bluuebunny/crossref_metadata_2025 huggingface dataset:
Dynamic DNA Assemblies in Biomedical Applications
Authors: Hu Yaqin , Wang Ying , Yan Jianhua , Wen Nachuan , Xiong Hongjie , Cai Shundong , He Qunye , Peng Dongming , Liu Zhenbao , Liu Yanfei
Published: June 2020

Deoxyribonucleic acid (DNA) has been widely used to construct homogeneous structures with increasing complexity for biological and biomedical applications due to their powerful functionalities. Especially, dynamic DNA assemblies (DDAs) have demonstrated the ability to simulate molecular motions and fluctuations in bionic systems. DDAs, including DNA robots, DNA probes, DNA nanochannels, DNA templates, etc., can perform structural transformations or predictable behaviors in response to corresponding stimuli and show potential in the fields of single molecule sensing, drug delivery, molecular assembly, etc. A wave of exploration of the principles in designing and usage of DDAs has occurred, however, knowledge on these concepts is still limited. Although some previous reviews have been reported, systematic and detailed reviews are rare. To achieve a better understanding of the mechanisms in DDAs, herein, the recent progress on the fundamental principles regarding DDAs and their applications are summarized. The relative assembly principles and computer‐aided software for their designing are introduced. The advantages and disadvantages of each software are discussed. The motional mechanisms of the DDAs are classified into exogenous and endogenous stimuli‐triggered responses. The special dynamic behaviors of DDAs in biomedical applications are also summarized. Moreover, the current challenges and future directions of DDAs are proposed.
Antiphase Boundaries as Faceted Metallic Wires in 2D Transition Metal Dichalcogenides
Authors: Kim Jung Hwa , Kim Se‐Yang , Park Sung O. , Jung Gwan Yeong , Song Seunguk , Sohn Ahrum , Kim Sang‐Woo , Kwak Sang Kyu , Kwon Soon‐Yong , Lee Zonghoon
Published: June 2020

Antiphase boundaries (APBs) in 2D transition metal dichalcogenides have attracted wide interest as 1D metallic wires embedded in a semiconducting matrix, which could be exploited in fully 2D‐integrated circuits. Here, the anisotropic morphologies of APBs (i.e., linear and saw‐toothed APBs) in the nanoscale are investigated. The experimental and computational results show that despite their anisotropic nanoscale morphologies, all APBs adopt a predominantly chalcogen‐oriented dense structure to maintain the energetically most stable atomic configuration. Moreover, the effect of the nanoscale morphology of an APB on electron transport from two‐probe field effect transistor measurements is investigated. A saw‐toothed APB has a considerably lower electron mobility than a linear APB, indicating that kinks between facets are the main factors of scattering. The observations contribute to the systematical understanding of the faceted APBs and its impact on electrical transport behavior and it could potentially extend the applications of 2D materials through defect engineering to achieve the desired properties.
Modeling and Simulation of Flow Batteries
Authors: Esan Oladapo Christopher , Shi Xingyi , Pan Zhefei , Huo Xiaoyu , An Liang , Zhao T.S.
Published: June 2020

Flow batteries have received extensive recognition for large‐scale energy storage such as connection to the electricity grid, due to their intriguing features and advantages including their simple structure and principles, long operation life, fast response, and inbuilt safety. Market penetration of this technology, however, is still hindered by some critical issues such as electroactive species crossover and its corresponding capacity loss, undesirable side reactions, scale‐up and optimization of structural geometries at different scales, and battery operating conditions. Overcoming these remaining challenges requires a comprehensive understanding of the interrelated structural design parameters and the multivariable operations within the battery system. Numerical modeling and simulation are effective tools not only for gaining an understanding of the underlying mechanisms at different spatial and time scales of flow batteries but also for cost‐effective optimization of reaction interfaces, battery components, and the entire system. Here, the research and development progress in modeling and simulation of flow batteries is presented. In addition to the most studied all‐vanadium redox flow batteries, the modelling and simulation efforts made for other types of flow battery are also discussed. Finally, perspectives for future directions on model development for flow batteries, particularly for the ones with limited model‐based studies are highlighted.
Phosphine‐Catalyzed δ‐Addition Reaction of γ‐Substituted Allenoates with Isatin Derivatives
Authors: Wu Lulu , Chen Kaihong , Huang You , Li Er‐Qing
Published: June 2020

