bluuebunny/crossref_metadata_2025_split huggingface dataset:
Protein Structure Classification
Authors: Pearl Frances MG , Sillitoe Ian , Orengo Christine A 
Published: October 2015

Abstract

To understand and map the universe of protein structures, it is necessary to collate, annotate and classify these structures in a rational scheme. While the individual protein structures reveal much about the specific molecular mechanisms that underlie a particular biological function, taken together this body of data also allows biologists to explore the evolution of structure and function. As structure is much better conserved than sequence, these data also facilitate the recognition of evolutionary relationships that are hidden at the sequence level. The different approaches that have been taken to tackle this problem include the identification of protein domains, phylogenetic and phenetic classification and hierarchical and nearest‐neighbour clustering. Powerful sequence searching methods then enable structural assignments to be allocated to genomic data.

Key Concepts

Proteins comprise recognisable smaller sequence domains.

Domains usually consist of secondary and supersecondary structures and have an average size of 150 ± 50 residues.

These domains may be thought of as units of evolution, which recur in many proteins in various combinations.

Structural classifications have been developed that group domains into fold and sequence families.

The phenetic approach groups the proteins according to their structural characteristics.

The phylogenetic approach groups proteins into families according to their evolutionary history.
Deconvolution Methods for Low Exposure Fluorescence Microscopy
Authors: Arigovindan Muthuvel 
Published: October 2015

AbstractDeconvolution microscopy is the only viable form of fluorescence microscopy when we study sensitive cells such as yeasts with imaging experiments of longer durations. It makes the full utilisation of emission photons in order to make the actual or practical/obtainable resolution to be as close as to the theoretical resolution limit. The postprocessing step, known as the deconvolution, which refers to computational inversion of microscope's image blurring model, plays a crucial role in maximisation of the obtainable resolution. In particular, the obtainable resolution is determined by the mathematical technique used for stabilising the computational inversion process against the noise, which is known as regularisation. The regularisation is an expression of some prior knowledge about the structure of a typical image, and its suitability to the actual structure greatly determines the maximum resolution obtainable by a deconvolution method. Advancements in the design of regularisation methods that are specifically tuned for fluorescence imaging will make new type of experiments – with imaging durations longer than ever – possible.Key ConceptsThe problem of phototoxicity limits the imaging duration in 4D microscopy.In 4D deconvolution microscopy, actual resolution is significantly lower than the theoretical resolution.In 4D deconvolution microscopy, extending imaging duration causes loss of resolution, and setting a minimum requirement on actual resolution limits imaging duration.Extent of the loss of resolution in 4D deconvolution microscopy is determined by the efficiency of the deconvolution method.The efficiency of deconvolution method is determined by the suitability of the regularisation functional used in deconvolution.
Endocannabinoid‐Like Lipids in Plants
Authors: Chilufya Jedaidah Y , Devaiah Shivakumar P , Sante Richard R , Kilaru Aruna 
Published: October 2015

Abstract

Classically, endogenous fatty acid ethanolamides and their derivatives that bind to the cannabinoid receptors and trigger a signalling pathway are referred to as endocannabinoids. Although derivatives of arachidonic acid, including arachidonylethanolamine or anandamide, are the known endogenous ligands for cannabinoid receptors, other fatty acid ethanolamides or
N
‐acylethanolamines (NAE) that vary in carbon chain length and saturation occur ubiquitously in eukaryotic organisms and play an important role in their physiology and development. The metabolic pathway for NAEs is highly conserved among eukaryotes and well characterised in mammalian systems. Although NAE pathway is only partly elucidated in plants, significant progress has been made in the past 20 years in understanding the implications of the metabolism of saturated and unsaturated endocannabinoid‐like molecules in plant development and growth. The latest advancements in the field of plant endocannabinoid research are reviewed.

Key Concepts

Endocannabinoids are endogenous ligands of cannabinoid receptors in mammalian systems.

Endocannabinoids belong to a class of small bioactive lipid molecules that are derivatives of fatty acids including their ethanolamides, referred to as
N
‐acylethanolamines.

N
‐Acylethanolamines are ubiquitous and their metabolic pathway is highly conserved among eukaryotes.

