bluuebunny/crossref_metadata_2025_split huggingface dataset:
Fragment-screening at the BESSY II MX-beamlines of the Helmholtz-Zentrum Berlin
Authors: Mueller Uwe , Ühlein Monika , Linnik Janina , Heine Andreas , Klebe Gerhard , Weiss Manfred 
Published: November 2015

Within the last decade, the fragment-based screening approach has been matured to a reliable and powerful instrument of pharmaceutical drug discovery. The success of fragment screening strongly depends on the quality of the chosen fragment library (100-200 Da), the quality of the target protein diffraction as well as the possibility to use high throughput methods for the screen application. A thorough crystallographic analysis of many protein-fragment complex structures and their binding modes has the perspective to result in the development of new potential lead structures and to map the interaction landscape of protein surfaces. Recently we started the development of a dedicated experimental facility for high throughput fragment screening at the BESSY II storage ring. The in house data processing pipeline "XDSAPP" [1] has been developed to speed up the data evaluation of large amounts of diffraction data. We have assembled a fragment library of 96 compounds and have validated this library against two target proteins. These first results suggest that our library is capable of identifying binding partners at a hit rate of close to 10%. This library together with a fully automated beam line [2] will be made accessible to users, thus enabling fragment-screening experiments on a much broader basis.
Porous peptide frameworks generated by stacking non-self-complementary β-sheets
Authors: Soldatov Dmitriy , Yazdani Abdolreza , Crewson Julia , Fillion Travis , Smith Aaron , Ignacio Melissa 
Published: November 2015

One of major approaches in the design of cavity space in the solids utilizes non-self-complementary molecules[1]. The irregular shape of the molecules and/or specific directionality of potential H-bonds prevent close packing of the molecules and yields various architectures hosting a second component, from inclusion compounds and co-crystals to complex non-crystalline patterns in biology. The strategy of non-self-complementary molecules has been extended in our studies to 2D supramolecular polymers based on short peptides[2]. The formation of the peptide layer with a desired overall geometry is controlled by strong, charge-assisted H-bonds (arrows in the Figure) in a β-sheet-like network as well as the segregation of hydrophobic amino acid residues into the interlayer space. The H-bonds add stability to the whole architecture while the hydrophobic groups keep the stacking layers at a distance that generates a cavity space available to a second component (encircled "G" in the Figure). A wide range of inclusions and co-crystals have been prepared in our group based on a series of dipeptides and higher peptide oligomers. For example, the incorporation of various organic solvents and bioactive molecules have been demonstrated for leucyl-alanine and similar dipeptides: alcohols, amides, phenols, pyridines, polyols, vitamins, scents and flavors. The crystal structure studies reveal a surprisingly persistent structural motif that can be used for engineering of crystalline materials with a specific property. We believe this type of peptide matrix may be utilized in the solid state organic synthesis [3] as reactive molecules of the second component can be oriented in a predictable way with respect to each other.
Structural Biology Knowledgebase: An Integrated Resource for Modern Biologists
Authors: Gabanyi Margaret , Adams Paul , Chen Li , DePietro Paul , Gifford Lida , Haas Juergen , Minor Wladek , McLaughlin William , Schwede Torsten , Tao Yi-Ping , Westbrook John , Zimmerman Matthew , Berman Helen 
Published: November 2015