A novel phosphine‐catalyzed δ‐addition reaction between allenoates and isatin derivatives has been developed. In this reaction, γ‐substituted allenoates were used as a novel C1 synthon to produce oxindole derivatives in good yields and highly diastereoselectivities. Based on the previous mechanistic studies, a proposed phosphine‐catalyzed δ‐addition reaction has been outlined.
Odontochronologies in male and female mandrills (Mandrillus sphinx) and the development of dental sexual dimorphism
Authors: Dirks Wendy , Lemmers Simone A. M. , Ngoubangoye Barthélémy , Herbert Anaïs , Setchell Joanna M.
Published: June 2020

Objectives

We examine how dental sexual dimorphism develops in mandrills, an extremely sexually dimorphic primate. We aimed to (a) establish the chronology of dental development (odontochronology) in male and female mandrills, (b) understand interindividual and intersex variation in odontochronologies, and (c) determine how dental sexual dimorphism is achieved.

Materials and Methods

We prepared histological ground sections from the permanent teeth of four female and four male mandrills from the semi‐free ranging colony at the Centre International de Recherches Médicales, Franceville, Gabon. We used the microscopic growth increments in the sections to create odontochronologies. We compared ages at crown initiation, crown formation times (CFT) and crown extension rates (CER) between individuals and sexes to assess interindividual and intersex variation.

Results

All mandrill teeth are sexually dimorphic in size. Dental sexual dimorphism in mandrills is achieved via sex differences in the duration of growth (bimaturism) and in growth rates. We also found interindividual and intersex variation in the ages at initiation and completion of crown formation.

Discussion

Our results show that the rate of ameloblast differentiation varies between individuals and that selection for both the age at tooth initiation and CER has occurred independently in males and females to ensure that the teeth develop at appropriate times relative to the growth of the sexually dimorphic jaws. They also show that canine dimorphism is achieved through differences in both CER and CFT, unlike extant great apes or Cantius. Given at least three mechanisms for achieving canine dimorphism, we need more information to trace the evolution of this trait in primates.
Strain‐Gradient‐Induced Modulation of Carrier Density and Mobility at the LaAlO3/SrTiO3 Heterointerface
Authors: Zhang Zhe , Jiang Weimin , Liu Kejian , Liu Mingrui , Meng Jianchao , Wu Lingyan , Shao Tingna , Ling Jingzhuo , Yao Chunli , Xiong Changmin , Dou Ruifen , Nie Jiacai
Published: June 2020

A strain gradient induced by mechanical bending on a SrTiO3 substrate is demonstrated, and has a pronounced influence on the carrier density and mobility of the interfacial 2D electron gas at the LaAlO3/SrTiO3 heterointerface. Tensile and compressive strain gradients represent two states of upward and downward bending. Under the tensile strain gradient, the carrier density decreases and the mobility has about 200% increase. Conversely, under the compressive strain gradient, the mobility decreases and the carrier density increases by up to 107%. These results demonstrate a range of opportunities to modulate the carrier density and mobility at oxide heterointerface and open up a promising way for further research on application of oxide devices.
Synthesis of Acylboron Compounds
Authors: Wu Dino , Taguchi Jumpei , Tanriver Matthias , Bode Jeffrey W.
Published: June 2020

