bluuebunny/crossref_metadata_2025 huggingface dataset:
A novel COVID‐19 based truck driver syndemic? Implications for public health, safety, and vital supply chains
Authors: Lemke Michael Kenneth , Apostolopoulos Yorghos , Sönmez Sevil
Published: May 2020

U.S. long‐haul truck drivers traverse great distances and interact with numerous individuals, rendering them vulnerable to acquiring and transmitting coronavirus disease 2019 (COVID‐19). Together, the unique co‐occurrence of pronounced health disparities and known COVID‐19 infection, morbidity, and mortality risks suggest the possibility of a novel COVID‐19 based truck driver syndemic due to advanced driver age and endemic health issues. In turn, COVID‐19 sequelae may perpetuate existing health disparities. The co‐occurrence of afflictions may also result in compromised safety performance. To curb the likelihood of a COVID‐19 based truck driver syndemic, several action stepsare needed. First, key COVID‐19 metrics need to be established for this population. Second, relationships between long‐haul trucker network attributes and COVID‐19 spread need to bedelineated. Third, mutually reinforcing interactions between endemic health disparities and COVID‐19 vulnerability need to be elucidated. Finally, grounded in the aforementioned steps, policies and interventions need to be identified and implemented.
Copy number variation burden does not predict severity of neurodevelopmental phenotype in children with a sex chromosome trisomy
Authors: Mountford Hayley S. , Bishop Dorothy V. M. , Thompson Paul A. , Simpson Nuala H. , Newbury Dianne F.
Published: May 2020

Sex chromosome trisomies (SCTs) (XXX, XXY, and XYY karyotypes) are associated with an elevated risk of neurodevelopmental disorders. The range of severity of the phenotype is substantial. We considered whether this variable outcome was related to the presence of copy number variants (CNVs)—stretches of duplicated or deleted DNA. A sample of 125 children with an SCT were compared with 181 children of normal karyotype who had been given the same assessments. First, we compared the groups on measures of overall CNV burden: number of CNVs, total span of CNVs, and likely functional impact (probability of loss‐of‐function intolerance, pLI, summed over CNVs). Differences between groups were small relative to within‐group variance and not statistically significant on overall test. Next, we considered whether a measure of general neurodevelopmental impairment was predicted by pLI summed score, SCT versus comparison group, or the interaction between them. There was a substantial effect of SCT/comparison status but the pLI score was not predictive of outcomes in either group. We conclude that variable presence of CNVs is not a likely explanation for the wide phenotypic variation in children with SCTs. We discuss methodological challenges of testing whether CNVs are implicated in causing neurodevelopmental problems.
Metabolic and cardiovascular risk factors in Klinefelter syndrome
Authors: Spaziani Matteo , Radicioni Antonio F.
Published: May 2020

Klinefelter syndrome (KS), which normally presents with a 47,XXY karyotype, is the most common sex chromosome disorder in males. It is also the most common genetic cause of male infertility. KS subjects are typically tall, with small and firm testes, gynecomastia, broad hips, and sparse body hair, although a less evident presentation is also possible. KS is also characterized by a high prevalence of hypogonadism, metabolic syndrome (MetS) and cardiovascular disease. The aim of this article is to systematically review metabolic and the cardiovascular risk factors in KS patients. Hypogonadism has an important role in the pathogenesis of the changes in body composition (particularly visceral obesity) and hence of insulin resistance and MetS, but the association between KS and MetS may go beyond hypogonadism alone. From childhood, KS patients may show an increase in visceral fat with a reduction in lean body mass and an increase in glucose and impaired fat metabolism. Their increased incidence of congenital anomalies, epicardial adipose tissue, and thromboembolic disease suggests they have a higher risk of cardiovascular disease. There is conflicting evidence on the effects of testosterone therapy on body composition and metabolism.
A 2‐Tyr‐1‐carboxylate Mononuclear Iron Center Forms the Active Site of a Paracoccus Dimethylformamidase
Authors: Arya Chetan Kumar , Yadav Swati , Fine Jonathan , Casanal Ana , Chopra Gaurav , Ramanathan Gurunath , Vinothkumar Kutti R. , Subramanian Ramaswamy
Published: May 2020

N,N‐dimethyl formamide (DMF) is an extensively used organic solvent but is also a potent pollutant. Certain bacterial species from genera such as Paracoccus, Pseudomonas, and Alcaligenes have evolved to use DMF as a sole carbon and nitrogen source for growth via degradation by a dimethylformamidase (DMFase). We show that DMFase from Paracoccus sp. strain DMF is a halophilic and thermostable enzyme comprising a multimeric complex of the α2β2 or (α2β2)2 type. One of the three domains of the large subunit and the small subunit are hitherto undescribed protein folds of unknown evolutionary origin. The active site consists of a mononuclear iron coordinated by two Tyr side‐chain phenolates and one carboxylate from Glu. The Fe3+ ion in the active site catalyzes the hydrolytic cleavage of the amide bond in DMF. Kinetic characterization reveals that the enzyme shows cooperativity between subunits, and mutagenesis and structural data provide clues to the catalytic mechanism.
Covalent Assembly of MoS2 Nanosheets with SnS Nanodots as Linkages for Lithium/Sodium‐Ion Batteries
Authors: Ru Jiajia , He Ting , Chen Binjie , Feng Yutong , Zu Lianhai , Wang Zhijun , Zhang Qiaobao , Hao Tianzi , Meng Ruijin , Che Renchao , Zhang Chi , Yang Jinhu
Published: May 2020

