bluuebunny/crossref_metadata_2025 huggingface dataset:
Plant Conservation and Botanic Gardens
Authors: Fay Michael F , Christenhusz Maarten JM
Published: November 2016

With a history dating back to the sixteenth century, modern botanic gardens have had an important role in plant conservation, most notably since the second half of the twentieth century. The formation of Botanic Gardens Conservation International in the 1980s and the development of the Global Strategy for Plant Conservation have led to many botanic gardens across the world now having conservation as a major focus. The combination of historical collections and expertise in areas including plant taxonomy, population genetics, propagation and seed banking mean that botanic gardens are ideally placed to play a major role inex situandin situplant conservation. Maintaining living collections of the rarest species in botanic gardens has been a way of saving these from extinction, albeit often in isolation from the other organisms (plants, animals and fungi) with which they would interact in nature.

Key Concepts

Approximately 20% of the world's plants are threatened with extinction.

Botanic gardens play a major role inex situandin situplant conservation.

Botanic Gardens Conservation International is an umbrella group of more than 500 gardens in approximately 100 countries.

The Global Strategy for Plant Conservation has resulted in many gardens becoming more involved in conservation as a major part of their activities.

The rarest plants find a secure home in botanic gardens and seed banks.

Botanic gardens need to practise vigilance to avoid the introduction of invasive species.
Embryonic Mammary Gland Development
Authors: Tickle Cheryll , Jung Han‐Sung
Published: November 2016

Mammary glands are derived from the ectoderm and are a defining feature of mammals. The number of glands that develop along the ‘mammary lines’ on either side of the ventral trunk depends on the mammalian species. The mesoderm specifies the position in which glands develop. Positional information is encoded by transcription factors and transmitted to overlying ectoderm by signalling molecules. Determination of the mammary epithelium arises from induction of transcription factors and signalling molecules. Signals from the mammary epithelium induce the underlying mesoderm to form the mammary mesenchyme required for further development. The gland initiates as a discrete placode which sinks into the mesoderm to form a bud; the bud then lengthens to form an elongated sprout, which undergoes branching morphogenesis in a pattern dictated by the mesoderm. The gland lining is generated by formation of the lumen, and bipotent mammary stem cells give rise to luminal epithelial and myoepithelial cells.

Key Concepts

Mammary glands develop along ‘mammary lines’ that run from axilla (anterior) to groin (posterior) along both right and left sides of the ventral aspect of the mammalian trunk.

Ectoderm cells of the mammary line migrate and aggregate to form individual discrete mammary placodes.

The precise location of the mammary line and the placodes in the ectoderm is controlled by signals from underlying mesodermal tissues.

Signals that control the formation of the mammary line and placodes include members of the WNT, FGF, NEUREGULIN and BMP signalling pathways. The Hedgehog signalling pathway is also involved.

The TBX3 transcription factor is essential for the formation of the mammary placodes in mouse embryos, and mutations in theTBX3gene have been found in patients with Ulnar‐mammary syndrome.

The epithelial cells of the mammary bud produce parathyroid hormone‐related protein, which induces nearby mesoderm to form the mammary mesenchyme.

Interactions between the mammary epithelial cells and the mammary mesenchyme are essential for further development and the subsequent elongation of the mammary bud to form a mammary sprout, which then undergoes branching morphogenesis in a pattern dictated by the deeper mesenchyme.

Formation of the lumen of the embryonic gland involves fusion of microlumina created by local development of nonadhesive surfaces on the mammary epithelial cells and generates the epithelial lining which consists of an inner layer of luminal cells and an outer layer of myoepithelial cells.

The cells of the mammary placode are determined to give rise to mammary epithelial cells; in the mammary bud, mammary stem cells can be detected that can give rise to both luminal and myoepithelial cells.

Parallels, such as invasiveness, exist between the development of embryonic mammary glands and breast tumours and many of same molecules are involved.
Molecular Genetics of
M
yhre Syndrome
Authors: Michot Caroline , Le Goff Carine , Cormier‐Daire Valérie
Published: November 2016

Myhre syndrome (MIM 139210) is a rare autosomal‐dominant disorder characterised by short stature, brachydactyly, facial dysmorphism (short palpebral fissures, prognathism and short philtrum), developmental delay with mental retardation or/and behavioural troubles, progressive deafness of mixed conductive and sensory type and a trio of thickened skin, generalised muscle hypertrophy and restricted joint mobility. Life‐threatening complications (obesity, arterial hypertension and bronchopulmonary insufficiency) are observed in the course of the disease leading to an early death. In 2011,
SMAD4
(SMAD family member 4) has been identified as the disease‐causing gene. All mutations identified so far are
de novo
heterozygous missense mutations, mainly involving Ile500. While SMAD4 inactivation is reported in juvenile polyposis syndrome with increased colorectal cancer risk, no increased tumoural risk has been observed in Myhre syndrome. SMAD4 is a key mediator of TGF‐β (transforming growth factor beta)/BMP (bone morphogenetic protein) signalling and the understanding of the consequences of
SMAD4
mutations during development will decipher new regulatory network related to TGF‐β/BMP signalling.

Key Concepts

Myhre syndrome is a rare genetic condition of autosomal‐dominant inheritance due to
SMAD4
mutations affecting Arg496 or Ile500 residues.

Myhre syndrome is characterised by short stature, brachydactyly, facial dysmorphism, developmental delay, progressive deafness and a trio of thickened skin, generalised muscle hypertrophy and restricted joint mobility.

Myhre syndrome is associated to a risk of early death due to possibly life‐threatening health conditions (obesity, arterial hypertension, bronchopulmonary insufficiency, laryngotracheal stenosis and pericarditis).

Similar to mothers against decapentaplegic family member 4 (
SMAD4
) encodes the common partner SMAD of the eight‐member family of SMAD proteins.

