bluuebunny/crossref_metadata_2025 huggingface dataset:
Caracterização da fragilidade ambiental de uma bacia hidrográfica urbana no município de Santa Maria - RS
Authors: Schiavo Bruna Nascimento de Vasconcellos , Hentz Ângela Maria Klein , Corte Ana Paula Dalla , Sanquetta Carlos Roberto
Published: May 2020

The Geoprocessing has been considered a fundamental tool in the definition of intervention policies and environmental management. This work presents a methodological guide of application of Geoprocessing technologies to characterize the environmental fragility of Arroio Cadena sub river basin, inserted in the municipality of Santa Maria, central region of Rio Grande do Sul state. We used the methodology proposed by Ross in (1994), which is based in the comprehension of the characteristics and the dynamics of the natural environment. To evaluate the fragility, it is established weights or grades to each situation that the variables can present. We used as indicators of the potential environmental fragility, the factors: declivity and soil type, and as indicators of emerging fragility, the factors: declivity, soil type and the use and occupation of the land. Among the uses of the basin, the areas of soil that is exposed and urbanization predominate. The basin has a weak potential fragility, with 52.9% in relation to the total area, and it is a consequence of the flat declivity aggregated in the soil type. It presents a strong emerging fragility, with 37.7% of the total area, due to the irregular occupations and the inadequate use of natural resources.
A aplicabilidade do ICMS ecológico nos municípios paranaenses
Authors: Aguirre Joelma Leopoldino , Nogueira Vilma Aparecida de Moraes , Stefanello Paulinho Rene , Fernandes Alexandre Machado , Silva Frederico Fonseca da
Published: May 2020

The ICMS-e is an important instrument of public politics focused to environment, compensating financially cities of Parana state (Brazil) that have in their territory Environmental Preservation Areas and / or Water Source Public Supply. The general purpose of this study was verifying the applicability of resources in the municipalities benefit from income derived from the ICMS in the State of Paraná. The methodology is based on bibliographic and documentary review and interviews with state and local public officials, fiscal and environmental areas. It was found through research low percentage of application of ICMS-e on actions focused at environmental preservation, even in municipalities highly dependent of this source of revenue for your maintenance. It is suggested environmental education and awareness of the municipal government with the inclusion in the Budget Guidelines Law (LDO) and Annual Budget Law (LOA) of significant and sufficient part of the resources generated by the environment programs and effective actions for the preservation and environmental maintenance.
Use of residual glycerin and glycerol in biopolymer preparation
Authors: Rezende Dennis Júnior Lara Faleiro de , Sarrouh Boutros , Naves Fabiano Luiz , Lofrano Renata Carolina Zanetti
Published: May 2020

Residual glycerin, a co-product obtained in the biodiesel production by transesterification reaction, has been generated in great quantities in the last decade due to the increase in the demand of this biofuel. Therefore, researches related to the production of high added value and environmental friendly materials using residual glycerin are fundamental for an appropriate destination of this waste. In this context, the present study aims on the reuse of the glycerin co-product in the synthesis of poly(glycerol citrate) biopolymer. Polymerization reactions were studied using citric acid, residual glycerin without pre-treatment and ZnCl2 as catalyst. Conversion rates of 58.2 % were obtained in 120 min of reaction time, such results shows a promising potential in producing a biodegradable biopolymer using law cost raw material.
Photocatalytic oxidation of clozapine using TiO2 immobilized in polystyrene: effect of operation parameters and artificial neural network modeling
Authors: Santana Rayany Magali da Rocha , Moura Thalita Cristhina de Lima , Nascimento Graziele Elisandra do , Charamba Lívia Vieira Carlini , Duarte Marta Maria Menezes Bezerra , Napoleão Daniella Carla
Published: May 2020

In recent years, heterogeneous photocatalysis using semiconductors has proved to be efficient for the treatment of wastewater containing organic pollutants, such as drugs. Among some photocatalysts, titanium dioxide (TiO2) has been studied and applied for this purpose. Therefore, this work investigated the photocatalytic degradation of the antipsychotic clozapine under ultraviolet irradiation, using suspended and supported TiO2 in polystyrene material. Some experimental parameters were evaluated through a factorial design 23; a higher degradation rate of the compound was verified using 0.15 g of the immobilized catalyst, [H2O2] of 340 mg L-1 and pH 9, after 6 h of treatment. It was possible to obtain degradations above 93.48% and a two-stage model was proposed to describe the reaction kinetics. An artificial neural network was used to model the photocatalytic process and to determine the importance of the operational variables. It was also established that the use of this treatment resulted in 78.30% removal of chemical oxygen demand (COD) under optimized conditions. In addition, the stability of TiO2 support after five consecutive cycles was verified from reuse tests. However, by means of toxicological tests with Escherichia coli and Salmonella enteritidis, it was observed that the products generated by the reaction were more toxic than the original compound.
Regulations in National Laws on Construction in Coastal Areas
Authors: Afrough Abdolmohammad , Mirabbassi Syed Bagher , Asgarkhani Abumohammad , Moradi Maryam
Published: May 2020