In higher plants, only 12–18C
N
‐acylethanolamines have been identified and their metabolic pathway is partly elucidated.

The endocannabinoid‐like lipids play an important role in seed germination, seedling development, flowering and cellular organisation.

In plants,
N
‐acylethanolamines also participate in mediating responses to biotic and abiotic stress.
Use of Vaccines to Eradicate Infectious Disease
Authors: Minor Philip D 
Published: October 2015

Abstract

Smallpox and Rinderpest have been eradicated by vaccines, and polio is likely to be a third. The key elements to a successful programme include the need for a technically suitable but not necessarily perfect vaccine, good understanding of the disease and its transmission, willingness to adapt approaches, adequate surveillance mechanisms, political and societal commitment and funding. The programmes so far have been drawn out over decades so the commitment must be long term. The tools to eradicate measles and rubella are already available, and programmes in South America provide proof of principle. Other diseases such as malaria or yellow fever may be more problematic, and certain diseases such as tuberculosis and AIDS are intractable to vaccination at the time of writing. Other strategies not dependent on vaccines may be applicable. The programmes are expensive but less so than living with the burden of preventable disease.

Key Concepts

Eradication by vaccination has technical requirements to do with the disease and the availability of adequate vaccines.

It requires political and societal commitment and flexibility of approach.

It is a long‐term effort extending over decades.

There are diseases that could be eradicated with existing tools.

Not all eradication efforts require a vaccine.
Crack growth of natural rubber filled with functionalized silica particles
Authors: Chang Aijun , Weng Gengsheng , Fu Kun , Ding Yaxuan , Gong Dirong 
Published: October 2015

ABSTRACTIn the present work, functionalized liquid isoprene rubber (FLIR) was used to improve the filler dispersion and filler–rubber interaction in the silica filled natural rubber system. By the infrared spectra and scanning electron microscopy, it was proved that the FLIR was successfully grafted on the silica and the functionalized silica was dispersed in the NR matrix homogeneously. Based on the real‐time crack tip morphology monitoring method, the influence of FLIR on the crack growth behavior of NR filled with silica was analyzed. By the adding of FLIR, the crack resistance of the natural rubber embedded with functionalized silica is remarkably increased. When the weight ratio of FLIR to silica is 3:10, the NR composite has the best crack resistance. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2016,133, 42972.
Cooling rate dependence of the crystallinity at nonisothermal crystallization of polymers: A phenomenological model
Authors: Schawe Jürgen E. K. 
Published: October 2015

ABSTRACTThe cooling rate dependence of the crystallinity of polymers is investigated via the example of different technical polypropylenes using fast scanning calorimetry (FSC) in a cooling rate range between 1 and 5000 K s−1. In the slower cooling rate range (below 100 K s−1) the crystallinity increases slightly with decreasing cooling rate. Above cooling at 100 K s−1 the crystallinity decreases substantially and vanishes at the critical cooling rate. We describe this behavior using a simplified model with two components: the generic crystallinity function and the retardation function. For a mathematical description, we use empirically fitted functions that describe the cooling rate dependence of the crystallinity and the critical cooling rate. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 42977.
Incorporating early life stages of fishes into estuarine spatial conservation planning
Authors: Costa Micheli D. P. , Possingham Hugh P. , Muelbert José Henrique 
Published: October 2015

AbstractMany species of fish depend on estuaries to complete their development. Most of them have a planktonic early life stage, and adults of the same species often live in a different habitat.The aim was to assess the importance of incorporating data on fish eggs and larvae in systematic conservation planning at the Patos Lagoon estuary, Brazil.Different scenarios, where fish larvae and eggs were or were not included in the systematic conservation planning process, were investigated.An estimate of artisanal fishing revenue was used as an opportunity cost and compared with a spatially homogeneous cost. Cluster analysis was performed to assess the impact of incorporating ichthyoplankton data on the outcomes of estuarine systematic conservation planning.Regardless of the opportunity cost, the spatial plans fell into two clusters – those with and without fish egg and larvae data. This shows that egg and larvae data have a large impact on priorities for conservation actions in space.This approach is the first to combine artisanal fishery economic spatial data with a conservation plan that incorporates early life stages of fishes.In the case of the Patos Lagoon estuary, shallow areas were particularly important for reaching conservation targets in all scenarios. Considering the dynamic nature of these ecosystems, much work needs to be done to devise better methods of spatial planning in estuaries.Copyright © 2015 John Wiley & Sons, Ltd.
Hierarchical NiCo2S4 Nanotube@NiCo2S4 Nanosheet Arrays on Ni Foam for High‐Performance Supercapacitors
Authors: Chen Haichao , Chen Si , Shao Hongyan , Li Chao , Fan Meiqiang , Chen Da , Tian Guanglei , Shu Kangying 
Published: October 2015

