bluuebunny/crossref_metadata_2025_split huggingface dataset:
Paramagnetic Conducting Metal–Organic Frameworks with Three‐Dimensional Structure
Authors: Wu Xiaoyu , Qiu Yi , Chen Zhijun , Guan Bo , Hao Xiang , Rykov Alexandre I. , Sun Yimeng , Liu Liyao , Zou Ye , Sun Junliang , Xu Wei , Zhu Daoben 
Published: August 2020

Abstract3D well‐crystallized metal–organic frameworks (MOFs), M‐THBQ (M=Fe, Co, Mn, THBQ=tetrahydroxybenzoquinone), are synthesized and characterized. Their structures are determined as cubic cell in the group of Pm
from powder X‐ray diffraction data, and their properties of electronic, magnetic and spectroscopic are also investigated. They are all semiconductors, and Fe‐THBQ exhibits the air‐stable n‐type thermoelectric characteristic as its Seebeck coefficient reaches −130 μV K−1, and the electrical conductivity is 2.7×10−4 S cm−1 at 300 K. Additional, M‐THBQ are paramagnetic, and the value of Weiss constant of Fe‐THBQ is −219.37 K, indicating the existence of robust intramolecular antiferromagnetic exchanges. Meanwhile, they display strong absorption bands in the range of 220 to 1000 nm, suggest M‐THBQ could have the potential to become photoabsorbers, and Fe‐THBQ exhibits a narrow band gap of 0.63 eV according to the ultraviolet absorption edge spectrum.
A Multi‐action PtIV Conjugate with Oleate and Cinnamate Ligands Targets Human Epithelial Growth Factor Receptor HER2 in Aggressive Breast Cancer Cells
Authors: Kostrhunova Hana , Zajac Juraj , Markova Lenka , Brabec Viktor , Kasparkova Jana 
Published: August 2020

AbstractHER2‐positive breast cancer is an aggressive subtype that typically responds poorly to standard chemotherapy. To design an anticancer drug selective for HER2‐expressing breast cancer, a PtIV prodrug with axial oleate and cinnamate ligands was synthesized. We demonstrate its superior antiproliferative activity in monolayer and 3D spheroid models; the antiproliferative efficiency increases gradually with increasing expression of HER2. The results also suggest that the released PtII compound inhibits the proliferation of cancer cells by a DNA‐damage‐mediated mechanism. Simultaneously, the released oleic and cinnamic acid can effectively inhibit HER2 expression. To our knowledge, this is the first platinum‐based complex inhibiting HER2 expression that does not contain protein or peptide. Moreover, this PtIV prodrug is capable of overcoming the resistance of cancer stem cells (CSCs), inducing death in both CSCs and differentiated cancer cells. Thus, the results substantiate our design strategy and demonstrate the potential of this approach for the development of new, therapeutically relevant compounds.
Rational Design of a DNA‐Scaffolded High‐Affinity Binder for Langerin
Authors: Bachem Gunnar , Wamhoff Eike‐Christian , Silberreis Kim , Kim Dongyoon , Baukmann Hannes , Fuchsberger Felix , Dernedde Jens , Rademacher Christoph , Seitz Oliver 
Published: August 2020

AbstractBinders of langerin could target vaccines to Langerhans cells for improved therapeutic effect. Since langerin has low affinity for monovalent glycan ligands, highly multivalent presentation has previously been key for targeting. Aiming to reduce the amount of ligand required, we rationally designed molecularly defined high‐affinity binders based on the precise display of glycomimetic ligands (Glc2NTs) on DNA‐PNA scaffolds. Rather than mimicking langerin's homotrimeric structure with a C3‐symmetric scaffold, we developed readily accessible, easy‐to‐design bivalent binders. The method considers the requirements for bridging sugar binding sites and statistical rebinding as a means to both strengthen the interactions at single binding sites and amplify the avidity enhancement provided by chelation. This gave a 1150‐fold net improvement over the affinity of the free ligand and provided a nanomolar binder (IC50=300 nM) for specific internalization by langerin‐expressing cells.
Ethylene Dehydroaromatization over Ga‐ZSM‐5 Catalysts: Nature and Role of Gallium Speciation
Authors: Zhou Yunwen , Thirumalai Hari , Smith Scott K. , Whitmire Kenton H. , Liu Jing , Frenkel Anatoly I. , Grabow Lars C. , Rimer Jeffrey D. 
Published: August 2020