Weak van der Waals interactions between interlayers of two‐dimensional layered materials result in disabled across‐interlayer electron transfer and poor layered structural stability, seriously deteriorating their performance in energy applications. Herein, we propose a novel covalent assembly strategy for MoS2 nanosheets to realize unique MoS2/SnS hollow superassemblies (HSs) by using SnS nanodots as covalent linkages. The covalent assembly based on all‐inorganic and carbon‐free concept enables effective across‐interlayer electron transfer, facilitated ion diffusion kinetics, and outstanding mechanical stability, which are evidenced by experimental characterization, DFT calculations, and mechanical simulations. Consequently, the MoS2/SnS HSs exhibit superb rate performance and long cycling stability in lithium‐ion batteries, representing the best comprehensive performance in carbon‐free MoS2‐based anodes to date. Moreover, the MoS2/SnS HSs also show excellent sodium storage performance in sodium‐ion batteries.
Katalytische enantioselektive Sulfenofunktionalisierung von Alkenen: Entwicklung und aktuelle Fortschritte
Authors: Matviitsuk Anastassia , Panger Jesse L. , Denmark Scott E.
Published: May 2020

In den letzten Jahren wurden vielzählige Methoden für die enantioselektive vicinale Difunktionalisierung von Alkenen durch elektrophilen Sulfenylgruppentransfer vorgestellt. Die Addition von Sulfeniumionen an Alkene resultiert in der Bildung chiraler, nicht‐racemischer Thiiraniumionen. Diese hoch reaktiven Zwischenstufen reagieren mit zahlreichen Nukleophilen in einem stereospezifischen Ringöffnungsereignis, umanti‐1,2‐sulfenofunktionalisierte Produkte zu liefern. Die praktische Anwendung des Sulfeniumionentransfers wurde durch Fortschritte auf dem Gebiet der Lewis‐Base‐Katalyse ermöglicht. Dieser Aufsatz beginnt mit einer Schilderung der ursprünglichen Entdeckung und Charakterisierung der Thiiraniumionen als Reaktionszwischenstufen, daran schließen sich Ausführungen zu ihrer konfigurativen Stabilität und den Herausforderungen bei der Entwicklung enantioselektiver Varianten an. Basierend auf den Grundprinzipien der Reaktivität und Stabilität der Thiiraniumionen wird eine kritische Analyse grundlegender Studien vorgenommen. Abschließend folgt eine umfassende Diskussion moderner Anwendungen in der Synthese, unterteilt nach Art des für die Sulfenofunktionalisierung eingesetzten Nukleophils.
Enantioselective Intramolecular Allylic Substitution via Synergistic Palladium/Chiral Phosphoric Acid Catalysis: Insight into Stereoinduction through Statistical Modeling
Authors: Tsai Cheng‐Che , Sandford Christopher , Wu Tao , Chen Buyun , Sigman Matthew S. , Toste F. Dean
Published: May 2020

The mode of asymmetric induction in an enantioselective intramolecular allylic substitution reaction catalyzed by a combination of palladium and a chiral phosphoric acid was investigated by a combined experimental and statistical modeling approach. Experiments to probe nonlinear effects, the reactivity of deuterium‐labeled substrates, and control experiments revealed that nucleophilic attack to the π‐allylpalladium intermediate is the enantio‐determining step, in which the chiral phosphate anion is involved in stereoinduction. Using multivariable linear regression analysis, we determined that multiple noncovalent interactions with the chiral environment of the phosphate anion are integral to enantiocontrol in the transition state. The synthetic protocol to form chiral pyrrolidines was further applied to the asymmetric construction of C−O bonds at fully substituted carbon centers in the synthesis of chiral 2,2‐disubstituted benzomorpholines.
Carbon Dots in Porous Materials: Host–Guest Synergy for Enhanced Performance
Authors: Zhang Hongyue , Wang Bolun , Yu Xiaowei , Li Jiyang , Shang Jin , Yu Jihong
Published: May 2020

Carbon dots (CDs) are emerging as a new class of carbon nanomaterials, which have inspired growing interest for their widespread applications in anti‐counterfeiting, sensing, bioimaging, optoelectronic and energy‐related fields. In terms of the concept of host–guest assembly, immobilizing CDs into porous materials (PMs) has proven to be an effective strategy to avoid the aggregation of bare CDs in solid state, in particular, the host—guest synergy with both merits of CDs and PMs affords composites promising properties in afterglow and tunable emissions, as well as optimizes their performance in optics, catalysis, and energy storage. This Minireview summarizes the recent progress in the research of CDs@PMs, and highlights synthetic strategies of constructing composites and roles of porous matrices in boosting the applications of CDs in diverse areas. The prospect of future exploration and challenges are proposed for designing advanced CDs‐based functional nanocomposite materials.
Holey Lamellar High‐Entropy Oxide as an Ultra‐High‐Activity Heterogeneous Catalyst for Solvent‐free Aerobic Oxidation of Benzyl Alcohol
Authors: Feng Danyang , Dong Yangbo , Zhang Liangliang , Ge Xin , Zhang Wei , Dai Sheng , Qiao Zhen‐An
Published: May 2020