SMAD4 aggregates into heterotrimer with the receptor‐regulated SMADs (R‐SMADs) once they are activated by phosphorylation by transmembrane serine–threonine receptor kinases in response to stimulation of TGF‐β, activin or BMP receptor pathways.

The
SMAD4
mutations identified in Myhre syndrome are expected to disturb the monoubiquitination of SMAD4 which occurs at Lys519 and also to disturb the function of the SMAD heterotrimer which regulates the expression of target genes.

Germline heterozygous mutations in
SMAD4
are known to cause juvenile polyposis syndrome (JPS) and JPS‐hereditary hemorrhagic telangiectasia.

The
SMAD4
mutations observed in JPS and JPS‐HHT include nonsense, missense, splice‐site changes and deletions, consistent with a loss‐of‐function mechanism.

Increased tumoural risk has not been observed so far in Myhre syndrome.

The development of tissue‐specific mouse models of Smad4 deficiency further highlighted the important role of Smad4 in a wide range of embryonic developmental processes.
Genetics of Aortic Aneurysmal Disease
Authors: Toghill Bradley J , Saratzis Athanasios , Liyanage Lakmini S , Sidloff David , Bown Matthew J
Published: November 2016

Aortic aneurysmal disease may affect the thoracic and abdominal segments, but the pathophysiology and genetic causal background differ significantly. Abdominal aortic aneurysms (AAAs) are multifactorial and polygenic, whereas thoracic aortic aneurysms and dissections (TAAD) are typically familial and/or associated with certain syndromes. Various genomic loci have been linked to both diseases. Syndromic and nonsyndromic TAADs are the result of large‐effect gene mutations in genes controlling extracellular matrix (ECM) structure, transforming growth factor‐beta signalling and vascular cell contraction. AAA predisposition is determined by many small‐effect genomic loci involved in inflammation, lipid metabolism, ECM remodelling and vascular cell apoptosis. Nongenetic risk factors are also very important in AAA pathophysiology. Surgical management/repair is currently the only available treatment to prevent aneurysmal rupture. Functional genetic and epigenetic studies may result in the successful management of patients at risk, or ideally a medical treatment to prevent or cure aneurysmal disease.

Key Concepts

Aortic aneurysmal disease represents a condition that develops at two main regions in the aorta: thoracic aortic aneurysm and abdominal aortic aneurysm (TAA and AAA).

TAA is a risk factor of, and often coexists with, thoracic aortic dissection, which is also a medical emergency and can result in death, usually referred to together as thoracic aortic aneurysm and dissection (TAAD).

There is currently no effective pharmacotherapeutic strategy for either disease, and the only treatment option available is surgical repair to prevent rupture. Emergency repair, once rupture has occurred, is associated with adverse outcomes compared to elective surgery.

The pathophysiology between AAA and TAAD is different due to differences in composition between the two aortic regions, which is reflected in different genetic causal backgrounds.

AAA is more common than TAAD and has a multifactorial and polygenic basis of disease, whereas familial and syndromic TAAD is predominantly genetic.

High‐profile genome‐wide association studies using large sample sizes have discovered several small‐effect genomic risk loci involved in AAA development.

Genetic studies of syndromic and nonsyndromic TAAD, usually in the form of family linkage studies with generally low sample numbers, have yielded several high‐effect gene mutations involved in disease development.

The ongoing study of the functional genetic and epigenetic basis of TAAD and AAA could potentially result in better identification, intervention and clinical outcomes for patients.
Obesity: Its Status as a Disease
Authors: Hofmann Bjørn
Published: November 2016

Is obesity a disease? Yes, World Health Organization (WHO) and other authoritative institutions say so, is the standard answer. However, by investigating these sources and some standard definitions of disease, the answer becomes much less obvious. According to naturalist and hybrid definitions of disease, obesity does not qualify as a disease, but according to several normativist conceptions of disease, it does. This undecidedness gives leeway for a wide range of pragmatic arguments for and against making obesity a disease. Using social conceptions of disease to make obesity a disease calls for careful reflection, as they may be based on contested aesthetic, moral and other social norms. History is full of examples where socially defined diseases later have been heavily criticised. Homosexuality, dissiency, drapetomania and attention deficit hyperactivity disorder (ADHD) are some examples.

Key Concepts

Obesity is defined as an excess of adipose tissue (BMI ≥ 30 kg m
2
).

Disease is defined in many ways, and in general, definitions are classified as naturalist, normativist or hybrid.

A naturalist definition of disease defines disease in terms of characteristics in nature.

A normativist definition of disease defines disease in terms of norms (and values), and as such depends on social conventions.

Hybrid definitions of disease refer both to natural and social phenomena.

Obesity is not a disease according to naturalist conceptions of disease.

Obesity may very well be a disease according to normativist definitions of disease.

Pragmatic arguments for making obesity a disease yet lack convincing evidence.
A randomized controlled trial of a brief versus standard group parenting program for toddler aggression
Authors: Tully Lucy A. , Hunt Caroline
Published: November 2016