The Structural Biology Knowledgebase (SBKB, http://sbkb.org) was established as a data aggregator to facilitate research design and analysis for a wide variety of biological systems. It serves as a single resource that integrates structure, sequence, and functional annotations plus technical information regarding protein production and structure determination. Researchers can search the SBKB by sequence, PDB ID or UniProt accession code, and receive an up-to-the-minute list of matching 3D experimental structures from the Protein Data Bank, pre-built theoretical models from the Protein Model Portal, annotations from 100+ open biological resources, structural genomics target histories and protocols from TargetTrack, and ready-to-use DNA clones from DNASU. It also possible to find structures according to functional relevance (KB-Rank tool), or find related technologies and publications from the PSI Technology and Publications Portals, respectively. Interactive tools such as real-time theoretical modeling and biophysical parameter prediction also enhance understanding of proteins that are not yet well characterized. Experimentally-focused "hubs" collect links to helpful tools and resources for the areas of Structural Targets; Structure, Sequence and Function; Homology Models, Methods and Technologies, and Membrane Proteins. In partnership with the Nature Publishing Group, latest research highlights and articles on specific biological systems are written monthly to share the impact of structural biology. This presentation will demonstrate how the SBKB turns data into knowledge and enables further research. SBKB is funded by a grant from the National Institute of General Medical Sciences of the National Institutes of Health (U01 GM093324).
New modular oxide structures using lone pair cations as "chemical scissors"
Authors: Batuk Maria , Batuk Dmitry , Abakumov Artem , Hadermann Joke 
Published: November 2015

It is known that lone pair cations, such as Bi3+ or Pb2+ have a flexible coordination environment that enables them to operate as "chemical scissors". Their flexibility reduces the strain that would otherwise be present at the interfaces separating structure modules. We have found that in complex oxides it allows many variants of interfaces, for example crystallographic shear planes or (non)conservative twin planes in structures, enabling the synthesis of new structural families. A common characteristic for all these new compounds is the presence of magnetical frustration. As a first example, this concept allowed to introduce crystallographic shear planes into the perovskite structure, a feat that was considered highly unlikely before. This allowed to generate a new anion deficient perovskite based homologous series AnBnO3n-2 (n = 4 - 6). There is magnetic frustration at the crystallographic shear plane separating the perovskite blocks, due to competing FM and AFM interactions. Also incommensurately modulated perovskites can be obtained, for example (Pb,Bi)1-xFe1+xO3-y. These arise by replacing Bi3+ with Pb2+, which introduces an oxygen deficiency, which is then accommodated by periodically spaced CS planes to reduce the coordination of the A-cations at the interface. The flexible coordination environment of Bi3+ and Pb2+ makes them ideally suited for these A cation positions. Other possibilities were encountered in BiMnFe2O6 and Bi4Fe5O13F. In BiMnFe2O6 the Bi3+ induces the existence of a non-conservative twin plane. The result is a new structure type with hcp structured modules. In Bi4Fe5O13F, the Bi3+-cations separate layers with magnetically frustrated Cairo lattices.
Relationships between top managers’ leadership and infrastructure sustainability
Authors: Meng Junna , Xue Bin , Liu Bingsheng , Fang Ning 
Published: November 2015

Purpose
– Top managers who possess outstanding leadership competence make significant contributions toward achieving project success. The relationship between the top managers’ leadership and infrastructure sustainability (IS), one of the most important project success criteria, is empirically researched in this study. The purpose of this paper is to explore relationships between top managers’ leadership competence of intellectual competence (IQ), managerial competence (MQ), and emotional and social competence (EQ) and to explore relationships between leadership competence and IS.

Design/methodology/approach
– Based on 246 obtained responses to a questionnaire survey across infrastructure projects in the context of the Chinese urbanization process, the analysis of the relationships between top managers’ leadership and IS was performed using a structural equation model (SEM).

Findings
– Results indicate that top managers’ leadership competence, with MQ being the main determinant, followed by IQ, directly drives the entire life cycle of an infrastructure project toward accomplishing IS. Through positively influencing the moderate variable of MQ, EQ competence is found to have an indirect influence on IS.

Practical implications
– In terms of practical implications, the outcomes of this research will provide criteria for the selection of top managers for infrastructure projects to realize IS during the process of Chinese urbanization.

Originality/value
– The established SEM improves the leadership competence framework of IQ, MQ, and EQ in the respect of reflecting the context of infrastructure projects and promotes the research and development of leadership theory in the construction area.
Observer-based finite-time sliding mode control for reentry vehicle
Authors: Liu Xiangdong , Ren Xiaohuan , Sheng Yongzhi 
Published: November 2015

Purpose
– The purpose of this paper is to design a disturbance observer-based finite-time global sliding mode control scheme for the attitude tracking control problem of the reentry vehicle with parameter uncertainties and disturbances.