Acylboron compounds are emerging as versatile functional groups with applications in multiple research fields. Their synthesis, however, is still challenging and requires innovative methods. This Minireview provides an overview on the obstacles of acylboron synthesis and highlights notable advances within the last three years on new strategies to overcome the challenges posed by the formation of acyl–boron bonds.
Pd‐Senphos Catalyzed trans‐Selective Cyanoboration of 1,3‐Enynes
Authors: Zhang Yuanzhe , Li Bo , Liu Shih‐Yuan
Published: June 2020

The first trans‐selective cyanoboration reaction of an alkyne, specifically a 1,3‐enyne, is described. The reported palladium‐catalyzed cyanoboration of 1,3‐enynes is site‐, regio‐, and diastereoselective, and is uniquely enabled by the 1,4‐azaborine‐based Senphos ligand structure. Tetra‐substituted alkenyl nitriles are obtained providing useful boron‐dienenitrile building blocks that can be further functionalized. The utility of our method has been demonstrated with the synthesis of Satigrel, an anti‐platelet aggregating agent.
Unilateral fluorierte Acene: Synthese und Festkörpereigenschaften
Authors: Hofmann Philipp E. , Tripp Matthias W. , Bischof Daniel , Grell Yvonne , Schiller Anna L. C. , Breuer Tobias , Ivlev Sergei I. , Witte Gregor , Koert Ulrich
Published: June 2020

Die rasche Entwicklung der organischen Elektronik hängt eng mit der Verfügbarkeit molekularer Materialien mit spezifischen elektronischen Eigenschaften zusammen. Hier stellen wir einen neuen Syntheseweg vor, der eine unilaterale Funktionalisierung von Acenen entlang ihrer langen Seite ermöglicht. Dies wird durch die Synthese von 1,2,10,11,12,14‐Hexafluorpentacen (1) und dem verwandten 1,2,9,10,11‐Pentafluortetracen (2) demonstriert. Quantenchemische DFT‐Rechnungen in Kombination mit optischen und röntgenabsorptionsspektroskopischen Daten zeigen, dass die einzelnen molekularen Eigenschaften von 1 ein Bindeglied zwischen den organischen Halbleitermodellsystemen Pentacen (PEN) und Perfluorpentacen (PFP) darstellen. Im Gegensatz dazu zeigt die Kristallstrukturanalyse ein anderes Packungsmotiv als für diese beiden Referenzmoleküle, was mit unterschiedlichen F⋅⋅⋅H‐Wechselwirkungen in Verbindung gebracht werden kann, die in einer Hirshfeld‐Oberflächenanalyse identifiziert wurden und auch Festkörpereigenschaften wie die Exzitonenbindungsenergie und die Sublimationsenthalpie beeinflussen.
Late‐Stage Peptide Macrocyclization by Palladium‐Catalyzed Site‐Selective C−H Olefination of Tryptophan
Authors: Bai Zengbing , Cai Chuangxu , Sheng Wangjian , Ren Yuxiang , Wang Huan
Published: June 2020

Transition‐metal‐catalyzed C−H activation has shown potential in the functionalization of peptides with expanded structural diversity. Herein, the development of late‐stage peptide macrocyclization methods by palladium‐catalyzed site‐selective C(sp2)−H olefination of tryptophan residues at the C2 and C4 positions is reported. This strategy utilizes the peptide backbone as endogenous directing groups and provides access to peptide macrocycles with unique Trp–alkene crosslinks.
Mutant‐Selective Allosteric EGFR Degraders are Effective Against a Broad Range of Drug‐Resistant Mutations
Authors: Jang Jaebong , To Ciric , De Clercq Dries J. H. , Park Eunyoung , Ponthier Charles M. , Shin Bo Hee , Mushajiang Mierzhati , Nowak Radosław P. , Fischer Eric S. , Eck Michael J. , Jänne Pasi A. , Gray Nathanael S.
Published: June 2020