Physical aggression (PA) in the toddler years is common and developmentally normal, however, longitudinal research shows that frequent PA is highly stable and associated with long‐term negative outcomes. Significant research has demonstrated the efficacy of parenting interventions for reducing externalizing behavior in children yet their typical length may overburden families, leading to low participation rates and high attrition rates. To increase the reach of parenting interventions and impact on the prevalence of externalizing behavior problems, brief interventions are needed. This RCT compared a standard (8 session) group Triple P to a brief (3 session) discussion group and a waitlist control for reducing toddler PA, dysfunctional parenting and related aspects of parent functioning. Sixty‐nine self‐referred families of toddlers with PA were randomized to the respective conditions. At post‐assessment, families in the standard intervention had significantly lower levels of observed child aversive behavior, mother reports of PA and dysfunctional parenting, and higher levels of mother‐ and partner‐rated behavioral self‐efficacy than the waitlist control. Families in the standard intervention also had significantly lower levels mother‐rated dysfunctional parenting than the brief intervention, and the brief intervention had significantly lower levels of mother‐rated dysfunctional parenting than waitlist. There were no significant group differences at post‐assessment for measures of parental negative affect or satisfaction with the partner relationship. By 6 month follow‐up, families in the brief and standard intervention did not differ significantly on any measure. The implications of the findings to delivery of brief parenting interventions are discussed. Aggr. Behav. 43:291–303, 2017. © 2016 Wiley Periodicals, Inc.
Zuordnung der Rückgrat‐ und Seitenketten‐Protonen in vollständig protonierten Proteinen durch Festkörper‐NMR‐Spektroskopie: Mikrokristalle, Sedimente und Amyloidfibrillen
Authors: Stanek Jan , Andreas Loren B. , Jaudzems Kristaps , Cala Diane , Lalli Daniela , Bertarello Andrea , Schubeis Tobias , Akopjana Inara , Kotelovica Svetlana , Tars Kaspars , Pica Andrea , Leone Serena , Picone Delia , Xu Zhi‐Qiang , Dixon Nicholas E. , Martinez Denis , Berbon Mélanie , Mammeri Nadia El , Noubhani Abdelmajid , Saupe Sven , Habenstein Birgit , Loquet Antoine , Pintacuda Guido
Published: November 2016

Wir beschreiben die empfindliche Messung von α‐Protonen in vollständig protonierten Proteinen durch Festkörper‐NMR‐Spektroskopie mit Rotation um den magischen Winkel (MAS) von 100–111 kHz. Die exzellente Auflösung in der Cα‐Hα‐Ebene wird für fünf Proteine gezeigt, darunter Mikrokristalle, ein sedimentierter Komplex, ein Kapsid und Amyloidfibrillen. Ausgehend davon wurde ein Satz 3D‐Spektren für die sequenzspezifische Zuordnung der Rückgrat‐ und der aliphatischen Seitenketten‐Resonanzen entwickelt. Dabei wurden nur 500 μg Probe verwendet. Diese Entwicklungen beschleunigen strukturelle Untersuchungen von biomolekularen Komplexen, die nur in Submilligramm‐Mengen verfügbar sind, ohne die Notwendigkeit einer Deuterierung.
Insight into the Interfacial Process and Mechanism in Lithium–Sulfur Batteries: An In Situ AFM Study
Authors: Lang Shuang‐Yan , Shi Yang , Guo Yu‐Guo , Wang Dong , Wen Rui , Wan Li‐Jun
Published: November 2016

Lithium–sulfur (Li–S) batteries are highly appealing for large‐scale energy storage. However, performance deterioration issues remain, which are highly related to interfacial properties. Herein, we present a direct visualization of the interfacial structure and dynamics of the Li–S discharge/charge processes at the nanoscale. In situ atomic force microscopy and ex situ spectroscopic methods directly distinguish the morphology and growth processes of insoluble products Li2S2 and Li2S. The monitored interfacial dynamics show that Li2S2 nanoparticle nuclei begin to grow at 2 V followed by a fast deposition of lamellar Li2S at 1.83 V on discharge. Upon charging, only Li2S depletes from the interface, leaving some Li2S2 undissolved, which accumulates during cycling. The galvanostatic precipitation of Li2S2 and/or Li2S is correlated to current rates and affects the specific capacity. These findings reveal a straightforward structure–reactivity correlation and performance fading mechanism in Li–S batteries.
Stacking and Electrostatic Interactions Drive the Stereoselectivity of Silylium‐Ion Asymmetric Counteranion‐Directed Catalysis
Authors: Seguin Trevor J. , Wheeler Steven E.
Published: November 2016

Computational analysis shows that the enantioselectivity of asymmetric Lewis‐acid organocatalysis of the Diels–Alder cycloaddition of cyclopentadiene to cinnamates arises from stacking interactions that favor the addition of the diene to the more hindered face of the dienophile, while electrostatic interactions control the diastereoselectivity by selectively stabilizing the endo transition state. These results not only explain the stereoselectivity of these silylium‐ion‐ACDC reactions but should also guide the development of more effective ion‐pairing asymmetric organocatalysts.
Capturing Excited States in the Fast‐Intermediate Exchange Limit in Biological Systems Using 1H NMR Spectroscopy
Authors: Steiner Emilie , Schlagnitweit Judith , Lundström Patrik , Petzold Katja
Published: November 2016

Changes in molecular structure are essential for the function of biomolecules. Characterization of these structural fluctuations can illuminate alternative states and help in correlating structure to function. NMR relaxation dispersion (RD) is currently the only method for detecting these alternative, high‐energy states. In this study, we present a versatile 1H R1ρ RD experiment that not only extends the exchange timescales at least three times beyond the rate limits of 13C/15N R1ρ and ten times for CPMG experiments, but also makes use of easily accessible probes, thus allowing a general description of biologically important excited states. This technique can be used to extract chemical shifts for the structural characterization of excited states and to elucidate complex excited states.
Ruthenation of Non‐stacked Guanines in DNA G‐Quadruplex Structures: Enhancement of c‐MYC Expression
Authors: Rodríguez Jéssica , Mosquera Jesús , Couceiro José R. , Vázquez M. Eugenio , Mascareñas José L.
Published: November 2016

Guanine quadruplexes (GQs) are compact four‐stranded DNA structures that play a key role in the control of a variety of biological processes, including gene transcription. Bulky ruthenium complexes featuring a bipyridine, a terpyridine, and one exchangeable ligand ([Ru(terpy)(bpy)X]n+) are able to metalate exposed guanines present in the GQ of the c‐MYC promoter region that are not involved in quadruplex base pairing. qRT‐PCR and western‐blot experiments indicated that the complexes promote a remarkable increase in the expression of this oncogene. We also show that exchangeable thioether ligands (X=RSR′, Met) allow regulation of the metalating activity of the complex with visible light.
Assembly of Terpenoid Cores by a Simple, Tunable Strategy
Authors: Lahtigui Ouidad , Emmetiere Fabien , Zhang Wei , Jirmo Liban , Toledo‐Roy Samira , Hershberger John C. , Macho Jocelyn M. , Grenning Alexander J.
Published: November 2016