The development of noble‐metal‐free heterogeneous catalysts is promising for selective oxidation of aromatic alcohols; however, the relatively low conversion of non‐noble metal catalysts under solvent‐free atmospheric conditions hinders their industrial application. Now, a holey lamellar high entropy oxide (HEO) Co0.2Ni0.2Cu0.2Mg0.2Zn0.2O material with mesoporous structure is prepared by an anchoring and merging process. The HEO has ultra‐high catalytic activity for the solvent‐free aerobic oxidation of benzyl alcohol. Up to 98 % conversion can be achieved in only 2 h, to our knowledge, the highest conversion of benzyl alcohol by oxidation to date. By regulating the catalytic reaction parameters, benzoic acid or benzaldehyde can be selectively optimized as the main product. Analytical characterizations and calculations provide a deeper insight into the catalysis mechanism, revealing abundant oxygen vacancies and holey lamellar framework contribute to the ultra‐high catalytic activity.
Catalytic, Enantioselective Sulfenofunctionalization of Alkenes: Development and Recent Advances
Authors: Matviitsuk Anastassia , Panger Jesse L. , Denmark Scott E.
Published: May 2020

The last decade has witnessed a burgeoning of new methods for the enantioselective vicinal difunctionalization of alkenes initiated by electrophilic sulfenyl group transfer. The addition of sulfenium ions to alkenes results in the generation of chiral, non‐racemic thiiranium ions. These highly reactive intermediates are susceptible to attack by a myriad of nucleophiles in a stereospecific ring‐opening event to affordanti1,2‐sulfenofunctionalized products. The practical application of sulfenium ion transfer has been enabled by advances in the field of Lewis base catalysis. This Review will chronicle the initial discovery and characterization of thiiranium ion intermediates followed by the determination of their configurational stability and the challenges of developing enantioselective variants. Once the framework for the reactivity and stability of thiiranium ions has been established, a critical analysis of pioneering studies will be presented. Finally, a comprehensive discussion of modern synthetic applications will be categorized around the type of nucleophile employed for sulfenofunctionalization.
2D Conductive Metal–Organic Frameworks: An Emerging Platform for Electrochemical Energy Storage
Authors: Liu Jingjuan , Song Xiaoyu , Zhang Ting , Liu Shiyong , Wen Herui , Chen Long
Published: May 2020

Two‐dimensional conductive metal–organic frameworks (2D c‐MOFs) as an emerging class of multifunctional materials have attracted extensive attention due to their predictable and diverse structures, intrinsic permanent porosity, high charge mobility, and excellent electrical conductivity. Such unique characteristics render them as a promising new platform for electrical related devices. This Minireview highlights the recent key progress of 2D c‐MOFs with emphasis on the design strategies, unique electrical properties, and potential applications in electrochemical energy storage. The thorough elucidation of structure–function correlations may offer a guidance for the development of 2D c‐MOFs based next‐generation energy storage devices.
Atomic‐Scale Insight into Exsolution of CoFe Alloy Nanoparticles in La0.4Sr0.6Co0.2Fe0.7Mo0.1O3−δ with Efficient CO2 Electrolysis
Authors: Lv Houfu , Liu Tianfu , Zhang Xiaomin , Song Yuefeng , Matsumoto Hiroaki , Ta Na , Zeng Chaobin , Wang Guoxiong , Bao Xinhe
Published: May 2020

In situ exsolution of metal nanoparticles in perovskite under reducing atmosphere is employed to generate a highly active metal–oxide interface for CO2 electrolysis in a solid oxide electrolysis cell. Atomic‐scale insight is provided into the exsolution of CoFe alloy nanoparticles in La0.4Sr0.6Co0.2Fe0.7Mo0.1O3−δ (LSCFM) by in situ scanning transmission electron microscopy (STEM) with energy‐dispersive X‐ray spectroscopy and DFT calculations. The doped Mo atoms occupy B sites of LSCFM, which increases the segregation energy of Co and Fe ions at B sites and improves the structural stability of LSCFM under a reducing atmosphere. In situ STEM measurements visualized sequential exsolution of Co and Fe ions, formation of CoFe alloy nanoparticles, and reversible exsolution and dissolution of CoFe alloy nanoparticles in LSCFM. The metal–oxide interface improves CO2 adsorption and activation, showing a higher CO2 electrolysis performance than the LSCFM counterparts.
Ancient Hermione revealed: the contribution of high‐performance computing and digital methods to the analysis of a hidden cityscape
Authors: Landeschi Giacomo , Lindgren Stefan , Gerding Henrik , Papadimitriou Alcestis , Wallensten Jenny
Published: May 2020

This article explores the potential of combining high‐performance computing techniques and a set of integrated digital methods to investigate the cityscape of ancient Hermione, Greece. Unmanned aerial vehicles (UAVs), terrestrial laser scanning, image‐based modelling techniques and high‐performance computing have been combined to provide a fully‐three‐dimensional (3D) representation of the city landscape, which encompasses both the topography and those still visible archaeological features, which are nowadays annexed into the modern buildings. As a consequence, the resulting geo‐located digital platform is now opening up interesting opportunities for research, such as the possibility to analyse spatial interconnections between sacred buildings, to formulate hypotheses about their location and to put them in comparison with the accounts made by historical sources. By taking advantage both of an entirely‐3D reconstruction and the analytic tools provided by geographical information systems (GISs), more sophisticated analyses can now be performed and specific issues such as visual perception and movement to and from prominent buildings/spaces can now be investigated.
Desulfurization on Boron Nitride and Boron Nitride‐based Materials
Authors: Rajendran Antony , Fan Hong‐Xia , Feng Jie , Li Wen‐Ying
Published: May 2020

