetonitrile using microwave irradiation, in one pot reaction. The microwave irradiation has been found to be the most efficient method. High yields and short reaction times were obtained for both electron‐releasing and electron‐withdrawing substituted N‐aryltrifluoroacetimidoyl chloride derivatives by microwave irradiation.
Synthesis of [3H] and [2H6]AZD6642, an inhibitor of 5‐lipoxygenase activating protein (FLAP)
Authors: Lindelöf Åsa , Ericsson Cecilia , Simonsson Roger , Nilsson Göran , Grönberg Gunnar , Elmore Charles S.
Published: June 2016

An AstraZeneca effort to identify a 5‐lipoxygenase activating protein inhibitor with good drug‐like properties resulted in the identification of AZD6642. To further understand its drug metabolism and pharmacokinetic properties, it was required labeled with tritium. The tritiation of AZD6642 was effected by Ir‐catalyzed exchange chemistry to give an average of one tritium per molecule. Additionally, a stable isotope labeled version of AZD6642 was required to support bioanalytical studies. The synthesis originated from [2H6]acetone which was converted to the trimethylsilyl cyanide adduct and subsequently reduced to give 2‐(aminomethyl)‐[1,1,1,3,3,3‐2H6]propan‐2‐ol in good yield. Carbonylation to give an amide adduct resulted in an intermediate that was converted to the final compound in four steps.
Controlled laser texturing of titanium results in reliable osteointegration
Authors: Coathup Melanie J. , Blunn Gordon W. , Mirhosseini Nazanin , Erskine Karen , Liu Zhu , Garrod David R. , Li Lin
Published: June 2016

We have developed a laser‐textured superhydrophilic Ti‐6Al‐4V surface with unique surface chemistry and topography that substantially promotes osteoblast adhesion in culture. Here we investigate the osteointegration of laser‐textured implants in an ovine model. Our hypothesis was that laser‐textured implants, without any surface coating (LT), would encourage comparable amounts of bone‐implant contact and interfacial strength when compared with widely accepted hydroxyapatite (HA) coated implants. Additionally, we hypothesized that LT would significantly increase bony integration compared with machine‐finished (MF) and grit‐blasted (GB) implants. Forty‐eight tapered transcortical pins were implanted into six sheep. Four experimental groups (LT, HA, MF, and GB) were investigated (n = 12) and implants remained in vivo for 6 weeks. Bone apposition rates, interfacial shear strength, and bone‐implant contact (BIC) were quantified. The interfacial strength of LT and HA implants were found to be significantly greater than GB (p = 0.032 and p = 0.004) and MF (p = 0.004 and p = 0.004, respectively), but no significant difference between LT and HA implants was observed. Significantly increased BIC was measured adjacent to HA implants when compared with both LT and GB implant surfaces (p = 0.022 and p = 0.006, respectively). No significant difference was found when LT and GB implants were compared. However, all surface finishes encouraged significantly increased BIC when compared with the MF surface. Maximizing implant fixation to host bone is vital for its long‐term success. The production of an LT surface is a simple and cheap manufacturing process and this study demonstrated that laser‐textured implants are a very promising technical development that warrants further research. © 2016 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 35:820–828, 2017.
Effect of added nitrogen fertilizer on pyrazines of roasted chicory
Authors: Jouquand Céline , Niquet‐Léridon Céline , Loaec Grégory , Tessier Frédéric Jacques
Published: June 2016

BACKGROUND

Coffee substitutes made of roasted chicory are affected by the formation of acrylamide whose main precursor is asparagine. One strategy for limiting the formation of acrylamide is to reduce free asparagine in the chicory roots by lessening the supply of nitrogen in the field. However, decreasing nitrogen fertilizer could affect the formation of the volatile compounds and, consequently, the sensory characteristics of the roasted chicory. The present study aimed to investigate the impact of the nitrogen supply in five commercial varieties on their aroma profile.

RESULTS

The addition of 120 kg ha−1 of nitrogen fertilizer in the field resulted in a greater amount of pyrazines in the roasted chicory. Triangle tests were performed to determine the effect of the nitrogen level on the sensory quality of the five varieties. The results revealed that the chicory aroma was modified in two out of five varieties.