AbstractHierarchical NiCo2S4 nanotube@NiCo2S4 nanosheet arrays on Ni foam have been successfully synthesized. Owing to the unique hierarchical structure, enhanced capacitive performance can be attained. A specific capacitance up to 4.38 F cm−2 is attained at 5 mA cm−2, which is much higher than the specific capacitance values of NiCo2O4 nanosheet arrays, NiCo2S4 nanosheet arrays and NiCo2S4 nanotube arrays on Ni foam. The hierarchical NiCo2S4 nanostructure shows superior cycling stability; after 5000 cycles, the specific capacitance still maintains 3.5 F cm−2. In addition, through the morphology and crystal structure measurement after cycling stability test, it is found that the NiCo2S4 electroactive materials are gradually corroded; however, the NiCo2S4 phase can still be well‐maintained. Our results show that hierarchical NiCo2S4 nanostructures are suitable electroactive materials for high performance supercapacitors.
Sensitive detection of strong acidic condition by a novel rhodamine‐based fluorescent pH chemosensor
Authors: Tan Jia‐Lian , Yang Ting‐Ting , Liu Yu , Zhang Xue , Cheng Shu‐Jin , Zuo Hua , He Huawei 
Published: October 2015

AbstractA novel rhodamine‐based fluorescent pH probe responding to extremely low pH values has been synthesized and characterized. This probe showed an excellent photophysical response to pH on the basis that the colorless spirocyclic structure under basic conditions opened to a colored and highly fluorescent form under extreme acidity. The quantitative relationship between fluorescence intensity and pH value (1.75–2.62) was consistent with the equilibrium equation pH = pKa + log[(Imax – I)/(I – Imin)]. This sensitive pH probe was also characterized with good reversibility and no interaction with interfering metal ions, and was successfully applied to image Escherichia coli under strong acidity. Copyright © 2015 John Wiley & Sons, Ltd.
Production of Basic Chemicals on the Basis of Renewable Resources as an Alternative to Petrochemistry?
Authors: Wagemann Kurt 
Published: October 2015

AbstractThe current development in the USA, dominated by cheap shale gas, will make a significant impact on the production of basic chemicals. In this context, the paper addresses the question of whether the share of renewable resources for chemical production can be increased or whether the number of bio‐based products and processes will tend to progressively decrease. Answers are obtained by selecting a number of basic chemicals and comparing the existing production processes, based on petrochemicals, with alternatives, based on renewable or alternative fossil resources (e.g., methane and lower alkanes).
ChemInform Abstract: Preparation, Structural and Photoluminescence Characteristics of Novel Red Emitting Mg7Ga2GeO12:Mn4+ Phosphor.
Authors: Wu Chuanqiang , Li Jiajia , Xu Hua , Wu Jing , Zhang Jiachi , Ci Zhipeng , Feng Lin , Cao Chen , Zhang Zhiya , Wang Yuhua 
Published: October 2015

AbstractMg7Ga2GeO12:Mn4+ is prepared by firing stoichiometric amounts of (MgCO3)4Mg(OH)2·5H2O, Ga2O3, GeO2, and MnCO3 in air (alumina crucible, 1400 °C, 10 h).
ChemInform Abstract: High‐Mobility Sm‐Doped Bi2Se3 Ferromagnetic Topological Insulators and Robust Exchange Coupling.
Authors: Wang Xuefeng , et al.  
Published: October 2015