Combustion of liquid fuels containing sulfur compounds is highly unfavorable due to the adverse effects caused by the resultant SOx emission. Consequently, catalytic and adsorptive materials having the capacity to eliminate the sulfur compounds from liquid fuels are very attractive. Hexagonal boron nitride (BN), with its interesting chemical and physical properties, finds applications in diverse fields, especially in energy and environmental applications. Recently, BN and BN‐based materials have gained significant interest in emerging desulfurization processes such as oxidative desulfurization and adsorptive desulfurization. In this review, BN and BN‐based materials are elaborately discussed in the context of their use in various desulfurization techniques. A brief description about the different desulfurization processes is provided at the outset. The relationship between the characteristics (the defects, morphology, porosity and surface area) of BN and desulfurization efficiency is also summarized. Furthermore, the mechanistic insights regarding the action of BN materials in the desulfurization processes are discussed. With this review, the synthetic strategies for designing the novel BN‐based catalysts/adsorbents for the effective desulfurization of liquid fuels can be grasped.
Global stability at a limit cycle for switched multi‐valued logical networks
Authors: Sun Pengfei , Zhao Xudong , Sun Tao , Xu Ning , Zong Guandeng
Published: May 2020

This paper mainly studies the problem of global stability at limit cycles for switched multi‐valued logical networks (SMLNs). Firstly, the SMLNs are converted into algebraic forms by using semi‐tensor product of matrices. Then an effective method called digital transformation is used to analyze the structural matrices of the obtained algebraic equations. Based on this method, the global stability at a certain limit cycle for SMLNs, a more general situation, is for the first time studied in this paper, and the relevant necessary and sufficient condition is derived. By dividing the structural matrices of switched multi‐valued logical control networks (SMLCNs) into several blocks, a necessary and sufficient condition for SMLCNs to be globally stabilized to a limit cycle under open‐loop control signals is provided. In addition, due to the use of digital transformations, the stability analysis method established for SMLNs and SMLCNs in this paper is sraightforward and the corresponding computational burden is quite small. Finally, two numerical examples are given to show the effectiveness of the obtained results in this work.
Development of a computational tool for designing multicomponent distillation columns
Authors: Cardoso João P. M. , Tannous Katia
Published: May 2020

The present paper aims to develop new software to simulate multicomponent distillation columns. AmProS software can help students and professionals with different areas of expertise (e.g., chemistry, and chemical, mechanical, and food engineers) to solve and understand distillation and thermodynamics problems with critical thinking. A database of 113 hydrocarbon compounds was created to make the software use more dynamic. This user‐friendly software was developed using the “V model” methodology and Visual Basic language to carry out the design and establish the operation parameters of distillation columns. The user can choose between two preprogrammed equations of state (Peng–Robinson or Soave–Redlich–Kwong) for the calculation of thermodynamic properties. Two approaches were integrated in specific modules considering Shortcut and Rigorous distillation methods obtaining good accuracy (<10%) compared to the commercial simulator. Each module shows the key equations and message logs that guide the user through the software. The results of the input parameters' effects (key components, temperature, pressure, and feed composition) in the design and rating column are shown in Excel table formats (.xlsm) as well as in pdf files. This software was applied in different courses at School of Chemical Engineering at University of Campinas for user acceptance testing. These tests showed that AmProS is intuitive, information can be effortlessly found and it is easy to use to solve complex simulations. Chemical engineering students (undergraduates and graduates) and professionals in different fields can use this tool to expand their knowledge.
Clinical and radiological characteristics of patients with pulmonary marginal zone lymphoma: A single center analysis
Authors: Husnain Muhammad , Kuker Russ , Reis Isildinha M. , Iyer Sunil Girish , Zhao Wei , Chapman Jennifer R. , Vega Francisco , Lossos Izidore S. , Alderuccio Juan Pablo
Published: May 2020

Pulmonary marginal zone lymphoma (PMZL) is the most common non‐Hodgkin lymphoma affecting the lung. PMZL is usually an indolent disease. Clinical and radiological variables associated with shorter survival are largely unknown and no consensus exists on preferred treatment strategy in PMZL. Herein we aimed to identify clinical and radiological features associated with shorter survival and inferior treatment outcomes. Forty patients with PMZL were analyzed. FDG‐avid disease was evident in most patients (93%) with staging PET/CT (n = 15). With a median follow‐up in treated patients (n = 38) of 8.4 years (range 0.07‐18.44), the median progression‐free survival (PFS) and overall survival (OS) were 7.5 years (95% CI 1.8‐9.5) and 15.7 years (95% CI 9.3‐NE) respectively. Shorter PFS was observed in patients who presented at diagnosis with elevated LDH, B symptoms, advanced stage and failed to achieve complete response (CR) after initial treatment. Patients with multifocal lung disease, extrapulmonary MZL and cavitary lesions on CT scans exhibited shorter PFS. Nevertheless, no clinical or radiologic findings were associated with shorter OS. All patients treated with surgery (n = 4) and radiation therapy (n = 3) achieved and remained in CR. No higher grade transformations occurred during the follow‐up period. PMZL exhibited excellent outcomes with a 15‐year PMZL‐related OS of 94.9% (95% CI: 81.25%‐98.7%). Radiation therapy and surgery are potentially curative strategies in localized PMZL.
New Derivatives from Microbial Transformation of ent‐Kaur‐16‐en‐19‐oic Acid by Cunninghamella echinulata
Authors: Song Chenggang , Liu Juan , Wang Haoyu , Li Xiang , Liu Bing , Zhang Mingzhe , Shan Xiaohui , Li He , Gao Jinming , Qin Jianchun
Published: May 2020