The coasts and the sides of the sea, the forehead of the lands and, consequently, are the forefront of the national lands. Our sustained and deep effort in coastal and port management and engineering is a special part of the ethical responsibility of the Ports and Maritime Organization and from this, the fate of the beauty and purity of coasts and ports is deeply tied to the fate of the type and form of exploitation of the coast. Therefore, the present study was carried out with the purpose of collecting and integrating existing national laws in the field of construction in coastal and port areas and determining the weak points and ambiguities of existing regulations. Previous studies have been done in detail and in several publications and regulations, while existing and valid regulations throughout the world are comprehensive in the form of a book or journal. Due to the scatter of domestic publications and the absence of a comprehensive source in this study, these journals have been thoroughly and comprehensively presented as a book or journal. The design of coastal structures is designed to create harmony and uniformity in the design, construction, monitoring, and implementation of coastal structures and related projects, as well as to observe the principles, methods and technologies appropriate to the equipment and adapted to the requirements. The country is being prepared and compiled and, in addition to using the feedbacks received from the journals number 300, the guidelines and technical texts presented with the new standards of the standards and other national regulations have also been harmonized and in cases where national standards and criteria are not available, international standards should be used.  The paper also attempts to make the publication available in such a way that due to the limited access to the standards and regulations and in order to expand the culture of technical knowledge and transfer it to the design and implementation of the projects, the contents of the guidelines and technical regulations necessary to provision is made to users.
Los factores competenciales para crear y hacer crecer la empresa: una perspectiva desde el empoderamiento femenino
Authors: Zaragoza Marta
Published: May 2020

Este artículo tiene como objetivo ofrecer algunas estrategias que una mujer puede utilizar para desarrollar su proyecto profesional en el ámbito de la creación y la dirección de empresas, ya sea por cuenta propia o ajena. Asimismo, le permitirá superar las dificultades con las que se encuentre por razón de género a la hora de fijar o lograr sus objetivos.

Para poder comprender los fundamentos de las estrategias y medidas propuestas, en el apartado de la introducción se identifican los principales factores del entorno o extrínsecos que explican la situación que han vivido, y todavía viven, las mujeres de todo el mundo. Esta situación está mayoritariamente caracterizada por la carencia de igualdad de oportunidades en la mayoría de los ámbitos.

El apartado de las estrategias arranca con la que se fundamenta en el modelo de emprendibilidad en clave de competencias y que tiene sus orígenes en el modelo de empleabilidad referenciado en el texto. Este modelo pretende dar respuesta a cuatro preguntas fundamentales que permitan definir y ejecutar el propio proyecto de vida con mayor garantía de éxito. En cuanto a las otras estrategias, estas se basan en el empoderamiento de la mujer y en el apoyo y el acompañamiento personal y profesional por parte de todas aquellas personas con las cuales pueda establecer una relación de complicidad y confianza.

Finalmente, se propone un modelo de dirección y gestión del equipo humano que ponga el foco de atención en la gestión de la competencia profesional de toda la organización y la igualdad de oportunidades, independientemente de sus factores personales, lo que tiene que permitir construir un equipo con los/las profesionales con quienes se comparte la misión, la visión y los valores del proyecto.
Rarity is a more reliable indicator of land-use impacts on soil invertebrate communities than other diversity metrics
Authors: Dopheide Andrew , Makiola Andreas , Orwin Kate H , Holdaway Robert J , Wood Jamie R , Dickie Ian A
Published: May 2020

The effects of land use on soil invertebrates – an important ecosystem component – are poorly understood. We investigated land-use impacts on a comprehensive range of soil invertebrates across New Zealand, measured using DNA metabarcoding and six biodiversity metrics. Rarity and phylogenetic rarity – direct measures of the number of species or the portion of a phylogeny unique to a site – showed stronger, more consistent responses across taxa to land use than widely used metrics of species richness, effective species numbers, and phylogenetic diversity. Overall, phylogenetic rarity explained the highest proportion of land use-related variance. Rarity declined from natural forest to planted forest, grassland, and perennial cropland for most soil invertebrate taxa, demonstrating pervasive impacts of agricultural land use on soil invertebrate communities. Commonly used diversity metrics may underestimate the impacts of land use on soil invertebrates, whereas rarity provides clearer and more consistent evidence of these impacts.
Distribution of the acoustic occurrence of dolphins during the summers 2011 to 2015 in the Upper Gulf of California, Mexico
Authors: Cárdenas Hinojosa Gustavo , de la Cueva Horacio , Gerrodette Tim , Jaramillo-Legorreta Armando M.
Published: May 2020

Baseline knowledge of spatial and temporal distribution patterns is essential for cetacean management and conservation. Such knowledge is particularly important in areas where gillnet fishing occurs, as the Upper Gulf of California, which increases the probability of bycatch of cetaceans. In this area, the vaquita porpoise (Phocoena sinus) has been widely studied, but the knowledge of other cetaceans is scarce and based on traditional visual survey methods. We used data collected by an array of acoustic click detectors (C-PODs) during the summers 2011 to 2015 to analyze the distribution of dolphins in the Vaquita Refuge in the Upper Gulf of California. We recorded 120,038 echolocation click trains of dolphins during 12,371 days of recording effort at 46 sampling sites. Based on simultaneous visual and acoustic data, we estimated a false positive acoustic detection rate of 19.4%. Dolphin acoustic activity varied among sites, with higher activity in the east of the Vaquita Refuge. Acoustic activity was higher at night than during the day. We used negative binomial generalized linear models to study the count of clicks of dolphins in relation to spatial, temporal, physical, biological and anthropogenic explanatory variables. The best model selected for the response variable included sampling site, day-night condition, and vertical component of tide speed. Patterns in the spatial distribution of predicted acoustic activity of dolphins were similar to the acoustic activity observed per sampling season. Higher acoustic activity was predicted at night, but the tide speed variable was not relevant under this condition. Acoustic activity patterns could be related to the availability of prey resources since echolocation click trains are associated with foraging activities of dolphins. This is the first study of the distribution of dolphins in Mexico using medium-term systematic passive acoustic monitoring, and the results can contribute to better management to the natural protected area located in the Upper Gulf of California.
Recent advances in biochar application for water and wastewater treatment: a review
Authors: Wang Xiaoqing , Guo Zizhang , Hu Zhen , Zhang Jian
Published: May 2020