Abstract(SmxBi1‐x)2Se3 (x = 0, 0.002, 0.005, 0.025, 0.05) crystals are prepared by melting mixtures of the elements (silica ampules, 950 °C, 5 d followed by annealing at 550 °C for 5 d).
ChemInform Abstract: A Study of the Al—Pt—Ir Phase Diagram.
Authors: Grushko B. , Samuha S. , Meshi L. 
Published: October 2015

AbstractPhase equilibria in the Al—Pt—Ir ternary system are studied for ≤50 at.% Al at 1100 °C, ≤70 at.% Al at 900 C, and ≤75 at.% Al at 810 °C through levitation induction melting of the elements followed by annealing at the mentioned temperature for 146‐306 h.
ChemInform Abstract: Hydrogen Absorption in R2T2M Compounds with the W2CoB2‐Type Structure.
Authors: Miliyanchuk Khrystyna , Havela Ladislav , Tsaruk Yuliya , Maskova Silvie , Gladyshevskii Roman 
Published: October 2015

AbstractLn2Ni2Al (Ln: Gd, Er, Lu) and Ln2Ni2Sn (Ln: Gd, Tb) are prepared by arc melting of the elements and subsequently crushed to submillimeter particles.
ChemInform Abstract: Non‐Condensed (Oxo)Nitridosilicates: La3[SiN4]F and the Polymorph o‐La3[SiN3O]O.
Authors: Durach Dajana , Schnick Wolfgang 
Published: October 2015

AbstractThe isotypic compounds (IV) and (VII) are characterized by single crystal XRD, SEM, and FTIR and Raman spectroscopy.
ChemInform Abstract: Hydrothermal Synthesis, Structure and Properties of Two New Phosphomolybdates Based on Strandberg‐Type {P2Mo5O23}6‐ Building Units.
Authors: Hu Gonghao , Dong Yayu , He Xingxiang , Miao Hao , Zhou Shuai , Xu Yan 
Published: October 2015

AbstractCompounds (III) and (IV) are hydrothermally synthesized at different pH values and their structures are determined by single crystal XRD.
ChemInform Abstract: Reactivity and O2 Formation by Mn(IV)‐ and Mn(V)‐Hydroxo Species Stabilized within a Polyfluoroxometalate Framework.
Authors: Schreiber Roy E. , Cohen Hagai , Leitus Gregory , Wolf Sharon G. , Zhou Ang , Que Lawrence , Neumann Ronny 
Published: October 2015

AbstractFormation of only the α1 isomer of (III) is assured by controlling the reaction temperature to 80—85 °C.
ChemInform Abstract: A Novel Paradodecatungstate‐B Compound Decorated by Transition Metal Copper, Na2Cu5(H2O)24(OH)2 [H2W12O42]·10H2O: Synthesis, Structure and Antitumor Activities.
Authors: Qu Xiaoshu , Yang Yanyan , Yu Xiaoyang , Lv Ze , Ji Mingshuang , Feng SuYang 
Published: October 2015

AbstractThe title compound is prepared by evaporation of an aqueous solution containing Na2WO4, H2SO4, CuSO4, morpholine, AcOK, and HCl (pH 3.8, room temperature, 7 d, 29% yield).
ChemInform Abstract: Divergent Synthesis of Chiral Heterocycles via Sequencing of Enantioselective Three‐Component Reactions and One‐Pot Subsequent Cyclization Reactions.
Authors: Tang Min , Xing Dong , Huang Haoxi , Hu Wenhao 
Published: October 2015

AbstractThe Zr‐catalyzed three‐component reaction of methyl phenyldiazoacetate (II) with aldimine (Ia) and alcohols (V) gives rise to chiral aminoalcohols (VI).
ChemInform Abstract: Cu(0)/Selectfluor System‐Mediated Mild Synthesis of Fluorinated Fluorenones from Nonaromatic Precursors (1,6‐Enynes) Involving C—C Single Bond Cleavage.
Authors: Zhang Jian , Wang Heng , Ren Shaobo , Zhang Wei , Liu Yunkui 
Published: October 2015