Design/methodology/approach
– Feedback linearization is first introduced to transform vehicle model into three independent second order uncertain subsystems. Then a finite-time controller (FTC) is proposed for the nominal system on the basis of the homogeneity theory. Thereafter the integral sliding mode method is introduced for the vehicle with disturbances. The finite time convergence is achieved and global robustness is also assured by the combination of finite time control method and integral sliding mode strategy. Furthermore, to improve the attitude angle tracking accuracy a novel finite time disturbance observer (DO) is constructed.

Findings
– Simulation is made for the reentry vehicle with disturbances involved. And the results show the finite-time convergence, tracking accuracy and robustness of the proposed strategy.

Originality/value
– The proposed control strategy has three advantages. First of all it can achieve finite time convergence and avoid singularity. Moreover, it can also realize global robustness. Finally, a new kind of DO is introduced to improve the tracking accuracy.
World Heritage site as a label in branding a place
Authors: Hassan Azizul , Rahman Mizan 
Published: November 2015

Purpose– The purpose of this paper is to argue that the World Heritage Site (WHS) status as a label plays an important role in branding, creating awareness among the tourists and promoting a specific place – be it natural or cultural.Design/methodology/approach– The study is based on qualitative research and utilised interviews and explanatory case study method, taking Maritime Greenwich WHS as a case.Findings– It is found that the status of WHS motivates the tourists in general and heritage tourists in particular to visit the case study site. Also, the status helps in boosting the level of confidence of the tourists while selecting the site. Overall, it helps to reinforce the identity of a place. However, sustainability and conservation should not take a back seat when the very purpose of branding a site as WHS is this.Originality/value– It is ideal to have a balance in managing the demand and supply side of place management and marketing making sure that the heritage value and trust is kept intact.
Integrated management structure for cultural heritage in Palestine
Authors: Shehada Ziad M.M. , Yaacob Naziaty Mohd , Keumala Nila Inangda Manyam 
Published: November 2015

Purpose
– The purpose of this paper is to develop an integrated management structure for the identification and evaluation of Palestine’s heritage, although the unending Israeli occupation poses a huge, multi-faceted constraint. Necessarily, the approach chosen considers aptly the local culture, values, dynamics and context, assimilating the significance of a broader range of different, diverse historical and cultural resources with a variety of meanings, tangible and otherwise, across various sections of the population.

Design/methodology/approach
– A multi-technique strategy emphasized the combination of between-technique triangulation in the implementation to enhance and improve substantially the related internal legitimacy of the investigation. A thorough exploration was executed via field investigation survey, meetings with the local communities and conservation questionnaires. Equally useful was the second method employed to gain valuable information on the transformation of conservation activities in highly diverse geological and cultural cases in the USA, France and Egypt.

Findings
– This research consequently produced a much needed, important approach for the recognition, assessment and administration of Palestine’s ancient cultural assets with respect to native culture, standards, non-static aspects and boundaries.

Originality/value
– The study assists the authorities and decision makers in developing mechanisms for the management of the cultural heritage that would stop the expansion of Israeli settlements as a form of non-violent resistance.
Impacts of the FoSHU (Food for Specified Health Uses) system on food evaluations in Japan
Authors: Ono Makoto , Ono Akinori 
Published: November 2015

Purpose
– This study aims to examine the various effects of two licensing factors – health claims and “FoSHU seal”, which can be appeared on packages only with permission. In the Food for specified health uses (FoSHU) system, Japanese Government controls all health claims on packages of food products for the first time in the world.