In the past decade, researchers have carried out a massive amount of research on the application of biochar for contaminants removal from aqueous solutions. As an emerging sorbent with great potential, biochar has shown significant advantages such as the broad sources of feedstocks, easy preparation process, and favorable surface and structural properties. This review provides an overview of recent advances in biochar application in water and wastewater treatment, including a brief discussion of the involved sorption mechanisms of contaminants removal, as well as the biochar modification methods. Furthermore, environmental concerns of biochar that need to be paid attention to and future research directions are put forward to promote the further application of biochar in practical water and wastewater treatment.
The case for extended lifespan in cooperatively breeding mammals: a re-appraisal
Authors: Thorley Jack
Published: May 2020

Recent comparative studies have suggested that cooperative breeding is associated with increases in maximum lifespan among mammals, replicating a pattern also seen in birds and insects. In this study, we re-examine the case for increased lifespan in mammalian cooperative breeders by analysing a large dataset of maximum longevity records. We did not find any consistent, strong evidence that cooperative breeders have longer lifespans than other mammals after having controlled for variation in body mass, mode of life and data quality. The only possible exception to this general trend is found in the African mole-rats (the Bathyergid family), where all members are relatively long-lived, but where the social, cooperatively breeding species appear to be much longer-lived than the solitary species. However, solitary mole-rat species have rarely been kept in captivity or followed longitudinally in the wild and so it seems likely that their maximum lifespan has been underestimated when compared to the highly researched social species. Although few subterranean mammals have received much attention in a captive or wild setting, current data instead supports a causal role of subterranean living on lifespan extension in mammals.
Assessment of Soil Quality under Different Agricultural Land Use Systems: A Case Study of the Ibadan Farm Settlement
Authors: Adebo B. O. , Aweto A. O. , Ogedengbe K.
Published: May 2020

Soil quality in an agroecosytem is considerably influenced by land use and management practices. Twenty two potential soil quality indicators were used to assess the effects of five different land use types (arable land, plantation, agroforestry, marginal land and native forest) on soil quality in Akufo and Atan farm settlements in Ibadan, southwestern Nigeria. A total of sixty-two fields were selected from which soil samples were taken at a depth of 0-15 cm and subjected to laboratory analysis. Majority of the evaluated physicochemical properties varied significantly among the land uses and whereas native land performed relatively better for most of the observed attributes, arable and marginal lands performed worse. Due to the moderate to strong significant correlation among the potential indicators, they were subjected to principal component analysis and only seven indicators were selected to compute the soil quality index (SQI). In both Akufo and Atan, native land had the highest SQI (0.8250 and 0.860 respectively) which was significantly different (P = .05) from all the agricultural land uses, except plantation (0.739 and 0.750 respectively). Whereas marginal field in Atan was most degraded (SQI = 0.455), it was closely followed by arable fields in both locations. This study indicates that the current agricultural land use and soil management practices in Akufo and Atan farm settlements have negatively impacted soil quality; however, the degree of degradation was strongly influenced by the concentration of soil organic carbon in the understudied land use systems. It also emphasizes the need to promote the use of sustainable management practices among agricultural land users, so as to increase soil organic carbon stock, and improve soil quality and land productivity.
Pathophysiology, Clinical Presentation, and Treatment of Psoriasis
Authors: Armstrong April W. , Read Charlotte
Published: May 2020

Importance

Approximately 125 million people worldwide have psoriasis. Patients with psoriasis experience substantial morbidity and increased rates of inflammatory arthritis, cardiometabolic diseases, and mental health disorders.

Observations

Plaque psoriasis is the most common variant of psoriasis. The most rapid advancements addressing plaque psoriasis have been in its pathogenesis, genetics, comorbidities, and biologic treatments. Plaque psoriasis is associated with a number of comorbidities including psoriatic arthritis, cardiometabolic diseases, and depression. For patients with mild psoriasis, topical agents remain the mainstay of treatment, and they include topical corticosteroids, vitamin D analogues, calcineurin inhibitors, and keratolytics. The American Academy of Dermatology-National Psoriasis Foundation guidelines recommend biologics as an option for first-line treatment of moderate to severe plaque psoriasis because of their efficacy in treating it and acceptable safety profiles. Specifically, inhibitors to tumor necrosis factor α (TNF-α) include etanercept, adalimumab, certolizumab, and infliximab. Other biologics inhibit cytokines such as the p40 subunit of the cytokines IL-12 and IL-23 (ustekinumab), IL-17 (secukinumab, ixekizumab, bimekizumab, and brodalumab), and the p19 subunit of IL-23 (guselkumab, tildrakizumab, risankizumab, and mirikizumab). Biologics that inhibit TNF-α, p40IL-12/23, and IL-17 are also approved for the treatment of psoriatic arthritis. Oral treatments include traditional agents such as methotrexate, acitretin, cyclosporine, and the advanced small molecule apremilast, which is a phosphodiesterase 4 inhibitor. The most commonly prescribed light therapy used to treat plaque psoriasis is narrowband UV-B phototherapy.