AbstractDepending on the substitution pattern of the 1‐aryl‐6‐tert‐butyl substituted substrates not only fluorinated fluorenones, but also tert‐butylated fluorenones are isolated in low amounts or as the major product.
ChemInform Abstract: Iridium‐Catalyzed Dynamic Kinetic Isomerization: Expedient Synthesis of Carbohydrates from Achmatowicz Rearrangement Products.
Authors: Wang Hao‐Yuan , Yang Ka , Bennett Scott R. , Guo Sheng‐rong , Tang Weiping 
Published: October 2015

AbstractA highly stereoselective dynamic kinetic isomerization of Achmatowicz rearrangement products is presented.
ChemInform Abstract: Apparent Electrophilic Fluorination of 1,3‐Dicarbonyl Compounds Using Nucleophilic Fluoride Mediated by PhI(OAc)2.
Authors: Nash Toby J. , Pattison Graham 
Published: October 2015

AbstractOptimized procedures are developed for the fluorination of 2‐substituted ring systems and for di‐ or monofluorination of unsubstituted chains.
ChemInform Abstract: Mild Electrophilic Trifluoromethylthiolation of Ketones with Trifluoromethanesulfanamide.
Authors: Wu Wei , Zhang Xuxue , Liang Fang , Cao Song 
Published: October 2015

AbstractThe trifluoromethylthiolation of ketones (I), (IV), and (VI) proceeds readily in the presence of acetyl chloride to afford mono‐trifluoromethylthiolated products (III), (V), and (VII).
ChemInform Abstract: Magnetically Recyclable Iron Oxide Nanoparticles for the α‐Cyanation of Amines under Acid‐Free Conditions and the Formal Synthesis of Praziquantel.
Authors: Patil Mahendra , Kapdi Anant R. , Kumar A. Vijay 
Published: October 2015

AbstractCyanation of amines is carried out by cross‐dehydrogenative‐coupling using Fe2O3 as catalyst and ethyl cyanoformate as cyanide source.
ChemInform Abstract: Oxidative Homocoupling of Arylboronic Acids Catalyzed by a 4‐Aminoantipyrine‐Pd(II) Complex.
Authors: Contreras‐Celedon Claudia Araceli , Rincon‐Medina Jose Arturo , Mendoza‐Rayo Dario , Chacon‐Garcia Luis 
Published: October 2015

AbstractThe title reaction proceeds under mild conditions using an air‐ and moisture‐stable 4‐aminoantipyrine—Pd(II) complex as catalyst.
ChemInform Abstract: The Rhodium Complex of Bis(diphenylphosphinomethyl)dopamine‐coated Magnetic Nanoparticles as an Efficient and Reusable Catalyst for Hydroformylation of Olefins.
Authors: Shaikh Mohammed Nasiruzzaman , Bououdina Mohamed , Jimoh Abiola Azeez , Aziz Md. Abdul , Helal Aasif , Hakeem Abbas Saeed , Yamani Zain H. , Kim Tae‐Jeong 
Published: October 2015

AbstractA new bis(diphenylphosphinomethyl)dopamine (bpd) ligand is prepared and anchored on the surface of magnetic nanoparticles (MNP).
ChemInform Abstract: Enantio‐ and Diastereoselective Synthesis of 1,2‐Hydroxyboronates Through Cu‐Catalyzed Additions of Alkylboronates to Aldehydes.
Authors: Joannou Matthew V. , Moyer Brandon S. , Meek Simon J. 
Published: October 2015

AbstractAryl and hetarylaldehydes as well as 3‐alkenyl and 2,3‐disubstituted acrylates are efficiently transformed to 1,2‐hydroxyboronates, and upon hydrolysis 1,2‐diols are obtained in moderate to high yields, with high diastereoselectivities in favor of the syn‐form and with high enantioselectivities.
ChemInform Abstract: Metal‐Free Iodine‐Catalyzed Direct Arylthiation of Substituted Anilines with Thiols.
Authors: Yang Daoshan , Yan Kelu , Wei Wei , Zhao Jing , Zhang Mengqi , Sheng Xuguang , Li Guoqing , Lu Shenglei , Wang Hua 
Published: October 2015

AbstractThe procedure is successfully applied in the synthesis of LFA‐1/CAM‐1 inhibitor (XXI).
ChemInform Abstract: Catalyst‐Free Direct Decarboxylative Coupling of α‐Keto Acids with Thiols: A Facile Access to Thioesters.
Authors: Yan Kelu , Yang Daoshan , Wei Wei , Zhao Jing , Shuai Yuanyuan , Tian Laijin , Wang Hua 
Published: October 2015

