bluuebunny/crossref_metadata_2025_split huggingface dataset:
Developing Ligands to Target Transition Metals in Cancer
Authors: Utterback Rachel D. , Tomat Elisa 
Published: June 2019

AbstractTransition metals are essential for the function for numerous metalloproteins and cofactors in living systems. Their acquisition, transport, and storage are tightly regulated and the homeostasis of redox‐active cations such as iron and copper is especially critical to prevent the damaging effects of oxidative stress. Indeed the dyshomeostasis of metals has been observed in the pathophysiology of several diseases, and multiple metal‐binding compounds are currently under investigation as therapeutic candidates. Herein, we focus on the altered metal metabolisms of malignant cells and on metal‐binding strategies for the design of cancer chemotherapeutics. Iron, copper, and zinc chelators with a variety of binding motifs have been studied for their antiproliferative effects in malignant cells, and several compounds have reached clinical trials. Recent pro‐chelation approaches, in which the chelator is activated under specific conditions, are poised to increase therapeutic indexes and avoid unwanted side effects. As additional information emerges on the roles of metals in cancer biology, the design of metal‐binding drug candidates is evolving to improve their selectivity and efficacy and to consider their effects on the immune cells present in the tumor microenvironment. In addition, extensive studies to develop inhibitors of metalloenzymes relevant to cancer growth have led to several new anticancer therapeutics that coordinate the zinc centers in the active site of the enzymes. As illustrated by the examples collected herein, approaches that target either labile or protein‐bound transition metals have significant potential to produce new therapeutic options for cancer treatment.
Alkene‐Cleaving Carotenoid Cleavage Dioxygenases
Authors: Kiser Philip D 
Published: June 2019

AbstractCarotenoid cleavage dioxygenases (CCDs) constitute a family of enzymes that catalyze reactions of carotenoids, stilbenoids, and closely related compounds with dioxygen to achieve regioselective oxidative splitting of their alkene bonds into carbonyl‐containing products. This activity is enabled by a nonheme iron cofactor found in all such enzymes that facilitates activation of dioxygen for the reaction. These enzymes coordinate iron using four primary sphere His residues and an associated set of three outer sphere Glu residues. In their resting states, the iron centers of these enzymes are in a high‐spin (S= 2) FeIIelectronic configuration and contain a bound solvent molecule making them five coordinate with a distorted square pyramidal geometry. The CCD iron center is reactive toward nitric oxide in the presence or absence of organic substrate and the resultingS= 3/2 {FeNO}7complex, which mimics in some respects an iron‐oxy adduct, has been used to study substrate binding to the CCD active site. Crystallographic studies using cobalt‐substituted CCDs have enabled structures of these enzymes in complex with stilbenoid substrates to be determined revealing the positioning of the scissile alkene bond with respect to the metal center. CCDs adopt a seven‐bladed β‐propeller fold with iron coordinated on the top end of the propeller axis where it is covered by an α‐helical dome that constitutes a bulk of the active site structure. While the modes of iron coordination and overall structure of carotenoid‐ and stilbenoid‐cleaving CCDs are similar, these enzymes are divergent with respect to the structure of their substrate‐binding clefts and membrane‐binding characteristics. CCDs are broadly distributed in nature and play important roles in diverse and numerous biologic processes ranging from production of retinal chromophores for light detection to degradation of lignin‐derived stilbenes in pulping‐waste sludge.
Career readiness: Finding a place for health and safety education
Authors: Parker David L. , DeRung Dale 
Published: June 2019