Conclusions and Relevance

Psoriasis is an inflammatory skin disease that is associated with multiple comorbidities and substantially diminishes patients’ quality of life. Topical therapies remain the cornerstone for treating mild psoriasis. Therapeutic advancements for moderate to severe plaque psoriasis include biologics that inhibit TNF-α, p40IL-12/23, IL-17, and p19IL-23, as well as an oral phosphodiesterase 4 inhibitor.
Modification of PLGA Scaffold by MSC‐Derived Extracellular Matrix Combats Macrophage Inflammation to Initiate Bone Regeneration via TGF‐β‐Induced Protein
Authors: Deng Moyuan , Tan Jiulin , Hu Chengshen , Hou Tianyong , Peng Wei , Liu Juan , Yu Bo , Dai Qijie , Zhou Jiangling , Yang Yusheng , Dong Rui , Ruan Changshun , Dong Shiwu , Xu Jianzhong
Published: May 2020

The immunologic response toward chronic inflammation or bone regeneration via the accumulation of M1 or M2 macrophages after injury could determine the fate of biomaterial. Human umbilical cord mesenchymal stem cells (hUCMSCs) have a pivotal immunomodulatory property on directing macrophage behaviors. Herein, for the first time, 3D‐printed poly(lactide‐co‐glycolide) (PLGA) scaffolds modified with hUCMSC‐derived extracellular matrix (PLGA‐ECM) are prepared by a facile tissue engineering technique with physical decellularization and 2.44 ± 0.29 mg cm−3 proteins immobilized on the PLGA‐ECM contain multiple soluble cytokines with a sustainable release profile. The PLGA‐ECM not only attenuates the foreign body response, but also improves bone regeneration by increasing the accumulation of M2 macrophages in an improved heterotopic transplantation model of SCID mice. Furthermore, the PLGA‐ECM scaffolds with the knockdown of transforming growth factor‐β‐induced protein (TGFβI/βig‐H3) demonstrate that M2 macrophage accumulation improved by the PLGA‐ECM could be attributed to increasing the migration of M2 macrophages and the repolarization of M1 macrophages to M2 phenotype, which are mediated by multiple integrin signaling pathways involving in integrin β7, integrin α9, and integrin β1 in a TGFβI‐dependent manner. This study presents an effective surface modification strategy of polymeric scaffolds to initiate tissue regeneration and combat inflammatory response by increasing M2 macrophage accumulation.
On the Mechanistic Understanding of Photovoltage Loss in Iron Pyrite Solar Cells
Authors: Rahman Mohammad , Boschloo Gerrit , Hagfeldt Anders , Edvinsson Tomas
Published: May 2020

Considering the natural abundance, the optoelectronic properties, and the electricity production cost, iron pyrite (FeS2) has a strong appeal as a solar cell material. The maximum conversion efficiency of FeS2 solar cells demonstrated to date, however, is below 3%, which is significantly below the theoretical efficiency limit of 25%. This poor conversion efficiency is mainly the result of the poor photovoltage, which has never exceeded 0.2 V with a device having appreciable photocurrent. Several studies have explored the origin of the low photovoltage in FeS2 solar cells, and have improved understanding of the photovoltage loss mechanisms. Fermi level pinning, surface inversion, ionization of bulk donor states, and photocarrier loss have been suggested as the underlying reasons for the photovoltage loss in FeS2. Given the past and more recent scientific data, together with contradictory results to some extent, it is timely to discuss these mechanisms to give an updated view of the present status and remaining challenges. Herein, the current understanding of the origin of low photovoltage in FeS2 solar cells is critically reviewed, preceded by a succinct discussion on the electronic structure and optoelectronic properties. Finally, suggestions of a few research directions are also presented.
Oil–water transport in clay‐hosted nanopores: Effects of long‐range electrostatic forces
Authors: Xiong Hao , Devegowda Deepak , Huang Liangliang
Published: May 2020

Charged clay surfaces can impact the storage and mobility of hydrocarbon and water mixtures. Here, we use equilibrium molecular dynamics (MD) and nonequilibrium MD simulations to investigate hydrocarbon‐water mixtures and their transport in slit‐shaped illite nanopores. We construct two illite pore models with different surface chemistries: potassium–hydroxyl (PH) and hydroxyl–hydroxyl (HH) structures. In HH nanopore, we observe water adsorption on the clay surfaces. In PH nanopores, however, we observe the formation of water bridges because of the existence of a local, long‐range electric field. Our NEMD simulations demonstrate that the velocity profiles across the pore depend strongly on water concentration, pore width and the presence or absence of the water bridge. This fundamental study provides a theoretical basis for understanding nanofluidics with charged surfaces and can be applied in such as biological processes, chemical and physical fields, and the oil and gas extraction in clay‐rich formations.
An apparent new syndrome of extreme short stature, microcephaly, dysmorphic faces, intellectual disability, and a bone dysplasia of unknown etiology
Authors: Stinson Jennifer L. , Brault Jennifer A. , Delk Paula R. , Graham Brett H. , Karmazyn Boaz , Hall Bryan , Weaver David D.
Published: May 2020

We report on a 26‐year‐old male with extreme short stature, microcephaly, macroglossia, other dysmorphic features, severe intellectual disability, and a bone dysplasia. The patient had an extensive genetic and biochemical evaluation that was all normal or noninformative. Recently, the proband died following a period of not eating. He likely had a previously undescribed syndrome of unknown etiology.
Scientific Advising and Reviewing: On strengthening the bond between the Alzheimer's Association and the scientific community
Authors: Knopman David , Lemere Cynthia A. , Lamb Bruce T. , Craft Suzanne , Gitlin Laura N. , Golde Todd E. , Pericak‐Vance Margaret , Sano Mary , Schellenberg Gerard , Schneider Julie A. , Zheng Hui , Khachaturian Zaven , Snyder Heather M. , Carrillo Maria C.
Published: May 2020