Biotransformation of ent‐kaur‐16‐en‐19‐oic acid using fungus Cunninghamella echinulata resulted in two novel hydroxylated metabolites together with five known compounds. Their structures were elucidated by means of extensive NMR and HR‐ESI‐MS data analysis. The eight compounds were measured for their cytotoxicity against the human breast carcinoma (MCF‐7) and human hepatoblastoma (HepG‐2) cell lines. Seven compounds showed no cytotoxicity to the two cell lines. One compound displayed moderate cytotoxicity against HepG‐2 and MCF‐7 with the IC50 values of 12.6 and 27.1 μM, respectively.
Enantioselective Synthesis of Planar Chiral Ferrocifens that Show Chiral Discrimination in Antiproliferative Activity on Breast Cancer Cells
Authors: Cunningham Laura , Wang Yong , Nottingham Chris , Pagsulingan Jammah , Jaouen Gérard , McGlinchey Michael J. , Guiry Patrick J.
Published: May 2020

The design and first enantioselective synthesis of a series of chiral ferrocifens and ferrociphenols was realised by enantioselective palladium‐catalysed intramolecular direct C−H bond activation followed by McMurry coupling. Biological evaluation revealed moderate anticancer activities on breast cancer cells and evidence of chiral discrimination between enantiomers. Treatment of the novel ferrocifens with Ag2O revealed that these systems are unable to form a neutral quinone methide, yet still demonstrate marked antiproliferative properties against both the hormone‐dependent MCF‐7 and hormone‐independent MDA‐MB‐231 cell lines. This bioactivity arises from two mechanisms: Fenton‐type chemistry and the anti‐estrogenic activity associated with the tamoxifen‐like structure.
Andean lupin (Lupinus mutabilis Sweet): Processing effects on chemical composition, heat damage, and in vitro protein digestibility
Authors: Córdova‐Ramos Javier S. , Glorio‐Paulet Patricia , Camarena Felix , Brandolini Andrea , Hidalgo Alyssa
Published: May 2020

Background and objective

Andean lupin (Lupinus mutabilis Sweet) has health benefits with promising possibilities for food industry. The aim of this research was to determine the effect of processing (water debittering, extrusion, and spray‐drying) on chemical composition, heat damage and in vitro protein digestibility in Andean lupin.

Findings

The processing treatment modified all the parameters while the genotype showed limited effect. The untreated lupins had high protein and lipid content (47.4 and 16.2 g/100 g dry matter). The extruded products showed higher protein content (55.7 g/100 g) and digestibility (68.1%) than the untreated lupins, along with limited heat damage (8.7 mg furosine/100 g protein). Spray‐drying led to the lowest protein content (31.8 g/100 g) and, when maltodextrin was used, the highest heat damage (54.1 ± 20.7 mg furosine/100 g protein; 0.60 mg hydroxymethylfurfural/kg; 0.58 mg glycosylisomaltol/kg), but also to the maximum protein digestibility (72.8%–74.0%).

Conclusions

The chemical composition of Andean lupin was improved by the technological treatments (debittering, extrusion, and spray‐drying) applied. Processing enhanced nutritional value and digestibility, without inducing relevant heat damage.

Significance and novelty

Extrusion and spray‐drying improve the in vitro protein digestibility of Andean lupin flour causing limited heat damage.
Tunnel’ radicular cyst and its management with root canal treatment and periapical surgery: A case report
Authors: Nik Abdul Ghani Nik Rozainah , Abdul Hamid Nor Faharina , Karobari Mohmed Isaqali
Published: May 2020

An untreated root canal infection usually stimulates the development of a radicular cyst. Nonsurgical root canal procedures and periapical surgery followed by placement of bone substitute will promote the healing process of the bony defect.
Spontaneous porto‐femoral shunting in long‐standing portal hypertension
Authors: Giuffrè Mauro , Martingano Paola , Crocè Lory Saveria
Published: May 2020

Spontaneous portosystemic shunting is a compensation mechanism that is supposed to relieve the portal circulation from high pressures. Here we report an unusual shunt that originates from a patent paraumbilical vein and reaches the femoral vein via the inferior epigastric vein. Despite being merely anecdotal, this finding is fascinating from an anatomical point of view.
Association of olfactory neuropathy spectrum disorder and Wolff‐Parkinson‐White syndrome: A Report of a case
Authors: Gore Mitchell R.
Published: May 2020

Olfactory neuropathy spectrum disorder is characterized by hyposmia or anosmia and hypoplastic or absent olfactory bulbs. There may be an association between olfactory neuropathy spectrum disorder and Wolff‐Parkinson‐White syndrome.
Enhancing the Activity of Drugs by Conjugation to Organometallic Fragments
Authors: Chellan Prinessa , Sadler Peter J.
Published: May 2020

Resistance to chemotherapy is a current clinical problem, especially in the treatment of microbial infections and cancer. One strategy to overcome this is to make new derivatives of existing drugs by conjugation to organometallic fragments, either by an appropriate linker, or by direct coordination of the drug to a metal. We illustrate this with examples of conjugated organometallic metallocene sandwich and half‐sandwich complexes, RuII and OsII arene, and RhIII and IrIII cyclopentadienyl half‐sandwich complexes. Ferrocene conjugates are particularly promising. The ferrocene–chloroquine conjugate ferroquine is in clinical trials for malaria treatment, and a ferrocene‐tamoxifen derivative (a ferrocifen) seems likely to enter anticancer trails soon. Several other examples illustrate that organometallic conjugation can restore the activity of drugs to which resistance has developed.
Highly Efficient Transfer Hydrogenation Catalysis with Tailored Pyridylidene Amide Pincer Ruthenium Complexes
Authors: Melle Philipp , Thiede Jan , Hey Daniela A. , Albrecht Martin
Published: May 2020