Oxygenated, polycyclic terpenoid natural products have important biological activities. Although total synthesis of such terpenes is widely studied, synthetic strategies that allow for controlled placement of oxygen atoms and other functionality remains a challenge. Herein, we present a simple, scalable, and tunable synthetic strategy to assemble terpenoid‐like polycycloalkanes from cycloalkanones, malononitrile, and allylic electrophiles, abundantly available reagent classes.
Long Distance Measurements up to 160 Å in the GroEL Tetradecamer Using Q‐Band DEER EPR Spectroscopy
Authors: Schmidt Thomas , Wälti Marielle A. , Baber James L. , Hustedt Eric J. , Clore G. Marius
Published: November 2016

Current distance measurements between spin‐labels on multimeric protonated proteins using double electron–electron resonance (DEER) EPR spectroscopy are generally limited to the 15–60 Å range. Here we show how DEER experiments can be extended to dipolar evolution times of ca. 80 μs, permitting distances up to 170 Å to be accessed in multimeric proteins. The method relies on sparse spin‐labeling, supplemented by deuteration of protein and solvent, to minimize the deleterious impact of multispin effects and substantially increase the apparent spin‐label phase memory relaxation time, complemented by high sensitivity afforded by measurements at Q‐band. We demonstrate the approach using the tetradecameric molecular machine GroEL as an example. Two engineered surface‐exposed mutants, R268C and E315C, are used to measure pairwise distance distributions with mean values ranging from 20 to 100 Å and from 30 to 160 Å, respectively, both within and between the two heptameric rings of GroEL. The measured distance distributions are consistent with the known crystal structure of apo GroEL. The methodology presented here should significantly expand the use of DEER for the structural characterization of conformational changes in higher order oligomers.
Ionized calcium‐binding adaptor molecule 1 positive macrophages and HO‐1 up‐regulation in intestinal muscularis resident macrophages
Authors: Mikkelsen Hanne B. , Huizinga Jan D. , Larsen Jytte O. , Kirkeby Svend
Published: November 2016

Small intestinal muscularis externa macrophages have been associated with interstitial cells of Cajal. They have been proposed to play various roles in motility disorders and to take part in a microbiota‐driven regulation of gastrointestinal motility. Our objective was to understand the reaction of resident macrophages of the musculature to a pro‐inflammatory stimulator, lipopolysaccharide (LPS). Mice were injected with LPS or saline and sacrificed after 6 hr. Whole mounts were stained with antibodies toward CD169, ionized calcium‐binding adaptor molecule 1 (iba1) (microglial/macrophage marker) and heme oxygenase‐1 (HO‐1). Cell densities were measured using unbiased stereology. Results: iba1pos cells showed an overall higher density than CD169pos and HO‐1pos cells. Most HO‐1pos and iba1pos cells were positive for CD 169 in serosa and at Auerbach's plexus (AP). At the deep muscular plexus, mainly iba1pos cells were present, and were mostly CD169neg; a few HO‐1pos cells were present. Conclusions: A new subset of resident macrophages in the intestinal muscularis externa was discovered, identified as iba1pos CD169neg. HO‐1 is constitutively present in most macrophages in serosa and at AP, suggesting a M2 phenotype. LPS‐treatment results in an up‐regulation of HO‐1pos/CD169neg cells in serosa and at AP. Anat Rec, 300:1114–1122, 2017. © 2016 The Authors. The Anatomical Record published by Wiley Periodicals, Inc. on behalf of American Association of Anatomists
Excited State Intramolecular Proton Transfer in Ethynyl‐Extended Regioisomers of 2‐(2′‐Hydroxyphenyl)benzothiazole: Effects of the Position and Electronic Nature of Substituent Groups
Authors: Wang Qin , Xu Longfei , Niu Yahui , Wang Yuxiu , Yuan Mao‐Sen , Zhang Yanrong
Published: November 2016

Although the organic dyes based on excited state intramolecular proton transfer (ESIPT) mechanism have attracted significant attention, the structure‐property relationship of ESIPT dyes needs to be further exploited. In this paper, three series of ethynyl‐extended regioisomers of 2‐(2′‐hydroxyphenyl)benzothiazole (HBT), at the 3′‐, 4′‐ and 6‐positions, respectively, have been synthesized. Changes in the absorption and emission spectra were correlated with the position and electronic nature of the substituent groups. Although 4′‐ and 6‐substituted HBT derivatives exhibited absorption bands at longer wavelengths, the keto‐emission of 3′‐substituted HBT derivatives was found at a substantially longer wavelength. The gradual red‐shifted fluorescence emission was found for 3′‐substituted HBT derivatives where the electron‐donating nature of substituent group increased, which was opposite to what was observed for 4′‐ and 6‐substituted HBT derivatives. The results derived from the theoretical calculations were in conformity with the experimental observations. Our study could potentially provide experimental and theoretical basis for designing novel ESIPT dyes that possess unique fluorescent properties.
Classroom disciplinary climate in secondary schools in England: What is the real picture?
Authors: Jenkins Andrew , Ueno Akiko
Published: November 2016