AbstractBackgroundStudies have identified gaps in health and safety knowledge and work practices of vocational students in the United States and abroad. Little is known about what, how, when, or if health and safety are taught and if the teaching that takes place is effective. Faculty skilled in their technical area may lack knowledge related to health and safety and pedagogy. This knowledge gap is compounded by a deficiency or absence of high‐quality safety and health resources for vocational and technical college faculty, the use of outdated and often inaccurate information, and lack of any standardized assessment of knowledge and skills.MethodsTo identify these knowledge gaps, we conducted group interviews with auto body collision technology and machine tool technology faculty at two colleges.ResultsMost instructors reported a rapid transition from technical trade worker or business owner into their faculty role, with little support or education related to teaching. No instructor used a defined health and safety curriculum and materials or could describe the breadth safety skills required for their profession. Instructors tested and evaluated health‐ and safety‐related skills on an ad hoc basis and said that workers and employers were ultimately responsible for job health and safety.ConclusionsStandardized health and safety training is needed nationally and should be progressive and integrated with career‐specific educational programs. It should ensure that students obtain knowledge and understanding of how to apply the principles of safety and health and communicate with employers about health‐ and safety‐related issues.
Capture ofAlouatta guariba clamitansfor the surveillance of sylvatic yellow fever and zoonotic malaria: Which is the best strategy in the tropical Atlantic Forest?
Authors: de Abreu Filipe Vieira Santos , dos Santos Edmilson , Gomes Marcelo Quintela , Vargas Waldemir Paixão , de Oliveira Passos Pedro Henrique , Nunes e Silva Charles , Araújo Pollyanna Cardoso , Pires Jeferson Rocha , Romano Alessandro Pecego Martins , Teixeira Danilo Simonini , Lourenço‐de‐Oliveira Ricardo 
Published: June 2019

AbstractHowler monkey capture is an arduous and expensive task requiring trained and specialized professionals. We compared strategies and methods to most efficiently captureAlouatta guariba clamitansin remnants of the Atlantic Forest in Rio de Janeiro and its bordering states of Minas Gerais and São Paulo. We tested whether or not the success of expeditions in the forest with anesthetic darts, nets, and baited traps differed with and without the support of an information network, a contact chain built with key institutions and inhabitants to continuously monitor howler monkey presence. The influence of forest conditions (vegetation type and fragment size) upon darting success was also evaluated. We captured 24 free‐livingA. guariba clamitans. No howler monkey was caught with traps, probably due to the predominantly folivore feeding to high local plant diversity providing a great variety of food options. Captures based on an information network were significantly more efficient in terms of numbers of caught monkeys than without it. Captures with darts were considerably more efficient when performed in semideciduous forests and small forest fragments as opposed to ombrophilous forests or large woods. Although we walked great distances within the forest searching for howler monkeys, all but one animal were captured at the forest fringes. Hindrances to search and the darting method in the Atlantic Forest, for example, the steep terrain, high tree canopies, hunt pressure, and lowA. guariba clamitanspopulation density, were mitigated with the use of the information network in this monkey capture. Moreover, the information network enhanced the surveillance of zoonotic diseases, which howler monkeys and other nonhuman primates are reservoirs in Brazil, such as malaria and yellow fever.
Arylation of Axially Chiral Phosphorothioate Salts by Dinuclear PdI Catalysis
Authors: Chen Xiang‐Yu , Pu Maoping , Cheng Hong‐Gang , Sperger Theresa , Schoenebeck Franziska 
Published: June 2019

AbstractS‐aryl phosphorothioates are privileged motifs in pharmaceuticals, agrochemicals, and catalysts; yet, the challenge of devising a straightforward synthetic route to enantioenriched S‐aryl phosphorothioates has remained unsolved to date. We demonstrate herein the first direct C−SP(=O)(OR′)(OR′′) coupling of diverse and chiral phosphorothioate salts with aryl iodides, enabled by an air‐ and moisture‐stable PdI dimer. Our mechanistic and computational data suggest distinct dinuclear PdI catalysis to be operative, which allows for operationally simple couplings with broad scope and full retention of stereochemistry.
Supramolekulare Chemie von gespannten Kohlenstoffnanoreifen
Authors: Xu Youzhi , von Delius Max 
Published: June 2019

AbstractSeit 1996 ist eine stetig wachsende Anzahl von hoch gespannten Makrozyklen präparativ zugänglich geworden, die lediglich sp2‐ oder sp‐hybridisierte Kohlenstoffatome im Ring enthalten, wobei [n]Cycloparaphenylenacetylene (CPPAs) und [n]Cycloparaphenylene (CPPs) die wichtigsten Beispiele dieser Klasse darstellen. Nachdem nun robuste und relativ allgemeine Synthesewege zu einer Vielzahl von Nanoreifen‐Strukturen zur Verfügung stehen, beginnt sich der Forschungsschwerpunkt auf die Erforschung ihrer Eigenschaften und Anwendungen zu verlagern. Aus Sicht der supramolekularen Chemie bieten diese Makrozyklen wegen ihrer nahezu perfekten Kreisform, der ungewöhnlich hohen Formstabilität und der Gegenwart von konvexen und konkaven π‐Flächen einzigartige Möglichkeiten. In diesem Kurzaufsatz besprechen wir den Einsatz von gespannten kohlenstoffreichen Nanoreifen in der Wirt‐Gast‐Chemie, der Herstellung von mechanisch verzahnten Architekturen und dem definierten Kristalldesign.
Water‐Stable Coordination Polymers as Dual Fluorescent Sensors for Highly Oxidizing Anions Cr2O72− and MnO4−
Authors: Zhang Xiu‐Du , Zhao Yue , Chen Kai , Jiang Yu‐Fei , Sun Wei‐Yin 
Published: June 2019