From its inception in 1980, advancement of research was one of the primary missions of the Alzheimer's Association (also known as Alzheimer's Disease and Related Disorders Association) in addition to leading in family caregiver support, better care, public education, and awareness. Over the past 30 years, the Association has grown and expanded its engagement with the scientific community. In the past 10 years, its research budget has more than doubled, greatly increasing the number of research grants funded and the number of strategic projects supported. The leadership and members of the Medical and Scientific Advisory Council recognized that the growth of the Alzheimer's Association and the expanded mission of Medical & Scientific Relations Division necessitated a change in the mission and charge of the external scientific advisory function to the Association.
Longitudinal Development of Peripapillary Hyper‐Reflective Ovoid Masslike Structures Suggests a Novel Pathological Pathway in Multiple Sclerosis
Authors: Petzold Axel , Coric Danko , Balk Lisanne J. , Hamann Steffen , Uitdehaag Bernard M. J. , Denniston Alastair K. , Keane Pearse A. , Crabb David P.
Published: May 2020

Objective

Peripapillary hyper‐reflective ovoid masslike structures (PHOMS) are a new spectral domain optical coherence tomography (OCT) finding.

Methods

This prospective, longitudinal study included patients (n = 212) with multiple sclerosis (MS; n = 418 eyes), 59 healthy controls (HCs; n = 117 eyes), and 267 non‐MS disease controls (534 eyes). OCT and diffusion tensor imaging were used.

Results

There were no PHOMS in HC eyes (0/117, 0%). The prevalence of PHOMS was significantly higher in patients with MS (34/212, p = 0.001) and MS eyes (45/418, p = 0.0002) when compared to HCs (0/59, 0/117). The inter‐rater agreement for PHOMS was 97.9% (kappa = 0.951). PHOMS were present in 16% of patients with relapsing–remitting, 16% of patients with progressive, and 12% of patients with secondary progressive disease course (2% of eyes). There was no relationship of PHOMS with age, disease duration, disease course, disability, or disease‐modifying treatments. The fractional anisotropy of the optic radiations was lower in patients without PHOMS (0.814) when compared to patients with PHOMS (0.845, p = 0.03). The majority of PHOMS remained stable, but increase in size and de novo development of PHOMS were also observed. In non‐MS disease controls, PHOMS were observed in intracranial hypertension (62%), optic disc drusen (47%), anomalous optic discs (44%), isolated optic neuritis (19%), and optic atrophy (12%).

Interpretation

These data suggest that PHOMS are a novel finding in MS pathology. Future research is needed to determine whether development of PHOMS in MS is due to intermittently raised intracranial pressure or an otherwise impaired “glymphatic” outflow from eye to brain. ANN NEUROL 2020;88:309–319.
Efficient Generation of Atomic Singlet State with Rydberg Blockade and Lie‐Transform‐Based Pulse Design
Authors: Da Xinyu , Shi Zhi‐Cheng
Published: May 2020

A protocol to generate atomic singlet state of three atoms is proposed. The strong Rydberg interactions between atoms mediate the multi‐qubit operations and help to simplify the dynamics of the system. The effective Hamiltonian is constructed in the regime of Rydberg blockade and the evolution path is built up from an initial state to the target singlet state via the Lie‐transform‐based pulse design. Numerical simulations show the protocol can produce atomic singlet state with high fidelity and holds robustness against several types of experimental imperfections. Therefore, it may provide some useful results for the generation of singlet states in atomic system.
Fluorinated Aromatic Diluent for High‐Performance Lithium Metal Batteries
Authors: Yoo Dong‐Joo , Yang Sungyun , Kim Ki Jae , Choi Jang Wook
Published: May 2020

In lithium metal batteries, electrolytes containing a high concentration of salts have demonstrated promising cyclability, but their practicality with respect to the cost of materials is yet to be proved. Here we report a fluorinated aromatic compound, namely 1,2‐difluorobenzene, for use as a diluent solvent in the electrolyte to realize the “high‐concentration effect”. The low energy level of the lowest unoccupied molecular orbital (LUMO), weak binding affinity for lithium ions, and high fluorine‐donating power of 1,2‐difluorobenzene jointly give rise to the high‐concentration effect at a bulk salt concentration near 2 m, while modifying the composition of the solid‐electrolyte‐interphase (SEI) layer to be rich in lithium fluoride (LiF). The employment of triple salts to prevent corrosion of the aluminum current collector further improves cycling performance. This study offers a design principle for achieving a local high‐concentration effect with reasonably low bulk concentrations of salts.
Die dynamische Wechselwirkung von n‐Butan mit Imidazolium‐basierten ionischen Flüssigkeiten
Authors: Bhuin Radha G. , Winter Leonhard , Lexow Matthias , Maier Florian , Steinrück Hans‐Peter
Published: May 2020