This paper uses international data from a range of sources, principally the 2013 round of the Teaching and Learning International Survey (TALIS 2013), to provide new information on classroom disciplinary climate in secondary schools in England. The paper advances the literature in three distinct ways. Firstly, the data show that teachers in England perceive that there is considerable disruption in their classrooms. While some reports, especially from official sources, have suggested that classroom disruption is minimal in schools in England that does not seem plausible given these results from TALIS. Secondly, since TALIS contains comparable data for over 30 countries, the results for England can be set in a wider context. Reports in the media frequently highlight pupil disruption and suggest that classroom climate tends to be worse in England than in many other countries. In fact what emerges from the international comparison is that, on each of the items measuring classroom climate in TALIS 2013, the results for England were somewhat better than both the all‐country average and the average for a group of European comparators. Thirdly, the survey also includes a range of information about the school in which the teacher worked, the pupils which they taught, and the teachers themselves. We draw on this data to investigate which school‐level characteristics, teacher attributes, and characteristics of pupils in the classroom, were associated with favourable classroom climate in England. While some commentators have focused exclusively on school‐level factors, we emphasise the importance of within‐school variation.
Flow‐cytometric screening of aggregation‐inhibitors using a fluorescence‐assisted intracellular method
Authors: Lindberg Hanna , Sandersjöö Lisa , Meister Sebastian W. , Uhlén Mathias , Löfblom John , Ståhl Stefan
Published: November 2016

Aggregation of misfolded peptides and proteins is a key event in several neurodegenerative diseases. Suggested treatments of such disorders aim to inhibit the initial aggregation process. Here, we have developed an intracellular, function‐based screening method, intended for isolation of aggregation‐inhibitors from combinatorial protein libraries by flow‐cytometric cell sorting. The method is based on fusion of aggregation‐prone peptides to a fluorescent protein, functioning as a solubility reporter. Co‐expression of a protein‐based aggregation‐inhibitor should prevent aggregation and thus increase the whole‐cell fluorescence. We evaluated the method using the aggregation‐prone Alzheimer's‐related amyloid‐β (Aβ) peptide in fusion to green‐fluorescent protein (GFP), and an Aβ aggregation‐inhibiting Affibody molecule. To adapt the method for library applications, the inhibitor was linked to an mCherry reporter for normalization of protein expression levels. We found that aggregation propensity correlates with fluorescence intensity, as co‐expression of the Affibody‐inhibitor increased the whole‐cell fluorescence relative to a non‐inhibitor. Employing improved cultivation parameters, we furthermore demonstrated efficient rescue from aggregation of an α‐synuclein‐derived protein using a different type of aggregation‐inhibitor. Importantly, we also showed that the Aβ aggregation‐inhibiting Affibody molecule could be isolated from a 1:10,000 background of non‐inhibitors, with around 3,500‐fold enrichment, in one cycle of fluorescence‐based cell sorting. In conclusion, our new method represents a promising approach for generation of novel protein‐based aggregation‐inhibitors.
Metabolic characterization of the early stage of hepatic fibrosis in rat using GC‐TOF/MS and multivariate data analyses
Authors: Jiang Hui , Song Jun‐mei , Gao Peng‐fei , Qin Xiu‐juan , Xu Shuang‐zhi , Zhang Jia‐fu
Published: November 2016

The aim of this study was to explore the changes in the urine metabolic spectrum in rats with the early stage of liver fibrosis using gas chromatography–time of flight/mass spectrometry (GC‐TOF/MS), try to search for potential biomarkers and elucidate the probably metabonomic pathogenesis. The early stage of liver fibrosis was established with a single subcutaneous injection of carbon tetrachloride twice each week for 4 weeks continuously. At the end of the experiment, GC‐TOF/MS technology with multivariate statistical approaches such as principal component analysis, partial least squares‐discriminant analysis and orthogonal partial least squares‐discriminant analysis was used to analyze the changes in the metabolic spectrum trajectory and identify potential biomarkers. Twelve potential biomarkers in the model group, such as succinic acid, threonine and lactose, were selected, which indicate that the metabonomic pathogenesis of the early stage of liver fibrosis may be related to disorders of energy metabolism, amino acid metabolism and fatty acid metabolism.
Using virtual laboratories in teaching natural sciences: An example of physics courses in university
Authors: Daineko Yevgeniya , Dmitriyev Viktor , Ipalakova Madina
Published: November 2016

Thinking outside of the box is an important part of education. However, using innovative teaching methods in education can be very challenging for educators. They are directly involved into a teaching process and upcoming changes should be well planned and the impact of the introduced innovations/changes should be estimated in advance. Innovations can be also challenging for a management part of a particular higher education institution, whose major goal is to organize a smooth learning process. Current work presents software empowered innovation in the domain of teaching physics at universities. Authors demonstrate how particular software artefacts could be possible integrated into existing curriculum in order to help students at universities in mastering particular natural science subject (e.g., “Physics‐1,” “Physics‐2”). Software is based on the ideas of virtual laboratories, whether implementation is based on Microsoft. NET XNA Framework and 3D modeling. Paper shows that the introduction of modern information and computer technologies along with the traditional forms of education are significantly enhancing teaching experience and improving education quality. © 2016 Wiley Periodicals, Inc. Comput Appl Eng Educ 25:39–47, 2017; View this article online at wileyonlinelibrary.com/journal/cae; DOI 10.1002/cae.21777
Follistatin‐like protein 1 contributes to dendritic cell and T‐lymphocyte activation in nasopharyngeal carcinoma patients by altering nuclear factor κb and Jun N‐terminal kinase expression
Authors: Wang Hong , Wu Senyong , Huang Shiping , Yin Shaolin , Zou Guilong , Huang Kuan'en , Zhang Zhe , Tang Anzhou , Wen Wensheng
Published: November 2016

Follistatin‐like protein 1 (FSTL1) is a newly characterized protein that can regulate the immune response in various ways. Dendritic cells (DCs) are central to immune regulation. In this study, we explored the impact of FSTL1 on DC activity in nasopharyngeal carcinoma (NPC) patients. The surface expression of CD40, CD86, and HLA‐DR on DCs was analyzed and showed significantly elevated expression levels, indicating DC maturity. After FSTL1 was added to DCs collected from NPC patients (n = 50), controls (n = 47), and healthy donors (n = 10), interferon γ secretion and T‐cell receptor expression in cytotoxic T lymphocytes were also investigated. In the experimental groups, the expression of the critical immune protein nuclear factor (NF)‐κb was upregulated, whereas Jun N‐terminal kinase (JNK) was downregulated. Our findings demonstrate that FSTL1 plays a critical role in immune regulation, enhancing the antigen presentation ability of DCs by up‐regulating NF‐κb expression and down‐regulating JNK expression.
Renal sympathetic denervation: Recalculating…
Authors: Belardi Jorge A. , Albertal Mariano
Published: November 2016

Key Points

Renal sympathetic denervation may serve as a treatment alternative in patients with resistant systemic arterial hypertension.