AbstractDue to their striking optical properties, luminescent coordination polymers as sensors for the detection of hazardous species have drawn interest of researchers in consideration of the control of environmental pollution. In this work, the organic ligand 2‐(4‐((E)‐2‐(pyridine‐2‐yl)vinyl)styryl)pyridine (2‐bpeb), which possesses a large π‐conjugated system, was employed to react with d10 metal ions to obtain novel luminescent coordination polymers. Three complexes [Cd(2‐bpeb)0.5(CNA)(H2O)] (CP1), [Cd(2‐bpeb)0.5(NDC)] (CP2) and [Zn(2‐bpeb)(BDC)] (CP3) were synthesized successfully by introducing carboxylic acids of 4‐carboxycinnamic acid (H2CNA), 2,6‐naphthalene dicarboxylic acid (H2NDC) and 1,4‐benzenedicarboxylic acid (H2BDC) as auxiliary ligands. Because of the existence of the large π‐conjugated system and d10 metal ions, all of these coordination polymers exhibit striking fluorescence properties. Impressively, all of them can function as sensors for the detection of highly oxidizing anions MnO4− and Cr2O72−, with an increased sensitivity for MnO4−.
Connecting business with the agricultural landscape: business strategies for sustainable rural development
Authors: Swaffield Simon R. , Corry Robert C. , Opdam Paul , McWilliam Wendy , Primdahl Jørgen 
Published: June 2019

AbstractAgribusiness enterprises link rural landscapes to global and regional markets. The nature of these business–landscape relationships is vital to the sustainability transition. Decisions by farmers and agriculture policymakers aggregate to changes in the ecology of landscapes, but the influence of food supply system businesses on rural landscape sustainability also requires scrutiny. This article uses four international cases to present a conceptual framework for investigating how different business strategies can support agricultural landscape sustainability. Insights from North America, New Zealand, The Netherlands, and Denmark inform the framework dimensions of horizontal/territorial and vertical/systemic business–landscape relationships. Three types of business model that promote rural sustainability are highlighted: provenance, cogovernance, and placemaking. These models engage strategies such as environmental management systems, certification, ecosystem and landscape services, and spatial planning. Research directions that will improve understanding about how business can engage with rural stakeholders for more sustainable rural landscapes are identified, including the need for cross disciplinary perspectives incorporating social, ecological, and business knowledge.
Turning green subsidies into sustainability: How green process innovation improves firms' green image
Authors: Xie Xuemei , Zhu Qiwei , Wang Ruoyi 
Published: June 2019

AbstractGreen process innovation has been seen as a key strategy for manufacturing firms to pursue sustainable development. Yet, how to help manufacturing firms eliminate bottlenecks when implementing green process innovation remains poorly understood. To address this issue, the current study, which is anchored in the government incentive perspective, examines the drivers, contingent conditions, and consequences of green process innovation by using the panel data of manufacturing‐listed firms in China from 2013 to 2017. The results present valuable findings: (a) green subsidies are positively related to two dimensions of green process innovation, namely, cleaner production technology and end‐of‐pipe technology; (b) both cleaner production technology and end‐of‐pipe technology are positively related to firms' green image; (c) a firm's cleaner production technology mediates the relationship between green subsidies and its green image; and (d) higher absorptive capacity strengthens the indirect effect of green subsidies on a firm's green image via cleaner production technology. Our results provide meaningful theoretical and practical implications by revealing the benefits of green subsidies through green process innovation by leveraging levels of absorptive capacity.
Interactive tool for learning propagation in single‐mode optical fibers in telecommunication engineering
Authors: de Prado Rocío Pérez , García‐Cárdenas María , García‐Galán Sebastián , Muñoz‐Expósito José Enrique 
Published: June 2019