AbstractBifunctional catalysis in zeolites possessing both Brønsted and Lewis acid sites offers unique opportunities to tailor shape selectivity and enhance catalyst performance. Here, we examine the impact of framework and extra‐framework gallium species on enriched aromatics production in zeolite ZSM‐5. We compare three distinct methods of preparing Ga‐ZSM‐5 and reveal direct (single step) synthesis leads to optimal catalysts compared to post‐synthesis methods. Using a combination of state‐of‐the‐art characterization, catalyst testing, and density functional theory calculations, we show that Ga Lewis acid sites strongly favor aromatization. Our findings also suggest Ga(framework)–Ga(extra‐framework) pairings, which can only be achieved in materials prepared by direct synthesis, are the most energetically favorable sites for reaction pathways leading to aromatics. Calculated acid site exchange energies between extra‐framework Ga at framework sites comprised of either Al or Ga reveal a site‐specific preference for stabilizing Lewis acids, which is qualitatively consistent with experimental measurements. These findings indicate the possibility of tailoring Lewis acid siting by the placement of Ga heteroatoms at distinct tetrahedral sites in the zeolite framework, which can have a marked impact on catalyst performance relative to conventional H‐ZSM‐5.
Visible‐Light Photoredox‐Catalyzed Remote Difunctionalizing Carboxylation of Unactivated Alkenes with CO2
Authors: Song Lei , Fu Dong‐Min , Chen Liang , Jiang Yuan‐Xu , Ye Jian‐Heng , Zhu Lei , Lan Yu , Fu Qiang , Yu Da‐Gang 
Published: August 2020

AbstractRemote difunctionalization of unactivated alkenes is challenging but a highly attractive tactic to install two functional groups across long distances. Reported herein is the first remote difunctionalization of alkenes with CO2. This visible‐light photoredox catalysis strategy provides a facile method to synthesize a series of carboxylic acids bearing valuable fluorine‐ or phosphorus‐containing functional groups. Moreover, this versatile protocol shows mild reaction conditions, broad substrate scope, and good functional‐group tolerance. Based on DFT calculations, a radical adds to an unactivated alkene to smoothly form a new carbon radical, followed by a 1,5‐hydrogen atom‐transfer process, the rate‐limiting step, generating a more stable benzylic radical. The reduction of the benzylic radicals by an IrIIspecies generates the corresponding benzylic carbanions as the key intermediates, which further undergo nucleophilic attack with CO2to generate carboxylates.
The Biosynthetic Gene Cluster for Sestermobaraenes—Discovery of a Geranylfarnesyl Diphosphate Synthase and a Multiproduct Sesterterpene Synthase from Streptomyces mobaraensis
Authors: Hou Anwei , Dickschat Jeroen S. 
Published: August 2020

AbstractA biosynthetic gene cluster from Streptomyces mobaraensis encoding the first cases of a bacterial geranylfarnesyl diphosphate synthase and a type I sesterterpene synthase was identified. The structures of seven sesterterpenes produced by these enzymes were elucidated, including their absolute configurations. The enzyme mechanism of the sesterterpene synthase was investigated by extensive isotope labeling experiments.
Electrospinning of PLA and PLA/POSS nanofibers: Use of Taguchi optimization for process parameters
Authors: Meyva‐Zeybek Yelda , Kaynak Cevdet 
Published: August 2020