Ablation at the proximal and distal renal artery branches with an irrigated catheter did not lead to better blood pressure reduction than proximal ablation alone.

Pitfalls in study design prevent from drawing definite conclusions in the present randomized study.

Careful design of randomized trials is essential to delineate the role of RD with saline‐irrigation catheters.
Covalent Functionalization of Nanosheets of MoS2 and MoSe2 by Substituted Benzenes and Other Organic Molecules
Authors: Vishnoi Pratap , Sampath Archana , Waghmare Umesh V. , Rao C. N. R.
Published: November 2016

Covalent functionalization has been effectively employed to attach benzene functionalities to MoS2 and MoSe2 nanosheets by the reaction with para‐substituted iodobenzenes bearing −OCH3, −H, and −NO2 as the substituents, where the electron‐donating and electron‐withdrawing power of the para substituent varies significantly. The functionalization is based on the formation of a C−S or C−Se linkage at the expense of the C−I bond on reaction of the iodobenzene with electron‐rich 1T‐MoS2 or 1T‐MoSe2. The degree of functionalization is in the range 4–24 % range, the value increases with the electron‐withdrawing power of the para substituent. Semiconducting 2H‐MoS2 and 2H‐MoSe2 nanosheets can also be functionalized with iodobenzene by carrying out the reaction in the presence of a Pd0 catalyst. We have also carried out functionalization of 1T‐MoS2 with pyrene, coumarin, and porphyrin derivatives. By using first‐principles density functional calculations, we show that the bonding of the functional groups with the 1T phase is stronger than with the 2H phase. This is reflected in notable changes in the electronic structure of the former upon functionalization; a gap opens up in the electronic spectrum of the 1T phase. Functionalization with para‐substituted benzenes leads to a change in the work function.
Triethynylmethanol Derivatives: Stable Acetylenic Building Blocks for Surface Chemistry
Authors: Prenzel Dominik , Sander Tim , Gebhardt Julian , Soni Himadri , Hampel Frank , Görling Andreas , Maier Sabine , Tykwinski Rik R.
Published: November 2016

The synthesis of non‐conjugated, carbon‐rich building blocks is described, based on a basic scaffold of triethynylmethanol (TEtM). The substitution of the ethynyl groups can be easily varied (including R3Si, H, Br), and this allows structural tuning for stabilization, synthetic derivatization, and adsorption on Ag(111) or Au(111). X‐ray crystallography helps to explain the surprising stability of the selected derivatives in the solid state, and an unusual form of hydrogen bonding is identified from these analyses. Preliminary efforts to achieve surface‐based reactions on Ag(111) and Au(111) are outlined experimentally and computationally.
Catalytic Strategies for Diastereodivergent Synthesis
Authors: Lin Lili , Feng Xiaoming
Published: November 2016

Chiral molecules with multiple stereocenters are widely distributed in nature and drugs. Asymmeric catalysis has allowed the formation of a chiral molecule's enantiomers with equal ease by applying the enantiomeric pair of a chiral catalyst. However, the diastereodivergent synthesis is a great challenge because the formation of one of the diastereomers is inherently preferred in most reactions. Under the efforts of chemists, elegant strategies have been developed to full control of absolute and relative stereochemical configurations. In this Minireview, we highlight the significant advances achieved in this field, and present the diastereo‐control mechanism in the appropriate place on the expectation that new diastereodivergent strategies can be inspired and more types of enantioselective diastereodivergent reactions can be realized.
Copper‐Mediated Selective Hydroxylation of a Non‐activated C−H Bond in Steroids: A DFT Study of Schönecker's Reaction
Authors: Gupta Puneet , Diefenbach Martin , Holthausen Max C. , Förster Moritz
Published: November 2016

The regio‐ and stereoselective copper‐mediated hydroxylation of a non‐activated aliphatic C−H bond in steroids by dioxygen, initially reported by Schönecker et al. (Angew. Chem. Int. Ed. 2003, 42, 3240–3244), has recently evolved into a valuable synthetic tool. In the present work, a detailed mechanistic density functional theory (DFT) study addressing the origin of the remarkable selectivity of Schönecker's reaction is reported. The applied BLYP‐D3/def2‐TZVP(SDD) level of DFT is benchmarked against experimental and coupled‐cluster reference data. The resulting mechanistic scenario involves formation of a bis‐μ‐oxo dicopper complex as key intermediate. In this complex three C−H bonds of the pendant steroid ligand are predisposed towards intramolecular activation by the bis‐μ‐oxo dicopper core. The lowest activation barrier (12.0 kcal mol−1) is computed for β‐hydroxylation at the C12 position, in agreement with the experimental observations. Natural bond orbital (NBO) analysis reveals stabilizing orbital interactions that favor the β‐hydroxylation pathway over competing reaction channels.
OFF‐ON‐OFF Red‐Emitting Fluorescent Indicators for a Narrow pH Window
Authors: Cidlina Antonin , Miletin Miroslav , Fathi‐Rasekh Mahtab , Nemykin Victor N. , Zimcik Petr , Novakova Veronika
Published: November 2016