Das Auftreffen eines Reaktanten aus der Gasphase auf die Oberfläche einer Flüssigkeit und dessen Transfer durch die Gas/Flüssig‐Grenzfläche sind äußerst wichtig für verschiedene Konzepte in der Katalyse, bei denen ionische Flüssigkeiten (engl. ionic liquids, ILs) verwendet werden. Wir haben daher die Adsorptionsdynamik von n‐Butan auf einer Reihe von 1‐Alkyl‐3‐methyl‐imidazolium‐bis(trifluoromethansulfonyl)imid‐ILs ([CnC1Im][Tf2N]; n=1, 2, 3, 8) mithilfe eines Überschallmolekularstrahls im Ultrahochvakuum auf gefrorenen IL‐Oberflächen in Abhängigkeit der Oberflächentemperatur zwischen 90 und 125 K bestimmt. Auf den C8‐ und C3‐ILs adsorbiert n‐Butan bei 90 K mit einem Anfangshaftfaktor von ≈0.89. Die Adsorptionsenergie steigt mit zunehmender Länge der Alkylseitenkette im Kation, während die ionischen Kopfgruppen anscheinend nur schwach mit n‐Butan wechselwirken. Im Gegensatz dazu findet auf den C1‐ und C2‐ILs keine Adsorption statt. Dies führen wir auf eine zu kurze Verweilzeit auf der IL‐Oberfläche zurück, weshalb selbst bei 90 K keine Kondensationskeime gebildet werden können.
Gold Complexes with Difunctional Perfluoroalkyl Chains: Quantifying the Energy of Aurophilic Interactions in Flexible Open‐Chain Complexes
Authors: Portugués Alejandro , González Lydia , Bautista Delia , Gil‐Rubio Juan
Published: May 2020

The first binuclear AuI compounds containing bridging (CF2)n chains (n=4, 6, 8) and AuIII metallaperfluorocyclopentanes have been obtained by photoinitiated reactions of LAuMe (L=PPh3, PMe3, PCy3, or IPr) with α,ω‐diiodoperfluorocarbons. Complexes LAu(CF2)4AuL present an unusual looped structure stabilized by an aurophilic interaction for L=PMe3, PPh3, and PCy3. The study of their dynamic behaviour has provided new insights about the strength of aurophilic interactions in solution, allowing quantification of the energy of a single Au⋅⋅⋅Au interaction.
High‐Performance All‐Polymer Solar Cells: Synthesis of Polymer Acceptor by a Random Ternary Copolymerization Strategy
Authors: Du Jiaqi , Hu Ke , Meng Lei , Angunawela Indunil , Zhang Jinyuan , Qin Shucheng , Liebman‐Pelaez Alex , Zhu Chenhui , Zhang Zhanjun , Ade Harald , Li Yongfang
Published: May 2020

Demonstrated in this work is a simple random ternary copolymerization strategy to synthesize a series of polymer acceptors, PTPBT‐ETx, by polymerizing a small‐molecule acceptor unit modified from Y6 with a thiophene connecting unit and a controlled amount of an 3‐ethylesterthiophene (ET) unit. Compared to PTPBT of only Y6‐like units and thiophene units, PTPBT‐ETx (where x represents the molar ratio of the ET unit) with an incorporated ET unit in the ternary copolymers show up‐shifted LUMO energy levels, increased electron mobilities, and improved blend morphologies in the blend film with the polymer donor PBDB‐T. And the all‐polymer solar cell (all‐PSC) based on PBDB‐T:PTPBT‐ET0.3 achieved a high power conversion efficiency over 12.5 %. In addition, the PTPBT‐ET0.3‐based all‐PSC also exhibits long‐term photostability over 300 hours.
Sustainable synthesis of quinolines (pyridines) catalyzed by a cheap metal Mn(I)‐NN complex catalyst
Authors: Chai Huining , Tan Weiqiang , Lu Yuanyuan , Zhang Guangyao , Ma Jiping
Published: May 2020

This study represents the first example of a bidentate phosphine‐free manganese(I)‐NN complex catalyst for the synthesis of quinolines (pyridines) through acceptorless dehydrogenative condensation of various secondary alcohols with amino alcohols. The coupling reactions occurred at 3 mol% catalyst loading and 110°C, and tolerated diverse functional groups. Moderate to excellent yields ranging from 45% to 89% were achieved after 12 hr of reaction. The present protocol provides a concise and environmentally friendly method for the construction of heterocyclic compounds.
Fe3O4@SiO2‐CeCl3 Catalyzed Chemoselective Synthesis of Functionalized 3‐Substituted‐1,5‐Benzodiazepines via One‐pot Multicomponent and Domino Reactions
Authors: Zhou Laiyun , Wang Mingliang , Wang Kaixuan , Wen Tiantian , Wang Lanzhi
Published: May 2020

Fe3O4@SiO2‐CeCl3 catalyzed chemoselective synthesis of functionalized 3‐substituted‐1,5‐benzodiazepines via one‐pot multicomponent and domino reactions has been developed. During the one‐pot synthesis process, one new cycle and four new bonds (one C–C, two C–N and one C=C) were constructed by the nucleophilic addition and eliminate reaction (dehydration etc.) process, intramolecular proton transfer and cyclization process. The major advantages of the present method are good to excellent yields, shorter reaction time, simple experimental procedure, easy work up, mild reaction conditions, recyclability of the catalyst and ability to tolerate a variety of functional groups which gives economical as well as ecological rewards.
Triazine‐cored dendritic molecules containing multiple o‐carborane clusters
Authors: Jena Bibhuti Bhusan , Jena Soumya Ranjan , Swain Biswa Ranjan , Mahanta Chandra Sekhara , Samanta Luna , Dash Barada P. , Satapathy Rashmirekha
Published: May 2020