AbstractIt is known that electrospinning is the most practical technique to obtain unique nanofibrous structures, such as neat PLA (polylactide) and PLA filled with POSS (Polyhedral Oligomeric Silsesquioxane) particles. On the other hand, due to the so many different process parameters to consider, production of these fibers are extremely difficult and time consuming. That is, use of a certain statistical optimization technique in the design of experiments would be necessary. Therefore, the main purpose of this study was to determine the optimum electrospinning parameters by applying the Taguchi technique first to neat PLA and then to reveal the applicability of these parameters for the electrospinning of PLA/POSS nanofibers. It was observed that instead of conducting 81 experiments to determine the most significant four optimum process parameters for PLA, use of Taguchi L9 orthogonal array experiment matrix, that is, conducting only nine experiments, reduced time, labor and material consumption considerably. For the smallest electrospun PLA fiber diameter, the optimum parameters determined were; “PLA solution concentration” of 8% w/v, “solution feeding rate” of 1.8 mL/h, “needle‐to‐collector distance” of 18 cm, and “applied voltage” of 15 kV. Moreover, it was generally concluded that these same parameters could be also used for the electrospinning of PLA/POSS nanofibers after addition of only 3 wt% KCl salt into the polymer solution.
High‐flux PVDF/PVP nanocomposite ultrafiltration membrane incorporated with graphene oxide nanoribbones with improved antifouling properties
Authors: Tofighy Maryam Ahmadzadeh , Mohammadi Toraj , Sadeghi Mohammad Hadi 
Published: August 2020

AbstractA novel polyvinylidene fluoride (PVDF) nanocomposite membrane containing graphene oxide nanoribbones (GONRs) as a new nanofiller and polyvinylpyrrolidone (PVP) as pore former agent was prepared via phase inversion method. GONRs were prepared by oxidative unzipping of multi‐walled carbon nanotubes (MWCNTs) via chemical approach. Chemical vapor deposition method was used to synthesis MWCNTs. The effects of adding GONRs and PVP into the casting solution on morphology, hydrophilicity and pure water flux (PWF) of the prepared nanocomposite membranes were explored. Antifouling experiments were also performed. It was found that compared to the neat PVDF membrane, PWF of the PVDF/PVP, PVDF/(0.5GONRs) and PVDF/(0.5GONRs)/PVP membranes were improved 80%, 44.9%, and 241.6%, respectively. The obtained results showed that GONRs and PVP exhibit synergistic effects in controlling the membrane properties. This work shows that GONRs can be suitable as nanofiller for preparation of high performance PVDF ultrafiltration membranes with improved antifouling properties.
Common hippopotamus in Nigeria: New census data and literature review confirm the conservation importance of sites outside protected areas
Authors: Baker Lynne R. , Che Jennifer , Teneke Vastinah N. , Kadala Edward , Uba Mikailu S. , Geoffrey Nachamanda , Haskainu Calvin 
Published: August 2020

AbstractOnce abundant across Africa, the common hippopotamus is threatened owing to habitat degradation and loss, hunting, and negative human–wildlife interactions. West African populations are notably small and fragmented and therefore at greatest risk.In Nigeria, Africa's most populous nation, the IUCN estimates that only 100 hippos remain. They occur in protected areas, such as national parks and game reserves, and outside protected areas in estuarine habitats, inland rivers, lakes, and reservoirs. However, the status of hippos in most sites is poorly known. Reliable data are needed to better ascertain the status of this species in Nigeria.Over five days in December 2018 and May 2019, motorized boats were used to conduct a census of the hippo population in Kiri Dam reservoir, a large‐dam reservoir along the Gongola River, a major tributary of the Benue River, in north‐eastern Nigeria. These findings were compared with data on hippo abundance from several sites across Nigeria and the Benue River basin in North Cameroon.A minimum of 56 hippos (51 adults and 5 calves) were recorded, predominantly in the transitional zone of the reservoir. Based on available data, hippos in Kiri reservoir currently represent the largest recorded population in Nigeria, exceeding individual populations in official protected areas.Research and conservation efforts for hippos in Nigeria should focus on assessing their status and improving protection in key sites and increasing connectivity among populations. Special attention should be paid to populations within the Benue River basin, which is emerging as critical for hippopotamus conservation in west‐central Africa.
A Simple and Strong Electron‐Deficient 5,6‐Dicyano[2,1,3]benzothiadiazole‐Cored Donor‐Acceptor‐Donor Compound for Efficient Near Infrared Thermally Activated Delayed Fluorescence
Authors: Kumsampao Jakkapan , Chaiwai Chaiyon , Chasing Pongsakorn , Chawanpunyawat Thanyarat , Namuangruk Supawadee , Sudyoadsuk Taweesak , Promarak Vinich 
Published: August 2020