A unique combination of two independent mechanisms of fluorescence quenching, namely intramolecular charge transfer (ICT) from a peripheral donor and protonation of azomethine nitrogen atoms in zinc tetrapyrazinoporphyrazines (TPyzPz), provides a new possibility for sensing pH in a specific range. The pH selectivity was controlled by the different basicities of the donor for ICT (dimethylaminoaryl), which was connected to the macrocycle by π‐extended linkers of different lengths. ICT and protonation have been studied in detail by photophysical, spectral (UV/Vis and MCD spectra), and electrochemical measurements, and further supported by theoretical calculations (DFT, TDDFT). The pH‐sensing properties of the TPyzPzs have been investigated in THF and in water after anchoring the TPyzPzs to liposomes. The salient pKa values were around 1.3 (azomethine nitrogen) and 2.29–4.76 (donor for ICT). The lead indicators (sensing over a pH range of 1.0–2.5) with fairly steep sensing profiles exhibited increases in fluorescence between the OFF/ON states of more than 20‐fold and strong absorption in the red region (Q‐band maximum >650 nm, ϵ≈2×106 m−1 cm−1).
A 1D Coordination Polymer of UF5 with HCN as a Ligand
Authors: Scheibe Benjamin , Rudel Stefan S. , Buchner Magnus R. , Karttunen Antti J. , Kraus Florian
Published: November 2016

β‐Uranium(V) fluoride was reacted with liquid anhydrous hydrogen cyanide to obtain a 1D coordination polymer with the composition
[UF5(HCN)2],
[UF4/1F2/2‐ (HCN)2/1], revealed by single‐crystal X‐ray structure determination. The reaction system was furthermore studied by means of vibrational and NMR spectroscopy, as well as by quantum chemical calculations. The compound presents the first described polymeric HCN Lewis adduct and the first HCN adduct of a uranium fluoride.
ChemInform Abstract: BiFSeO3: An Excellent SHG Material Designed by Aliovalent Substitution.
Authors: Liang Ming‐Li , Hu Chun‐Li , Kong Fang , Mao Jiang‐Gao
Published: November 2016

Single crystals of the title compound are prepared by hydrothermal reaction of a 1:5 molar mixture of Bi2O3 and SeO2 in 40% aq.
ChemInform Abstract: Titanium‐Substituted Polyoxotantalate Clusters Exhibiting Wide pH Stabilities: [Ti2Ta8O28]8‐ and [Ti12Ta6O44]10‐.
Authors: Son Jung‐Ho , Casey William H.
Published: November 2016

(Me4N)8 [Ti2Ta8O28]·21H2O (I) and (Me4N)10 [Ti12Ta6O44]·39H2O (II) are prepared in 53% and 17% yield, resp., by hydrothermal reaction of aqueous solutions of Me4NOH, Ti(iPrO)4, and Ta2O5·xH2O (140 resp.
ChemInform Abstract: An Organocatalytic Cope Rearrangement.
Authors: Kaldre Dainis , Gleason James L.
Published: November 2016

The first example of an organocatalytic Cope rearrangement is reported.
ChemInform Abstract: Directed Alkynylation of Unactivated C(sp3)—H Bonds with Ethynylbenziodoxolones Mediated by DTBP.
Authors: Cheng Zhi‐Fei , Feng Yi‐Si , Rong Chun , Xu Tao , Wang Peng‐Fei , Xu Jun , Dai Jian‐Jun , Xu Hua‐Jian
Published: November 2016

The method is general and efficient for the synthesis of alkyl‐substituted alkynes under mild reaction conditions without any metal catalyst.
ChemInform Abstract: Coumarin Based Novel Ligands in the Suzuki—Miyaura and Mizoroki—Heck Cross‐Couplings under Aqueous Medium.
Authors: Waheed Mohammed , Ahmed Naseem
Published: November 2016

Novel coumarin‐based ionic ligands are synthesized from 4‐hydroxycoumarin, aromatic aldehydes, and diethylamine.
ChemInform Abstract: Potent Triazine‐Based Dehydrocondensing Reagents Substituted by an Amido Group.
Authors: Kunishima Munetaka , Kato Daiki , Kimura Nobu , Kitamura Masanori , Yamada Kohei , Hioki Kazuhito
Published: November 2016

Four title reagents are synthesized, e.
ChemInform Abstract: Iron‐Catalyzed Trifluoromethylation of Vinylcyclopropanes: Facile Synthesis of CF3—Containing Dihydronaphthalene Derivatives.
Authors: Li Zong‐Rui , Bao Xing‐Xing , Sun Jian , Shen Jing , Wu Dun‐Qi , Liu Yan‐Kai , Deng Qing‐Hai , Liu Feng
Published: November 2016

In an initial step, a catalytically generated CF3 radical reacts with the vinylcyclopropane which undergoes a ring‐opening followed by a so far incompletely understood intramolecular cyclization process leading to dihydronaphthalene derivatives.
ChemInform Abstract: Tritylation of Alcohols under Mild Conditions Without Using Silver Salts.
Authors: Shahsavari Shahien , Chen Jinsen , Wigstrom Travis , Gooding James , Gauronskas Alexander , Fang Shiyue
Published: November 2016

The most significant advantage of this tritylation method is the capability to tritylate secondary alcohols under mild conditions without using expensive silver salts.
ChemInform Abstract: Advances and Mechanistic Insight on the Catalytic Mitsunobu Reaction Using Recyclable Azo Reagents.
Authors: Hirose Daisuke , Gazvoda Martin , Kosmrlj Janez , Taniguchi Tsuyoshi
Published: November 2016

Ethyl 2‐arylazocarboxylates are described as useful Mitsunobu reagents applied in catalytic amounts only.
ChemInform Abstract: One‐Pot C—H Functionalization of Arenes by Diaryliodonium Salts.
Authors: Reitti Marcus , Villo Piret , Olofsson Berit
Published: November 2016

A transition metal‐free preparation of nitroarenes from diaryliodonium salts is elaborated.
ChemInform Abstract: A Mild Strategy for the Preparation of Phenols via the Ligand‐Free Copper‐Catalyzed O‐Arylation of para‐Toluenesulfonic Acid.
Authors: Tan Bryn Yong‐Hao , Teo Yong‐Chua
Published: November 2016