The rational optimization of homogeneous catalysts requires ligand platforms that are easily tailored to improve catalytic performance. Here, it is demonstrated that pyridylidene amides (PYAs) provide such a platform to custom‐shape transfer hydrogenation catalysts with exceptional activity. Specifically, a series of meta‐PYA pincer ligands with differently substituted PYA units has been synthezised and coordinated to ruthenium(II) centres to form bench‐stable tris‐acetonitrile complexes [Ru(R‐PYA‐pincer)(MeCN)3](PF6)2 (R=OMe, Me, H, Cl, CF3). Analytic studies including 1H NMR spectroscopy, cyclic voltammetry, and X‐ray crystallography reveal a direct influence of the substituents on the electronic properties of the ruthenium center. The complexes are active in the catalytic transfer hydrogenation of ketones, with activities directly encoded by the PYA substitution pattern. Their perfomance improves further upon exchange of an ancillary MeCN ligand with PPh3. While complexes [Ru(R‐PYA‐pincer)(PPh3)(MeCN)2](PF6)2 were only isolated for R=H, Me, an in situ protocol was developed to generate these complexes in situ for R=OMe, Cl, CF3 by using a 1:2 ratio of the complexes and PPh3. This in situ protocol together with a short catalyst pre‐activation provided highly active catalytic systems. The most active pre‐catalyst featured the methoxy‐substituted PYA ligand and reached turnover frenquencies of 210 000 h−1 under an exceptionally low catalyst loading of 25 ppm for the benchmark substrate benzophenone, representing one of the most active transfer hydrogenation systems known to date.
Palladium‐Catalyzed Annulation of Acyl Fluorides with Norbornene via Decarbonylation and CO Reinsertion
Authors: Sakurai Yuka , Ogiwara Yohei , Sakai Norio
Published: May 2020

A palladium‐catalyzed annulation of acyl fluorides with norbornene is described. This study reports the first example of an annulation of acyl fluorides in the presence of a transition‐metal catalyst. Polycyclic ketones are obtained from the cleavage of the C−F and C−H bonds of the acyl fluoride and the rearrangement of the carbonyl moiety by decarbonylation and CO reinsertion.
Tracking the Light‐Induced Excited‐State Dynamics and Structural Configurations of an Extraordinarily Long‐Lived Metastable State at Room Temperature
Authors: Iglesias Sirma , Gamonal Arturo , Abudulimu Abasi , Picón Antonio , Carrasco Esther , Écija David , Liu Cunming , Luer Larry , Zhang Xiaoyi , Costa José Sánchez , Moonshiram Dooshaye
Published: May 2020

Time‐resolved X‐ray (Tr‐XAS) and optical transient absorption (OTA) spectroscopy on the pico‐microsecond timescale coupled with density functional theory calculations are applied to study the light‐induced spin crossover processes of a Fe‐based macrocyclic complex in solution. Tr‐XAS analysis after light illumination shows the formation of a seven‐coordinated high‐spin quintet metastable state, which relaxes to a six‐coordinated high‐spin configuration before decaying to the ground state. Kinetic analysis of the macrocyclic complex reveals an unprecedented long‐lived decay lifetime of approximately 42.6 μs. Comparative studies with a non‐macrocyclic counterpart illustrate a significantly shortened approximately 568‐fold decay lifetime of about 75 ns, and highlight the importance of the ligand arrangement in stabilizing the reactivity of the excited state. Lastly, OTA analysis shows the seven‐coordinated high‐spin state to be formed within approximately 6.2 ps. These findings provide a complete understanding of the spin crossover reaction and relaxation pathways of the macrocyclic complex, and reveal the importance of a flexible coordination environment for their rational design.
DNA‐Targeted NO Release Photoregulated by Green Light
Authors: Parisi Cristina , Fraix Aurore , Guglielmo Stefano , Spyrakis Francesca , Rolando Barbara , Lazzarato Loretta , Fruttero Roberta , Gasco Alberto , Sortino Salvatore
Published: May 2020

A novel molecular hybrid has been designed and synthesized in which acridine orange (AO) is covalently linked to an N‐nitrosoaniline derivative through an alkyl spacer. Photoexcitation of the AO antenna with the highly biocompatible green light results in intense fluorescence emission and triggers NO detachment from the N‐nitroso appendage via an intramolecular electron transfer. The presence of the AO moiety encourages the binding with DNA through both external and partially intercalative fashions, depending on the DNA:molecular hybrid molar ratio. Importantly, this dual‐mode binding interaction with the biopolymer does not preclude the NO photoreleasing performances of the molecular hybrid, permitting NO to be photogenerated nearby DNA with an efficiency similar to that of the free molecule. These properties make the presented compound an intriguing candidate for fundamental and potential applicative research studies where NO delivery in the DNA proximity precisely regulated by harmless green light is required.
The Significance of Metal Coordination in Imidazole‐Functionalized Metal–Organic Frameworks for Carbon Dioxide Utilization
Authors: Webb William R. , Potter Matthew E. , Stewart Daniel J. , Elliott Stuart J. , Sazio Pier J. A. , Zhang Zhongxing , Luo He‐Kuan , Teng Jinghua , Zhang Liling , Ivaldi Chiara , Miletto Ivana , Gianotti Enrica , Raja Robert
Published: May 2020