A series of C3‐symmetricaltriazine‐cored small dendritic molecules containing three to nine peripheral o‐carborane clusters were synthesized through Cu(I)‐catalyzedazide–alkyne cycloaddition reactions. The newly synthesized molecules containing multiple o‐carborane moieties were characterized using nuclear magnetic resonance and matrix‐assisted laser desorption/ionization‐time of flight mass spectral analysis. The biological evaluation of these three to nine cage dendrimers was performed using breast cancer cells (Michigan Cancer Foundation 7). All these dendritic compounds showed cytotoxicity toward breast cancer cells, and the toxicity increased as the number of peripheral o‐carboranes increased. The 9‐cage molecule showed the highest cytotoxicity, and the half maximal inhibitory concentration (IC50) value was found to be 80.67 ng/ml. Its cytotoxicity was significantly higher than the common chemotherapy agent cisplatin. As expected, the boron‐richo‐carborane‐appended molecules showed high thermal stability. The thermal stability increased as the number of peripheral o‐carborane moieties increased.
Alkali Metal–Promoted Facile Synthesis of Secondary Amines from Imines and Carbodiimides
Authors: Panda Tarun K. , Banerjee Indrani , Sagar Shweta
Published: May 2020

We present here an efficient method for the hydroboration of aldimines (‐C=N‐) with pinacolborane (HBpin) using an alkali metal catalyst, potassium benzyl. The reaction was accomplished with unprecedented catalytic efficiency under mild and solvent‐free conditions to afford the high yield of the corresponding N‐boryl amines up to 97%. Various functionalities on aldimines were incorporated for hydroboration. The corresponding boryl amines were subjected to further hydrolysis to yield the corresponding secondary amines with good yields up to 89%. This protocol for the reaction demonstrates an atom‐economic and green method with diverse imines that bears excellent functional group tolerance. Chemoselective reduction of imines was also attained, with good yields of 74–89%. We also propose the most plausible mechanism involving the formation of metal hydride as the active pre‐catalyst.
Near‐Infrared Multipurpose Lanthanide‐Imaging Nanoprobes
Authors: Wang Zhimin , Xing Bengang
Published: May 2020

Optical imaging plays a growing role in modern biomedical research and clinical applications due to its high sensitivity, superb spatiotemporal resolution and minimal hazards. Lanthanide‐doped nanoparticles (LDNPs), as a classical category of luminescent materials, exhibit promising photostability, near‐infrared (NIR)‐excited frequency up‐/down‐converting capabilities, emission fine‐tuning and multispectral features, which have greatly promoted the endeavors of deeper and clearer diagnostics in complex living conditions. This review focuses on the recent advances of LDNP‐based multipurpose imaging studies using upconversion, downshifting, lifetime, photoacoustic and multimodal nanoprobes in the NIR (650–1000 nm) and the second near‐infrared window (NIR‐II, 1000–1700 nm). The principle and design of various functional, activatable, multiplexing or multimodal lanthanide‐imaging nanoprobes (LINPs) as well as representative biophotonic applications are summarized in detail. In addition, the future perspectives and challenges for facilitating LINPs to clinical translations are discussed.
Masked observation for majority‐based control of a democratic progress model in the framework of discrete event systems
Authors: Park Seong‐Jin , Yang Jung‐Min
Published: May 2020

This paper addresses a simple democratic progress model represented by a discrete‐event system (DES) and the influence of information accessibility on the progressiveness of the model. Each agent makes a decision according to its selfish criterion, and the final decision for the progress or regression of the system is done by the majority rule based on individual decisions of agents. We first present the conditions for the closed‐loop system to be progressive or regressive under full observation where every agent can observe all the states. Then we focus on the masked observation problem, namely, whether the progressiveness of the closed‐loop behavior can be changed by restricting the information accessibility of agents that are characterized by their masks. Especially, we show that due to the elite class, the regressive closed‐loop system can never be transformed into progressive regardless of mask design, which conforms to the feature of modern democracy.
Thromboembolic and bleeding complications in patients with oesophageal cancer
Authors: Mulder F I , Hovenkamp A , Laarhoven H W M , Büller H R , Kamphuisen P W , Hulshof M C C M , Berge Henegouwen M I , Middeldorp S , Es N
Published: May 2020

Background

In patients who undergo curative treatment for oesophageal cancer, risk estimates of venous thromboembolism (VTE), arterial thromboembolism and bleeding are needed to guide decisions about thromboprophylaxis.

Methods

This was a single-centre, retrospective cohort study of patients with stage I–III oesophageal cancer who received neoadjuvant chemoradiation followed by oesophagectomy. The outcomes VTE, arterial thromboembolism, major bleeding, clinically relevant non-major bleeding and mortality were analysed for four consecutive cancer treatment stages (from diagnosis to neoadjuvant chemoradiotherapy, during neoadjuvant treatment, 30-day postoperative period, and up to 6 months after postoperative period).

Results

Some 511 patients were included. The 2-year survival rate was 67·3 (95 per cent c.i. 63·2 to 71·7) per cent. During the 2-year follow-up, 50 patients (9·8 per cent) developed VTE, 20 (3·9 per cent) arterial thromboembolism, 21 (4·1 per cent) major bleeding and 30 (5·9 per cent) clinically relevant non-major bleeding. The risk of these events was substantial at all treatment stages. Despite 30-day postoperative thromboprophylaxis, 17 patients (3·3 per cent) developed VTE after surgery. Patients with VTE had worse survival (time-varying hazard ratio 1·81, 95 per cent c.i. 1·25 to 2·64). Most bleeding events occurred around the time of medical intervention, and approximately one-half during concomitant use of prophylactic or therapeutic anticoagulation.