AbstractAryl‐substituted α‐keto acids are successfully transformed in a scalable manner with aryl and alkyl thiols to form thioesters in high yields.
ChemInform Abstract: Facile Synthesis of Spirocyclic Lactams from β‐Keto Carboxylic Acids.
Authors: Yang Wei , Sun Xianyu , Yu Wenbo , Rai Rachita , Deschamps Jeffrey R. , Mitchell Lauren A. , Jiang Chao , MacKerell Alexander D. , Xue Fengtian 
Published: October 2015

AbstractThis one‐pot cascade reaction towards both spirocyclic and fused cyclic lactams involves a Curtius rearrangement and an intramolecular nucleophilic addition of the enol carbon to the isocyanate intermediate.
ChemInform Abstract: Synthesis of γ‐Difluoromethyl α,β‐Unsaturated γ‐Butyrolactones Using PhSCF2SiMe3 as a Difluoromethylating Agent.
Authors: Issaree Arisara , Masusai Chonticha , Soorukram Darunee , Kuhakarn Chutima , Reutrakul Vichai , Pohmakotr Manat 
Published: October 2015

AbstractSuitable approaches to the desired title compounds are elaborated and the way via key lactol (II), obtained as diastereomeric mixture after SiO2 chromatography, is found to be the optimal one.
ChemInform Abstract: Broensted Acid Catalyzed Asymmetric Hydroamination of Alkenes: Synthesis of Pyrrolidines Bearing a Tetrasubstituted Carbon Stereocenter.
Authors: Lin Jin‐Shun , Yu Peng , Huang Lin , Zhang Pan , Tan Bin , Liu Xin‐Yuan 
Published: October 2015

AbstractThe thiourea moiety in the substrates acts as both the activating and directing group through cooperative multiple hydrogen bonding with the Broensted acid and the double bond.
ChemInform Abstract: Ru‐Catalyzed Redox‐Neutral Cleavage of the N—O Bond in Isoxazolidines: Isatogens to Pseudoindoxyls via a One‐Pot [3 + 2]‐Cycloaddition/N—O Cleavage.
Authors: Suneel Kumar Chepuri V. , Ramana Chepuri V. 
Published: October 2015

Abstract1,3‐Dipolar cycloaddition of nitrones (I) and (IV) with alkenes affords intermediary isoxazolidines which undergo direct one‐pot Ru‐catalyzed redox‐neutral N—O bond cleavage to yield 2,2‐disubstituted pseudoindoxyls.
ChemInform Abstract: A Michael Equilibration Model to Control Site Selectivity in the Condensation Toward Aminopyrazoles.
Authors: Fandrick Daniel R. , Sanyal Sanjit , Kaloko Joseph , Mulder Jason A. , Wang Yuwen , Wu Ling , Lee Heewon , Roschangar Frank , Hoffmann Matthias , Senanayake Chris H. 
Published: October 2015

AbstractConditions for the site‐selective condensation between hydrazines and alkoxy 2‐cyanoacrylates or their malononitrile counterparts are elaborated.
ChemInform Abstract: Palladium‐Catalyzed ortho‐C—H Alkenylation of 2‐Benzyl‐1,2,3‐triazoles.
Authors: He Ping , Tian Qingshan , Kuang Chunxiang 
Published: October 2015

AbstractThe alkenylation of 2‐benzyl‐1,2,3‐triazoles bearing various substituents on the benzyl moiety with acrylates, acrylamides, and acrylonitrile is described.
ChemInform Abstract: Functionalization of a Pyridine Framework Through Intramolecular Reissert—Henze Reaction of N‐(Carbamoyloxy)pyridinium Salts and Unexpected Insertion of Ethereal Solvents.
Authors: Asahara Haruyasu , Kataoka Asuka , Hirao Shotaro , Nishiwaki Nagatoshi 
Published: October 2015

Abstract2‐Pyridyl carbamates are synthesized involving a new intramolecular transformation of an acyloxy group from N‐carbamoyloxypyridinium salts as key step.