The grafting of imidazole species onto coordinatively unsaturated sites within metal–organic framework MIL‐101(Cr) enables enhanced CO2 capture in close proximity to catalytic sites. The subsequent combination of CO2 and epoxide binding sites, as shown through theoretical findings, significantly improves the rate of cyclic carbonate formation, producing a highly active CO2 utilization catalyst. An array of spectroscopic investigations, in combination with theoretical calculations reveal the nature of the active sites and associated catalytic mechanism which validates the careful design of the hybrid MIL‐101(Cr).
Atomically Precise Alloy Nanoclusters
Authors: Kawawaki Tokuhisa , Imai Yukari , Suzuki Daiki , Kato Shun , Kobayashi Ibuki , Suzuki Taiyo , Kaneko Ryo , Hossain Sakiat , Negishi Yuichi
Published: May 2020

Metal nanoclusters (NCs) have a particle size of about one nanometer, which makes them the smallest unit that can give a function to a substance. In addition, metal NCs possess physical and chemical properties that are different from those of the corresponding bulk metals. Metal NCs with such characteristics are expected to be important for use in nanotechnology. Research on the precise synthesis of metal NCs and elucidation of their physical/chemical properties and functions is being actively conducted. When metal NCs are alloyed, it is possible to obtain further various electronic and geometrical structures and functions. Thus, research on alloy NCs has become a hot topic in the study of metal NCs and the number of publications on alloy NCs has increased explosively in recent years. Such publications have provided much insight into the effects of alloying on the electronic structure and function of metal NCs. However, the rapid increase in knowledge has made it difficult for researchers (especially those new to the field) to grasp all of it. Therefore, in this review, we summarize the reported chemical composition, geometrical structure, electronic structure, and physical and chemical properties of Aun−xMx(SR)m, Agn−xMx(SR)m, Aun−xMx(PR3)l(SR)m, and Agn−xMx(PR3)l(SR)m (Au=gold, Ag=silver, M=heteroatom, PR3=phosphine, and SR=thiolate) NCs. This review is expected to help researchers understand the characteristics of alloy NCs and lead to clear design guidelines to develop new alloy NCs with intended functions.
Straightforward and Controlled Synthesis of Porphyrin–Phthalocyanine–Porphyrin Heteroleptic Triple‐Decker Assemblies
Authors: González‐Lucas Daniel , Soobrattee Shazia C. , Hughes David L. , Tizzard Graham J. , Coles Simon J. , Cammidge Andrew N.
Published: May 2020

A versatile and straightforward protocol is disclosed for controlled synthesis of complex lanthanide‐bridged heteroleptic porphyrin–phthalocyanine triple‐decker assemblies. Two porphyrins, linked by a flexible spacer chain of intermediate length, sequentially capture lanthanide ions and a phthalocyanine to efficiently form the triple‐decker complex. The bridge directs assembly, but also controls the mobility of the central macrocycle and further imparts a fully eclipsed arrangement of all three rings.
Nectin‐2α is localized at cholinergic neuron dendrites and regulates synapse formation in the medial habenula
Authors: Shiotani Hajime , Miyata Muneaki , Kameyama Takeshi , Mandai Kenji , Yamasaki Miwako , Watanabe Masahiko , Mizutani Kiyohito , Takai Yoshimi
Published: May 2020

The medial habenula (MHb) receives afferents from the triangular septum and the medial septal complex, projects efferents to the interpeduncular nucleus (IPN) in the midbrain to regulate dopamine and serotonin levels, and is implicated in stress, depression, memory, and nicotine withdrawal syndrome. We previously showed that the cell adhesion molecule nectin‐2α is localized at the boundary between adjacent somata of clustered cholinergic neurons and regulates the voltage‐gated A‐type K+ channel Kv4.2 localization at membrane specializations in the MHb. This adhesion apparatus, named nectin‐2α spots, is not associated with the nectin‐binding protein afadin or any classic cadherins and their binding proteins p120‐catenin and β‐catenin. We showed here that nectin‐2α was additionally localized at cholinergic neuron dendrites in synaptic regions of the MHb. The genetic ablation of nectin‐2 reduced the number of synapses in the MHb without affecting their morphology. Nectin‐2α was associated with afadin, cadherin‐8, p120‐catenin, β‐catenin, and αN‐catenin, forming puncta adherentia junctions (PAJs). Nectin‐2α was observed in the IPN, but not in the triangular septum or the medial septal complex. The genetic ablation of nectin‐2 did not affect synapse formation in the IPN. These results indicate that nectin‐2α forms two types of adhesion apparatus in the MHb, namely nectin‐2α spots at neighboring somata and PAJs at neighboring dendrites, and that dendritic PAJs regulate synapse formation in the MHb.
Molecular Dynamics Simulation of Small Molecules Interacting with Biological Membranes
Authors: Martinotti Carlo , Ruiz‐Perez Lanie , Deplazes Evelyne , Mancera Ricardo L.
Published: May 2020

Cell membranes protect and compartmentalise cells and their organelles. The semi‐permeable nature of these membranes controls the exchange of solutes across their structure. Characterising the interaction of small molecules with biological membranes is critical to understanding of physiological processes, drug action and permeation, and many biotechnological applications. This review provides an overview of how molecular simulations are used to study the interaction of small molecules with biological membranes, with a particular focus on the interactions of water, organic compounds, drugs and short peptides with models of plasma cell membrane and stratum corneum lipid bilayers. This review will not delve on other types of membranes which might have different composition and arrangement, such as thylakoid or mitochondrial membranes. The application of unbiased molecular dynamics simulations and enhanced sampling methods such as umbrella sampling, metadynamics and replica exchange are described using key examples. This review demonstrates how state‐of‐the‐art molecular simulations have been used successfully to describe the mechanism of binding and permeation of small molecules with biological membranes, as well as associated changes to the structure and dynamics of these membranes. The review concludes with an outlook on future directions in this field.
Changing conditions for teachers’ knowledge work: new actor constellations and responsibilities
Authors: Tronsmo Eli
Published: May 2020