The one‐pot O‐arylation of TosOH with aryl iodides (I) and subsequent basic hydrolysis of intermediate sulfonates gives rise to the desired phenols (II).
ChemInform Abstract: Indium‐Mediated Blaise‐Type Reaction of Bromomalonates with Nitriles and Isocyanates.
Authors: Babaoglu Emre , Harms Klaus , Hilt Gerhard
Published: November 2016

The In‐mediated reaction of bromomalonate (I) with nitriles (II) gives rise to β‐amino diesters (III), whilst the reaction with isocyanates (IV) affords carbamoyl malonates (V).
ChemInform Abstract: Copper‐Catalyzed Reductive N‐Alkylation of Amides with N‐Tosylhydrazones Derived from Ketones.
Authors: Xu Peng , Qi Fu‐Ling , Han Fu‐She , Wang Yan‐Hua
Published: November 2016

The optimized conditions render possible an access to a broad spectrum of the desired amide components.
ChemInform Abstract: A General Iodine‐Mediated Synthesis of Primary Sulfonamides from Thiols and Aqueous Ammonia.
Authors: Feng Jian‐Bo , Wu Xiao‐Feng
Published: November 2016

An oxidative amination of sulfides by aqueous ammonia affords primary sulfonamides in moderate to good yields.
ChemInform Abstract: Synthesis of Sulfonamides via Copper‐Catalyzed Oxidative C—N Bond Cleavage of Tertiary Amines.
Authors: Ji Jing , Liu Zhengyi , Liu Ping , Sun Peipei
Published: November 2016

A coupling reaction of sulfonyl chlorides with tertiary amines affords N,N‐disubstituted sulfonamides in moderate to good yields.
ChemInform Abstract: A General Route to Sulfones via Insertion of Sulfur Dioxide Promoted by Cobalt Oxide.
Authors: Zheng Danqing , Chen Mo , Yao Liangqing , Wu Jie
Published: November 2016

A facile route to sulfones via a cobalt(II) oxide‐promoted three‐component reaction of triethoxysilanes, sulfur dioxide, and different kinds of electrophiles is developed.
ChemInform Abstract: A General, Highly Enantioselective Michael Addition of Nitroalkanes to α,β‐Unsaturated Enones Catalyzed by 9‐Amino(9‐deoxy)‐epi‐quinine: A Remarkable Additive Effect.
Authors: Liu Siyang , Wang Qingqing , Ye Ling , Shi Zhichuan , Zhao Zhigang , Yang Xuejun , Ding Keyi , Li Xuefeng
Published: November 2016

The protocol allows for the transformation of a broad range of enones, such as cinnamone derivatives, cyclic enones and chalcones including heterocyclic derivatives.
ChemInform Abstract: Copper‐Catalyzed Formal [2 + 2 + 1] Heteroannulation of Alkenes, Alkylnitriles, and Water: Method Development and Application to a Total Synthesis of (.+‐.)‐Sacidumlignan D.
Authors: Ha Tu M. , Chatalova‐Sazepin Claire , Wang Qian , Zhu Jieping
Published: November 2016

The utility of this method is demonstrated in the synthesis of rac‐sacidumlignan D (XIX).
ChemInform Abstract: A Convenient Synthesis of Some New 1,3,4‐Thiadiazoles, Thiazoles, Pyrazolo[1,5‐a]pyrimidines, Pyrazolo[5,1‐c]triazine, and Thieno[3,2‐d]pyrimidines Containing 5‐Bromobenzofuran Moiety.
Authors: Abdelhamid Abdou O. , Fahmi Abdelgawad A. , Baaiu Basma S.
Published: November 2016

The title compounds are prepared from brominated benzofuran (I) using standard procedures.
ChemInform Abstract: Fe3O4 Nanoparticles as an Efficient and Reusable Catalyst for the Solvent‐Free Synthesis of 1H‐Indole and 1H‐Pyrrole Derivatives.
Authors: Babaei Seyyed Ebrahim , Hossaini Zinatossadat , Besheli Reza Ramezani , Tavakkoli Vahid
Published: November 2016

Advantages of the employed method are clean reaction with high yields in short reaction time and easy purification.
ChemInform Abstract: Palladium‐Catalyzed Oxidative Cyclization for the Synthesis of Indolyl/Pyrrolyl 3‐Phosphonates.
Authors: Mishra Aniket , Deb Indubhusan
Published: November 2016

Mixtures of imino‐/enaminophosphonates are subjected to oxidative cyclization conditions under PdCl2 catalysis to afford highly functionalized indole or pyrrole cores.
ChemInform Abstract: Domino Reactions of Cyclic Enaminones Leading to Selective Synthesis of Pentacyclic Indoles and Its Functionalization.
Authors: Fan Wei , Li Yan‐Rong , Li Qun , Jiang Bo , Li Guigen
Published: November 2016

Multicomponent, one‐pot cyclization reactions of 3‐aminocyclohex‐2‐enones with acenaphthoquinone in anhydride solution provide pentacyclic indoles under mild conditions with short reaction times.
ChemInform Abstract: Basic Ionic Liquid as Catalyst and Reaction Media for the One‐Pot Three‐Component Regioselective Synthesis of Various Thiazol‐2‐imine Derivatives.
Authors: Shiran Jafar Abbasi , Yahyazadeh Asieh , Yamin Bohari M. , Mamaghani Manouchehr , Albadi Jalal
Published: November 2016

The catalyst‐free condensation reaction between alkylisothiocyanates, α‐haloketones and aryl amines delivers the products in often very high yields.
ChemInform Abstract: Metal‐Free Route for the Synthesis of 4‐Acyl‐1,2,3‐triazoles from Readily Available Building Blocks.
Authors: Thomas Joice , Goyvaerts Vince , Liekens Sandra , Dehaen Wim
Published: November 2016

Starting from a variety of compounds having activated methyl groups, such as ketones, a straightforward method for the synthesis of 1,4‐disubstituted 1,2,3‐triazoles is developed.