AbstractDespite the success of thermally activated delayed fluorescent (TADF) materials in steering the next generation of organic light‐emitting diodes (OLEDs), effective near infrared (NIR) TADF emitters are still very rare. Here, we present a simple and extremely high electron‐deficient compound, 5,6‐dicyano[2,1,3]benzothiadiazole (CNBz), as a strong electron‐accepting unit to develop a sufficiently strong donor‐acceptor (D−A) interaction for NIR emission. End‐capping with the electron‐donating triphenylamine (TPA) unit created an effective D−A−D type system, giving rise to an efficient NIR TADF emissive molecule (λem=750 nm) with a very small ΔEST of 0.06 eV. The electroluminescent device using this NIR TADF emitter exhibited an excellent performance with a high maximum radiance of 10020 mW Sr−1 m−2, a maximum EQE of 6.57% and a peak wavelength of 712 nm.
Iterative Suzuki‐Miyaura Cross‐coupling/Bromo‐desilylation Reaction Sequences for the Assembly of Chemically Well‐defined, Acyclic Oligopyrrole/Benzenoid Hybrids Embodying Mixed Modes of Connectivity
Authors: Lee BoRa , Willis Anthony C. , Ward Jas S. , Smith Warren T. , Lan Ping , Banwell Martin G. 
Published: August 2020

AbstractSyntheses of a range of chemically well‐defined oligopyrrole/benzenoid hybrids are described using tandem Suzuki‐Miyaura cross‐coupling/bromo‐desilyation reaction sequences for linking borylated pyrroles, halogenated pyrroles and/or dibromobenzenes to one another. By such means, including iterative variants, a range of all α‐linked, all β‐linked oligopyrroles as well as certain combinations thereof have been assembled, some of them for the first time. The conductivities of iodine‐treated thin films formed from certain such systems have been determined.
Synthesis of Porphyrinquinone and Doubly‐Fused Diporphyrin Quinone Through Oxidation of Diarylporphyrins Using a Hypervalent Iodine Compound
Authors: Yamashita Ken‐ichi , Hirano Daisuke , Fujimaki Keisuke , Sugiura Ken‐ichi 
Published: August 2020

AbstractTreatment of a meso‐diarylporphyrin with PhI(OAc)2 in the presence of BF3 ⋅ OEt2 and propionic acid affords the corresponding porphyrinquinone in a high yield (91%). A novel quinone derived from meso‐meso β–β doubly‐fused diporphyrin was obtained as the sole byproduct (16% yield), which exhibits strong panchromatic absorption between 300 and 1000 nm. It has a low HOMO‐LUMO gap owing to expanded and low‐symmetry π‐planes.
Approximate and trajectory controllability of fractional stochastic differential equation with non‐instantaneous impulses and Poisson jumps
Authors: Dhayal Rajesh , Malik Muslim , Abbas Syed 
Published: August 2020