In a time of strong focus on school development, teachers’ work is increasingly linked to a variety of actors, organisations and stakeholders with different agendas and suggestions for school improvements. This paper explores the different actor constellations that teachers engage with in collaborative knowledge work and the opportunities and constraints such engagements entail. By drawing on ethnographic methods, teams of teachers from one lower secondary school in Norway assigned to developing a local curriculum were followed closely across sites over a year. The analysis, which employs resources from assemblage thinking (AT), shows how new actor constellations spatially relocate teachers’ work in ways that extend their professional roles and responsibilities. The findings also reveal that such work is epistemically demanding because it requires comprehensive collective negotiations and investigative activities from the teachers. The analysis foregrounds insights that contribute to our understanding of changing conditions for knowledge work in the teaching profession.
In response: Diabetes is a risk factor for the progression and prognosis of COVID‐19
Authors: Blanke Charles D.
Published: May 2020

The article cited does not differentiate between Type I and Type II diabetes. More information is needed to properly assess risk.
Discrimination of legal and illegal Cannabis spp. according to European legislation using near infrared spectroscopy and chemometrics
Authors: Duchateau Céline , Kauffmann Jean‐Michel , Canfyn Michaël , Stévigny Caroline , De Braekeleer Kris , Deconinck Eric
Published: May 2020

Aerial parts containing cannabidiol can be purchased in a legal way but cannabis used as recreational drug is illegal in most European countries. Δ9‐tetrahydrocannabinol is one of the main cannabinoids responsible for the psychotropic effect. European Union countries and Switzerland authorize a concentration of THC of 0.2 % and 1.0 % w/w, respectively, for smoking products and industrial hemp. Public health inspectors and law enforcement officers need to check the legality of samples. Therefore there is a need for innovative approaches, allowing quality control of these products in an easy way and preferably on site. In many countries, cultivation of industrial hemp is permitted if the THC content does not exceed 0.2 % w/w. A portable equipment could be a useful measuring tool for farmers to check for the THC content at regular time. In this work, 189 samples were analysed with a benchtop and a handheld NIR device in order to create two classification methods according to European and Swiss laws. All samples were also analysed by GC‐FID to determine their THC concentration. Supervised analysis was applied in order to establish the best model. For the first classification, the accuracy was 91% for the test set with the benchtop data and 93 % for the test set with the handheld data. For the second classification, the accuracies were respectively 91 % and 95 %. The obtained models, hyphenating spectroscopic techniques and chemometrics, enable to discriminate legal and illegal cannabis samples according to European and Swiss laws.
Suitable habitat of wild Asian elephant in Western Terai of Nepal
Authors: Sharma Purushottam , Panthi Saroj , Yadav Subodh Kumar , Bhatta Manoj , Karki Ajay , Duncan Tom , Poudel Megharaj , Acharya Krishna Prasad
Published: May 2020

Background

There is currently very little available research on the habitat suitability, the influence of infrastructure on distribution, and the extent and connectivity of habitat available to the wild Asian elephant (Elephas maximus). Information related to the habitat is crucial for conservation of this species.

Methods

In this study, we identified suitable habitat for wild Asian elephants in the Western Terai region of Nepal using Maximum Entropy (MaxEnt) software.

Results

Of 9,207 km2, we identified 3194.82 km2 as suitable habitat for wild Asian elephants in the study area. Approximately 40% of identified habitat occurs in existing protected areas. Most of these habitat patches are smaller than previous estimations of the species home range, and this may reduce the probability of the species continued survival in the study area. Proximity to roads was identified as the most important factor defining habitat suitability, with elephants preferring habitats far from roads.

Conclusions

We conclude that further habitat fragmentation in the study area can be reduced by avoiding the construction of new roads and connectivity between areas of existing suitable habitat can be increased through the identification and management of wildlife corridors between habitat patches.
Comparison of spleen transcriptomes of two wild rodent species reveals differences in the immune response against Borrelia afzelii
Authors: Zhong Xiuqin , Lundberg Max , Råberg Lars
Published: May 2020

Different host species often differ considerably in susceptibility to a given pathogen, but the causes of such differences are rarely known. The natural hosts of the tick‐transmitted bacterium Borrelia afzelii, which is one of causative agents of Lyme borreliosis in humans, include a variety of small mammals like voles and mice. Previous studies have shown that B. afzelii‐infected bank voles (Myodes glareolus) have about ten times higher bacterial load than infected yellow‐necked mice (Apodemus flavicollis), indicating that these two species differ in resistance. In this study, we compared the immune response to B. afzelii infection in these host species by using RNA sequencing to quantify gene expression in spleen. Gene set enrichment analysis (GSEA) showed that several immune pathways were down‐regulated in infected animals in both bank voles and yellow‐necked mice. Moreover, IFNα response was up‐regulated in B. afzelii‐infected yellow‐necked mice, while IL6 signaling and the complement pathway were down‐regulated in infected bank voles; differences in regulation of these three pathways between bank voles and yellow‐necked mice could thus contribute to the difference in resistance to B. afzelii between the species. This study provides knowledge of gene expression induced by a zoonotic pathogen in its natural host, and possible species‐specific regulation of immune responses associated with resistance.