CONCLUSION

The results of the present study suggest that a strategy aiming to limit the amount of acrylamide could affect the sensory quality of some varieties of chicory. Further acceptance tests need to be conducted to assess the effect (whether favourable or otherwise) on the sensory quality of the coffee substitutes. © 2016 Society of Chemical Industry
Inactivation kinetics of invertase in honey and honey–glucose syrup formulations: effects of temperature and water activity
Authors: Sramek Martin , Woerz Benjamin , Horn Helmut , Weiss Jochen , Kohlus Reinhard
Published: June 2016

BACKGROUND

The high viscosity and stickiness of honey in its natural state causes handling difficulties, therefore the demand for honey powder is continuously increasing. Powder preparation has to be performed gently because of the thermo‐ and oxidation‐ sensitive nature of honey. The aim of this study was to determine the degradation of invertase during drying as an indirect measure of the retention of valuable honey nutrients.

RESULTS

The reaction kinetics were estimated in polyfloral honey and honey–glucose syrup (GS) formulation and the impact of temperature (40–70°C) and water activity (aw 0.23–0.81) was established. The honey–GS formulation (55:45 w/w) was intended for the preparation of high‐grade honey powders using the vacuum‐drying method. Invertase inactivation at temperatures below 60°C followed first‐order kinetics. At 60°C high dilution (aw 0.81) and at 70°C, heterogeneous inactivation behaviour was observed. The best fit of invertase heterogeneous inactivation kinetic was achieved with the Cerf two‐fraction model. The GS addition showed a stabilizing effect on invertase during thermal degradation.

CONCLUSION

The data on invertase inactivation gathered here can be utilized to select optimal parameters for honey vacuum‐drying and other thermal processes in order to achieve maximum invertase retention. © 2016 Society of Chemical Industry
Selective adsorption of modified nucleoside cancer biomarkers by hybrid molecularly imprinted adsorbents
Authors: Iwanowska Agnieszka , Yusa Shin‐Ichi , Nowakowska Maria , Szczubiałka Krzysztof
Published: June 2016

Modified adenosine nucleosides have been proposed to be potential DNA‐based biomarkers for early diagnosis of tumor and a promising tool for the development of noninvasive prediction systems. However, the low concentration of modified adenosine nucleosides in physiological fluids makes them challenging for both quantitative and qualitative determination. Therefore, materials, which are potentially useful for selective adsorption of nucleobase‐containing compounds, were obtained. To obtain the adsorbents, the silica gel particles were coated layer‐by‐layer with films of the polymers with different combinations of polymers containing thymine groups. Next, the microspheres were irradiated with UV light in the presence of 2’‐deoxyadenosine or 5’‐deoxy‐5’‐(methylthio)adenosine, as template molecules, which resulted in the photodimerization of thymine moieties and molecular imprinting of adsorbed modified adenosine compounds. The selectivity of the adsorption was significantly enhanced by the photoimprinting process. Eventually, the imprinted particles have shown an improved ability to recognize mainly 2’‐deoxyadenosine and 5’‐deoxy‐5’‐(methylthio)adenosine molecules. The best performing adsorbent was obtained using modified natural polysaccharides. The studied materials could serve as promising adsorbents of biomarkers for tumor diagnostics.
Kinetics of Stripping Ni(II) from the Ni‐BTMPPA Complex/BTMPPA/Kerosene System by Sulfate‐Acetato Solution
Authors: Biswas Ranjit Kumar , Karmakar Aneek Krishna , Rahman Md. Saidur
Published: June 2016

The kinetics of stripping of Ni2+ from a Ni‐BTMPPA complex, dissolved in a kerosene solution of BTMPPA (H2A2, Cyanex 272), by acidic sulfate‐acetato solution, was studied using the single (falling) drop technique and flux (F) method of data treatment. The empirical flux equation at 303 K is Fb (kmol/m2s) = 10−4.35 [Ni2+] (1+10−3.42 [H+]−1)−1 ([H2A2](o)0.5+2.50 [H2A2](o))−1 (1+6[SO42−]) (1+3.20 [Ac−]). Activation energy (Ea), entropy change in activation (ΔS±), and enthalpy change in activation (ΔH±) were measured under different experimental conditions. Based on the empirical flux equation, Ea and ΔS±, the mechanism of Ni2+ stripping is provided. In a low [H+] region, the stripping reaction steps appear as [NiA+] → Ni2+ + A− and [Ni(HA2)2](int) → [NiHA2]+(int) + HA2(int)− in lower and higher concentration regions of free BTMPPA, respectively, provided [SO42−] and [Ac−] are kept low. However, at higher [H+] concentrations, the stripping is under diffusion control. With increasing [SO42−] and [Ac−], the enhancement of the rate is attributed to the attack of the Ni(II) complex by SO42− or HSO4− and Ac− to form NiSO4 or NiHSO4+ and NiAc+ complexes. Negative ΔS± values indicate that the rate‐determining stripping reaction steps occur via an substitution nucleophilic, bimolecular (SN2) mechanism.