AbstractSingle‐mode optical fiber is one of the most extended wired transmission media providing broadband high‐speed communications all over the world whose performance highly depends on chromatic dispersion and modulation's effects. The motivation of this study is to offer a graphical analyzer of the propagation of Gaussian and super‐Gaussian light pulses directly modulated in a single‐mode optical fiber subject to chromatic dispersion of first and second‐order. The abstract nature of this electromagnetic phenomenon makes any tool that helps learners of optical fiber its understanding a useful resource. Through interactive learning, it is intended to facilitate the comprehension of the behavior of the fiber and feature its capacity in terms of bandwidth and length depending on different parameters and conditions. Also, the study and recreation of directly modulated pulses propagating in the dispersive fiber cannot only be used to teach the students how to avoid its negative impact but to use it as a mechanism to improve the properties of the whole optical communications system. The proposed analyzer consists of a MATLAB graphical user interface integrating the visualization of pulses in time, frequency and carrier's behavior together with additional graphs to interpret and correct chirp and numerical and textual indicators, menus and dialogs to understand the final outcome.
In Silico Evaluation of the Binding Site of Fucosyltransferase 8 and First Attempts to Synthesize an Inhibitor with Drug‐Like Properties
Authors: Strecker Claas , Baerenfaenger Melissa , Miehe Michaela , Spillner Edzard , Meyer Bernd 
Published: June 2019

AbstractCore fucosylation of N‐glycans is catalyzed by fucosyltransferase 8 and is associated with various types of cancer. Most reported fucosyltransferase inhibitors contain non‐drug‐like features, such as charged groups. New starting points for the development of inhibitors of fucosyltransferase 8 using a fragment‐based strategy are presented. Firstly, we discuss the potential of a new putative binding site of fucosyltransferase 8 that, according to a molecular dynamics (MD) simulation, is made accessible by a significant motion of the SH3 domain. This might enable the design of completely new inhibitor types for fucosyltransferase 8. Secondly, we have performed a docking study targeting the donor binding site of fucosyltransferase 8, and this yielded two fragments that were linked and trimmed in silico. The resulting ligand was synthesized. Saturation transfer difference (STD) NMR confirmed binding of the ligand featuring a pyrazole core that mimics the guanine moiety. This ligand represents the first low‐molecular‐weight compound for the development of inhibitors of fucosyltransferase 8 with drug‐like properties.
Optical Control of Transcription: Genetically Encoded Photoswitchable Variants of T7 RNA Polymerase
Authors: Seifert Swantje , Ehrt Christiane , Lückfeldt Lena , Lubeck Melissa , Schramm Frederik , Brakmann Susanne 
Published: June 2019

AbstractLight‐sensing protein domains that link an exogenous light signal to the activity of an enzyme have attracted much attention for the engineering of new regulatory mechanisms into proteins and for studying the dynamic behavior of intracellular reactions and reaction cascades. Light–oxygen–voltage (LOV) photoreceptors are blue‐light‐sensing modules that have been intensely characterized for this purpose and linked to several proteins of interest. For the successful application of these tools, it is crucial to identify appropriate fusion strategies for combining sensor and enzyme domains that sustain activity and light‐induced responsivity. Terminal fusion of LOV domains is the natural strategy; however, this is not transferrable to T7 RNA polymerase because both of its termini are involved in catalysis. It is shown herein that it is possible to covalently insert LOV domains into the polymerase protein, while preserving its activity and generating new light‐responsive allosteric coupling.
Stiff left atrial syndrome after low‐dose radiotherapy for right breast cancer: The need for invasive hemodynamics at exercise
Authors: Baratto Claudia , Caravita Sergio , Perego Giovanni B. , Parati Gianfranco 
Published: June 2019

AbstractStiff left atrial (LA) syndrome is a distinct phenotype of heart failure with preserved ejection fraction, characterized by predominant high LA pressure. We describe the case of a middle‐aged woman who developed exertional breathlessness during low‐dose radiotherapy for right breast cancer and who was eventually found to be affected by stiff LA syndrome. Invasive hemodynamics allowed the recognition of pathognomonic tall V waves in the wedge position during exercise, in spite of inconclusive noninvasive investigations.
Aggregation‐Induced Emission of Triphenyl‐Substituted Tristyrylbenzenes
Authors: Zhang Hao , Rominger Frank , Bunz Uwe H. F. , Freudenberg Jan 
Published: June 2019