Conclusion

Patients with oesophageal cancer undergoing neoadjuvant chemoradiotherapy and surgery are at substantial risk of thromboembolic and bleeding events throughout all stages of treatment. Survival is worse in patients with thromboembolic events during follow-up.
Redirection of miRNA‐Argonaute Complexes to Specific Target Sites by Synthetic Adaptor Molecules
Authors: Bolz Mathias , Thomas Laura , Scheffer Ute , Kalden Elisabeth , Hartmann Roland K. , Göbel Michael W.
Published: May 2020

Dysregulation of miRNAs is connected with a multitude of diseases for which antagomirs and miRNA replacement are discussed as therapeutic options. Here, we suggest an alternative concept based on the redirection of RISCs to non‐native target sites. Metabolically stable DNA‐LNA mixmers are used to mediate the binding of RISCs to mRNAs without any direct base complementarity to the presented guide RNA strand. Physical redirection of a dye‐labeled miRNA model and of specific miRNA‐programmed RISC fractions present in HeLa extracts is demonstrated by pull‐down experiments with biotinylated capture oligonucleotides.
Cutis verticis gyrata: Two cases associated with drug‐resistant epilepsy
Authors: Rattagan Maria , De Francesco Maria , Kriebaum Antonio , Ferraro Fernando , Major Catherine , Sharma Deepak , Ojeda Andrew , Martinez Oscar , Musto Alberto E.
Published: May 2020

Cutis verticis gyrata (CVG) is a neurocutaneous syndrome characterized by the formation of folds in the scalp that resembles the cerebral cortex. We present two cases of CVG and intellectual disability with drug‐resistant epilepsy. Recognizing CVG is necessary to provide interdisciplinary support for the treatment of comorbidities associated with this entity.
Vanadium Oxide‐Nitride Composites for Catalytic Oxidative C−C Bond Cleavage of Cyclohexanol into Lactones with Dioxygen
Authors: Xiao Chuhong , Du Zhongtian , Li Shaojie , Zhao Yanbin , Liang Changhai
Published: May 2020

Selective catalytic oxidative C−C bond cleavage with dioxygen is useful and challenging to prepare oxygenated fine chemicals. Herein we fabricated vanadium oxide–nitride composites as catalysts via a facile thermal treatment process, and the surface composition could be tuned by the thermal treatment temperature, which could affect catalytic oxidation of cyclohexanol significantly. By using such a V−N−C composite prepared at 500 °C, cyclohexanol could be selectively oxidized with dioxygen into lactones including δ‐valerolactone and γ‐butyrolactone, rather than common dicarboxylic acids. Cyclohexanone and 2‐cyclohexen‐1‐one were verified as two key intermediates. V3+ species in the form of vanadium nitride and vanadium (III) oxide were detected, and well dispersed on amorphous carbon with a low degree of graphitization. These findings will provide a reference for catalytic oxidative C−C bond cleavage with molecular oxygen under mild reaction conditions.
Effect of Larger Pore Size on the Sorption Properties of Isoreticular Metal–Organic Frameworks with High Number of Open Metal Sites
Authors: Dietzel Pascal D. C. , Georgiev Peter A. , Frøseth Morten , Johnsen Rune E. , Fjellvåg Helmer , Blom Richard
Published: May 2020

Four isostructural CPO‐54‐M metal‐organic frameworks based on the larger organic linker 1,5‐dihydroxynaphthalene‐2,6‐dicarboxylic acid and divalent cations (M=Mn, Mg, Ni, Co) are shown to be isoreticular to the CPO‐27 (MOF‐74) materials. Desolvated CPO‐54‐Mn contains a very high concentration of open metal sites, which has a pronounced effect on the gas adsorption of N2, H2, CO2 and CO. Initial isosteric heats of adsorption are significantly higher than for MOFs without open metal sites and are slightly higher than for CPO‐27. The plateau of high heat of adsorption decreases earlier in CPO‐54‐Mn as a function of loading per mole than in CPO‐27‐Mn. Cluster and periodic density functional theory based calculations of the adsorbate structures and energetics show that the larger adsorption energy at low loadings, when only open metal sites are occupied, is mainly due to larger contribution of dispersive interactions for the materials with the larger, more electron rich bridging ligand.
One‐Pot Synthesis of Enantioenriched β‐Amino Secondary Amides via an Enantioselective [4+2] Cycloaddition Reaction of Vinyl Azides withN‐Acyl Imines Catalyzed by a Chiral Brønsted Acid
Authors: Nakanishi Taishi , Kikuchi Jun , Kaga Atsushi , Chiba Shunsuke , Terada Masahiro
Published: May 2020

A catalytic enantioselective synthesis of β‐amino secondary amides was achieved using vinyl azides as the enamine‐type nucleophile and chiralN‐Tf phosphoramide as the chiral Brønsted acid catalyst through a five‐step sequential transformation in one pot. The established sequential transformation involves an enantioselective [4+2] cycloaddition reaction of vinyl azides withN‐acyl imines as the key stereo‐determining step that is efficiently accelerated by a chiralN‐Tf phosphoramide catalyst in a highly enantioselective manner in most cases. Further generation of the iminodiazonium ion intermediate through ring opening of the cycloaddition product and subsequent skeletal rearrangement involving Schmidt‐type 1,2‐aryl group migration followed by recyclization of the resulting nitrilium ion were also initiated by the same acid catalyst. Final acid hydrolysis of the recyclized products in the same pot gave rise to enantioenriched β‐amino amides through C−C bond formation at the α‐position of the secondary amides.