Design/methodology/approach
– In Study 1, the authors investigate the signaling effects of the two licensing factors with a 2 (health claims: yes/no) × 2 (FoSHU seal: yes/no) factorial design. Then, in Study 2, the authors investigate the external effects on alternative brands with a 2 (package of the non-FoSHU brand: similar/dissimilar to the FoSHU brand) × 2 (presentation of the FoSHU brand: yes/no) design.

Findings
– The results show that food evaluations are affected by the FoSHU seal, indicating that, with the symbolic mark, FoSHU foods can be successfully differentiated from non-FoSHU foods. In contrast, food evaluations are not affected by health claims – health claims have external effects on evaluations of non-FoSHU products in the category if both FoSHU and non-FOSHU products have a similar package.

Originality/value
– Although there are many studies regarding the impacts of health claims on food evaluations, they have assumed only US regulatory system and, therefore, have not examined the effects of licensing marks. Also, because Japanese approval system is dissimilar to US regulatory system, the effects of health claims in Japan are different from those in the USA. By analyzing various effects of Japanese system on consumer evaluation of food healthiness, this study contributes to a better understanding of the impacts of the public policy and food marketing on consumer behavior.
Comparative practices of food label claims from US, EU and selected Southeast Asian countries
Authors: Lwin May O. 
Published: November 2015

Purpose
– The purpose of this paper is to fulfil gaps in knowledge regarding food packaging practices in Southeast Asia by examining the informational content of food labels on a variety of packaged foods.

Design/methodology/approach
– Using local and imported food products found in supermarkets in Singapore, a quantitative content analysis of food label claims in a wide range of packaged food products was conducted. A codebook was developed to capture the attributes of the food labels and claims, content categories, product names, food categories, sources of manufacture and countries of brand origin. The three main regions of analysis of country of manufacture were the USA, European Union (EU) and Southeast Asia.

Findings
– Analysis of food products manufactured in five Southeast Asian countries revealed the presence of various claims in food products, and a number of specific claims exceeded the percentages found in products from the USA or EU. The results showed that a significant proportion of products from Southeast Asian countries display nutrient content and nutrient function claims, as well as general marketing claims and non-nutrient claims. However, there were variations in practice amongst the five Southeast Asian countries.

Research limitations/implications
– The sample was limited in being collected from one geographic location. Future research needs to expand data collection both geographically and longitudinally.

Practical implications
– The findings are valuable for the national health authorities in addressing policies on food package labelling, and homogenization efforts pertaining to regional/international labelling policies. These in turn could influence food marketing practices.

Social implications
– The findings are useful in crafting educational programming and guidelines for health and nutrition education.

Originality/value
– This research is the first to explore food labelling practices in multiple Southeast Asian countries and compare them cross-sectionally with EU and US practices.
Nectar chemistry modulates the impact of an invasive plant on native pollinators
Authors: Tiedeken Erin Jo , Egan Paul A. , Stevenson Philip C. , Wright Geraldine A. , Brown Mark J. F. , Power Eileen F. , Farrell Iain , Matthews Sharon M. , Stout Jane C. 
Published: November 2015

Summary

Invasive species are considered a main driver of pollinator declines, yet the direct effects of invasive alien plants on pollinators are poorly understood.

Abundant, invasive plant species can provide a copious nectar resource for native pollinators. However, the nectar of some plants contains secondary compounds, usually associated with defence against herbivores. The impacts of these compounds on pollinators are often unknown.

We compared how consumption of grayanotoxin I and III, natural secondary compounds in the nectar of invasive Rhododendron ponticum L., affected three native bee species: a honeybee, (Apis mellifera L.), a solitary mining bee (Andrena carantonica, Pérez) and a bumblebee, (Bombus terrestris, L.).

Survival of the solitary bee and the bumblebee species was not affected by either grayanotoxin, but honeybees were ∼20× more likely to die when fed solutions containing grayanotoxin I. Furthermore, solitary bees were deterred from feeding and exhibited malaise behaviours indicative of sublethal toxicity in response to consumption of grayanotoxin I. In contrast, grayanotoxins did not affect bumblebee survival or behaviour, even when bees were subjected to multiple stressors (parasite infection or food stress).