AbstractThe synthesis, properties and X‐ray single‐crystal structures of two regioisomeric triphenyl tristyrylbenzenes are reported. Both C3v and Cs derivatives display aggregation‐induced emission (AIE) behavior. Regioisomerism impacts the solid‐state intermolecular interactions, the photophysical characteristics and photostability in solution.
Enhancement of Lewis Acidity of Cr‐Doped Nanocrystalline SnO2: Effect on Surface NH3 Oxidation and Sensory Detection Pattern
Authors: Garshev Alexey V. , Ivanov Vladimir K. , Krotova Alina A. , Filatova Darya G. , Konstantinova Elizaveta A. , Naberezhnyi Daniil O. , Khmelevsky Nikolay O. , Marikutsa Artem V. , Kots Pavel A. , Smirnov Andrey V. , Rumyantseva Marina N. , Gaskov Alexander M. , Krivetskiy Valeriy V. 
Published: June 2019

AbstractUnderstanding ammonia oxidation over metal oxide surfaces is crucial for improving its detection with resistive type gas sensors. Formation of NOx during this process makes sensor response and calibration unstable. Cr‐doping of nanocrystalline metal oxides has been reported to suppress NO2 sensitivity and improve response towards NH3, however the exact mechanism of such chromium action remained unknown. Herein, by using EPR spectroscopy we demonstrate formation of Cr(VI) lattice defects on the surface of nanocrystalline Cr‐doped SnO2. Enhancement of Cr‐doped SnO2 surface acidity and ammonia adsorption as a result has been revealed by using in situ IR spectroscopy. Moreover, a decrease in concentration of free electrons in the conduction band has been shown as a result of substitutional Cr(III) defects formation. Weaker NOx chemisorption during ammonia oxidation over SnO2 surface after Cr doping has been found with the use of mass‐spectrometry assisted NH3 thermo‐programmed desorption. The given example of surface acidity adjustment and electronic configuration by means of doping may find use in the design of new gas‐sensing metal oxide materials.
Real‐Time Observation of Diarylethene‐Based Photoswitches in a Cyclic Peptide Environment
Authors: Schweigert Caroline , Babii Oleg , Afonin Sergii , Schober Tim , Leier Julia , Michenfelder Nadine C. , Komarov Igor V. , Ulrich Anne S. , Unterreiner Andreas‐Neil 
Published: June 2019

AbstractThe front cover artwork is provided by the research groups of A. S. Ulrich and A.‐N Unterreiner, Karlsruhe Institute of Technology (Germany). The image illustrates the analyzed diarylethene (DAE)‐based photoswitches incorporated into a cyclic peptide with variable size. The Jablonski diagram shows possible relaxation pathways after photoexcitation with dominant triplet absorption. Concomitantly, the fluorescence intensity increases with smaller ring sizes resulting in less efficient ring closure. Read the full text of the Article at 10.1002/cptc.201900005.
Feedback of coastal marshes to climate change: Long‐term phenological shifts
Authors: Mo Yu , Kearney Michael S. , Turner R. Eugene 
Published: June 2019

AbstractCoastal marshes are important carbon sinks facing serious threats from climatic stressors. Current research reveals that the growth of individual marsh plants is susceptible to a changing climate, but the responses of different marsh systems at a landscape scale are less clear. Here, we document the multi‐decadal changes in the phenology and the area of the extensive coastal marshes in Louisiana, USA, a representative of coastal ecosystems around the world that currently experiencing sea‐level rise, temperature warming, and atmospheric CO2 increase. The phenological records are constructed using the longest continuous satellite‐based record of the Earth's ecosystems, the Landsat data, and an advanced modeling technique, the nonlinear mixed model. We find that the length of the growing seasons of the intermediate and brackish marshes increased concomitantly with the atmospheric CO2 concentration over the last 30 years, and predict that such changes will continue and accelerate in the future. These phenological changes suggest a potential increase in CO2 uptake and thus a negative feedback mechanism to climate change. The areas of the freshwater and intermediate marshes were stable over the period studied, but the areas of the brackish and saline marshes decreased substantially, suggesting ecosystem instability and carbon storage loss under the anticipated sea‐level rise. The marshes' phenological shifts portend their potentially critical role in climate mitigation, and the different responses among systems shed light on the underlying mechanisms of such changes.