AbstractThe problem of approximate controllability is investigated in this paper for a class of fractional stochastic differential equations driven by fractional Brownian motion with non‐instantaneous impulses and Poisson jumps. The results are obtained by employing the η‐resolvent family and Krasnoselskii's fixed point theorem. Further, we derive the trajectory controllability for the proposed stochastic control system. Finally, an example is provided to illustrate the obtained theory.
How Much Is It Worth? An Overview of Valuing Water Utilities
Authors: Mastracchio John , McCartney Andy , Fedder Toby , Bui Ann , King Philip , Lane Mike 
Published: August 2020

Key TakeawaysSeveral situations for water utilities call for valuation of the water system, such as consolidation, sale, forming a new entity, and eminent domain.Valuing water utilities requires drawing upon well‐established standard valuation concepts and general approaches.Because the water sector is subject to numerous and complex regulations, valuing water utilities entails many considerations and requires water sector and business valuation expertise.
Identify Alternatives to Improve Utility Performance
Authors: Tangorra Philip A. 
Published: August 2020

Key TakeawaysPeriodic critical reviews are valuable to all aspects of water utility operations to identify top needs such as reducing risk, complying with regulations, and recruiting and retaining staff.Utilities must be prepared for future challenges and can benefit by evaluating alternative solutions.Communication across all business levels and locations is essential for a water utility's success.
Vergleichende Untersuchung von VOC‐Sensoren
Authors: Bruns Alfred , Knissel Jens , Schmidt Ralf‐Gunther 
Published: August 2020

AbstractIn dem vorliegenden Beitrag wird die Anwendung von VOC‐Sensoren zur luftqualitätsgeführten Volumenstromregelung bei Dunstabzugshauben untersucht. Bei Koch‐ und Garprozessen müssen die VOC‐Sensoren hohe Verunreinigungen sowie schnelle und teilweise sprunghafte Signaländerungen detektieren. Untersucht werden fünf unterschiedliche VOC‐Sensoren von vier Herstellern. Durch Messungen werden die spezifischen Eigenschaften der VOC‐Sensoren analysiert und untereinander verglichen. Die durchgeführten Messungen zeigen, dass ein Vergleich der absoluten Sensorsignale nicht zielführend ist. Werden die Messsignale der einzelnen VOC‐Sensoren als Prozentwerte bezogen auf die Differenz von maximalem und minimalem Messwert einer Zeitreihe dargestellt (normiert), weisen vier der fünf Sensoren bei gleicher Verunreinigungslast ähnliche Signalverläufe auf. Zwei VOC‐Sensoren werden detailliert untersucht und zeigen einen plausiblen Signalverlauf bei Koch und Bratvorgängen, aber auch in einem Vorlesungssaal und in einem Büro.
In‐situ‐Messung des Wasseraufnahmeverhaltens von Fassaden
Authors: Stelzmann Mario , Möller Ulrich , Grunewald John 
Published: August 2020

AbstractDas Wasseraufnahmeverhalten von Fassadenkonstruktionen historischer Gebäude spielt für deren Dauerhaftigkeit eine wesentliche Rolle. Für die Bestimmung des Wasseraufnahmeverhaltens von Fassadenbaustoffen können nach dem Stand der Technik lokal Proben entnommen und im Labor untersucht werden. Im Hinblick auf den Denkmalschutz oder den Einfluss von Mörtelfugen bei Sichtmauerwerk ist diese Vorgehensweise nicht immer sinnvoll. In‐situ‐Messgeräte arbeiten zerstörungsfrei und direkt am Gebäude, liefern jedoch häufig nur beschränkt aussagekräftige Ergebnisse. Dieser Aufsatz enthält Teile der Ergebnisse der Dissertationsschrift Stelzmann [1] und Ansätze für die Abschätzung verschiedener Effekte, die In‐situ‐Prüfungen zum Wasseraufnahmeverhalten beeinflussen können. Hierzu zählen die Korrektur dreidimensionalen Saugens im Bereich des Randes der Benetzungsfläche, abweichende Wassertemperaturen oder vorhandene Startfeuchtegehalte der Fassadenbaustoffe. Nach physikalischer Herleitung wurden drei Fassadenkonstruktionen in einer umfangreichen Studie mit dem in [1] entwickelten Wasseraufnahmemessgerät insgesamt 274 In‐situ‐Einzelprüfungen untersucht. Die statistische Auswertung der Daten gibt einen Eindruck der jeweiligen Anteile der verschiedenen Effekte an der Messunsicherheit bei In‐situ‐Messungen.
Einsatz und Auswirkung von Vegetation bei autochthonen Bauten
Authors: Krause Pia , Leistner Philip , Mehra Schew‐Ram 
Published: August 2020