Our experiments suggest that while R. ponticum provides abundant floral nectar, it is only available as a food resource to pollinators that tolerate grayanotoxins. Pollinators whose health is negatively affected by grayanotoxins may experience negative impacts from R. ponticum invasion directly (if they consume R. ponticum nectar) or indirectly (if native floral resources are replaced by R. ponticum).

Our study makes a novel comparison of the effects of a natural nectar secondary compound on three pollinator species and clearly demonstrates drastic variation in the responses of different key pollinator taxa to a nectar toxin. Our findings are thus in congruence with literature demonstrating the varying effects of invasive plant chemistry on native foliar herbivores, and our work demonstrates that nectar chemistry should be taken into account when determining the impacts of plant invasion for native pollinators.
Cultivating microbial dark matter in benzene‐degrading methanogenic consortia
Authors: Luo Fei , Devine Cheryl E. , Edwards Elizabeth A. 
Published: November 2015

SummaryThe microbes responsible for anaerobic benzene biodegradation remain poorly characterized. In this study, we identified and quantified microbial populations in a series of 16 distinct methanogenic, benzene‐degrading enrichment cultures using a combination of traditional 16S rRNA clone libraries (four cultures), pyrotag 16S rRNA amplicon sequencing (11 cultures), metagenome sequencing (1 culture) and quantitative polymerase chain reaction (qPCR; 12 cultures). An operational taxonomic unit (OTU) from the Deltaproteobacteria designated ORM2 that is only 84% to 86% similar to Syntrophus or Desulfobacterium spp. was consistently identified in all enrichment cultures, and typically comprised more than half of the bacterial sequences. In addition to ORM2, a sequence belonging to Parcubacteria (candidate division OD1) identified from the metagenome data was the only other OTU common to all the cultures surveyed. Culture transfers (1% and 0.1%) were made in the presence and absence of benzene, and the abundance of ORM2, OD1 and other OTUs was tracked over 415 days using qPCR. ORM2 sequence abundance increased only when benzene was present, while the abundance of OD1 and other OTUs increased even in the absence of benzene. Deltaproteobacterium ORM2 is unequivocally the benzene‐metabolizing population. This study also hints at laboratory cultivation conditions for a member of the widely distributed yet uncultivated Parcubacteria (OD1).
Sensory Characteristics and Comparison of Commercial Plain Yogurts and 2 New Production Sample Options
Authors: Brown Marissa D. , Chambers Delores H. 
Published: November 2015

AbstractThis research determined the sensory characteristics of currently available plain yogurts available in U.S. supermarkets and examined how 3 “more sustainable” prototypes compared. The prototypes, nonfat set‐style yogurts pre‐acidified after pasteurization with lemon juice or citric acid at 80 ppm to pH 6.2, had shorter fermentation times than the lab‐made control. These reduced fermentation times could result in energy reductions and potentially substantiate a “sustainable” marketing claim, a concept gaining traction with consumers. Twenty‐six commercial yogurts, varying in percent milk fat, milk source (organic or conventional), and processing (set‐style, stirred, or strained/Greek‐style), were also included. Using descriptive sensory analysis, a 6‐person highly trained panel scored the intensity of 25 flavor and 10 texture attributes on a 15‐point scale. Three replications were carried out, and all samples were tested at least 10 d prior to the end of their shelf‐lives. The samples differed for 19 flavor and all 10 texture attributes. Cluster analysis indicated approximately 7 flavor and 5 texture clusters. The prototype pre‐acidified with lemon juice was similar to category leaders nonfat yogurt varieties. The prototype pre‐acidified with citric acid was similar in texture but was less sour. Although no legal definitions exist for “sustainable,” the prototypes’ sensory characteristics are comparable to those of popular yogurts indicating potential market viability. This research also demonstrates potential for making yogurt that is in line with growing consumer expectations for sustainability. Despite the current diversity, several combinations of flavor and texture were not represented.