AbstractIn dieser Studie wird auf Grundlage einer Literaturanalyse der aktuelle Forschungsstand zu autochthonen Bauten und deren Beitrag zur klimagerechten Gestaltung der gebauten Umwelt auf globaler sowie regionaler Ebene ausgewertet und zusammengefasst. Dabei wird insbesondere der Einsatz und die Auswirkung von Vegetation im Außenraum, zur Anpassung an das Klima, analysiert. Laut diversen Studien zeichnen sich autochthone Bauten nicht nur durch einen schonenden Umgang mit Ressourcen aus, sondern tragen durch die sensible Eingliederung in den geographischen und topographischen Kontext auch einer bioklimatischen Gestaltungsdoktrin Rechnung. Zusätzlich werden anhand der Literaturauswertung bestehende Forschungslücken hinsichtlich der Themenstellung, insbesondere für den regionalen Kontext, identifiziert und formuliert. Die wissenschaftliche Analyse autochthoner Bauten ist im deutschen Raum noch unterrepräsentiert und erfordert weitere Untersuchungen.
Global trends in the incidence and mortality of esophageal cancer from 1990 to 2017
Authors: Fan Jiahui , Liu Zhenqiu , Mao Xianhua , Tong Xin , Zhang Tiejun , Suo Chen , Chen Xingdong 
Published: August 2020

AbstractBackgroundThe incidence and mortality of esophageal cancer are high, with 5.90 new cases and 5.48 deaths per 100 000 people worldwide in 2017. The prognosis of esophageal cancer is poor, with an overall 5‐year survival rate of less than 20%. Esophageal cancer in different geographical locations has different etiologies, and the incidence and mortality of esophageal cancer continue to rise in some regions.MethodsWe collected incidence and mortality data by age and gender for 195 countries and territories from 1990 to 2017 in the Global Burden of Disease (GBD) database. And we used these data to calculate the estimated annual percentage change (EAPC) to quantify trends in morbidity and mortality. Then we analyzed the gender‐ and age‐specific incidence and mortality in esophageal cancer to targeted high‐risk populations. Finally, we analyzed the correlation between the age‐standardized mortality rate (ASMR) and both the EAPC and social‐demographic index (SDI), and we calculated the Pearson correlation coefficient.ResultsWe found that Malawi, East Asia, and high‐middle SDI regions had the highest age‐standardized incidence rate (ASIR) and ASMR, and the ASIR and ASMR in western Sub‐Saharan Africa showed an upward trend. Our study also showed that the incidence and mortality in esophageal cancer were highest in men and in the 70+ years age group, and they presented a decreasing trend in most regions, but the 15‐49 years age groups in Australasia, Caribbean, and Oceania and the 70+ years age group in High‐Income North America, Oceania and high‐SDI regions presented an increasing trend. There were significant negative associations between ASMR at baseline and EAPC and between ASMR and SDI in 2017.ConclusionBy analyzing the global distribution of incidence and mortality in esophageal cancer, trends over time, and gender and age specificity, we can understand the heterogeneity of its global trends. This heterogeneity can help us to identify high‐risk groupsand to provide clues for the exploration of the etiology and early prevention of the disease.