Targeting epidermal growth factor receptor (EGFR) through an allosteric mechanism provides a potential therapeutic strategy to overcome drug‐resistant EGFR mutations that emerge within the ATP binding site. Here, we develop an allosteric EGFR degrader, DDC‐01‐163, which can selectively inhibit the proliferation of L858R/T790M (L/T) mutant Ba/F3 cells while leaving wildtype EGFR Ba/F3 cells unaffected. DDC‐01‐163 is also effective against osimertinib‐resistant cells with L/T/C797S and L/T/L718Q EGFR mutations. When combined with an ATP‐site EGFR inhibitor, osimertinib, the anti‐proliferative activity of DDC‐01‐163 against L858R/T790M EGFR‐Ba/F3 cells is enhanced. Collectively, DDC‐01‐163 is a promising allosteric EGFR degrader with selective activity against various clinically relevant EGFR mutants as a single agent and when combined with an ATP‐site inhibitor. Our data suggests that targeted protein degradation is a promising drug development approach for mutant EGFR.
Synthesis and Post‐Synthesis Transformation of Germanosilicate Zeolites
Authors: Opanasenko Maksym , Shamzhy Mariya , Wang Yunzheng , Yan Wenfu , Nachtigall Petr , Čejka Jiří
Published: June 2020

Zeolites are one of the most important heterogeneous catalysts, with a high number of large‐scale industrial applications. While the synthesis of new zeolites remain rather limited, introduction of germanium has substantially increased our ability to not only direct the synthesis of zeolites but also to convert them into new materials post‐synthetically. The smaller Ge‐O‐Ge angles (vs. Si‐O‐Si) and lability of the Ge−O bonds in aqueous solutions account for this behaviour. This Minireview discusses critical aspects of germanosilicate synthesis and their post‐synthesis transformations to porous materials.
Synthesis, characterization, DNA binding/cleavage, and anticancer and antimicrobial activities: Nano‐sized Co(II) and Cd(II) complexes and their use as a precursor for CoO and CdO nanoparticles
Authors: Alothman Asma A. , Ammar Reda A.A.
Published: June 2020

In the search of effective bioactive compounds, Co(II) (C1) and Cd(II) (C2) complexes of the type [M(FMAPIMP)(H2O)Cl].nH2O (where M = Co(II); n = 2, Cd(II); n = 3, and FMAPIMP = ligand[2‐((E)‐((2‐(((E)‐furan‐2‐ylmethylene)amino)phenyl)imino)methyl)phenol]) were synthesized and characterized using elemental analysis, UV–Vis., cyclic voltammetry, Fourier‐transform infrared (FT‐IR), nuclear magnetic resonance, and mass spectral studies. The thermal stability of nano‐sized Co(II) and Cd(II) complexes was studied using thermogravimetric analysis (TGA). Cobalt and cadmium oxides were synthesized using cobalt and cadmium nanoparticle (NP) structure Schiff base complexes as the raw material after calcination for 5 h at 600 °C. According to the results, Co(II) and Cd(II) complexes with mole ratio 1:1 of metal: H‐FMAPIMP which octahedral are the most probable geometry for it. On the contrary, synthesized C1 and C2 NPs were used as suitable precursors for the preparation of CoO and CdO NPs. The obtained NPs were characterized using FT‐IR, UV–Vis., TGA, powder X‐ray diffraction (PXRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and atomic force microscopy techniques. PXRD analysis revealed that the obtained oxides were crystalline and corresponded to CoO and CdO phases. Crystal size, shape, and morphology were determined using SEM and TEM. H‐FMAPIMP and its two complexes (C1 and C2) were tested against human ovarian cancer cell line (PA‐1). The synthesized Co(II) and Cd(II) complexes exhibited enhanced activity against the tested bacterial (Staphylococcus aureus and Escherichia Coli) and fungal strains (Candida albicans and Aspergillus fumigatus) as compared to H‐FMAPIMP. The results of the DNA‐cleavage activity indicated that the ligand and its two complexes can cleave calf thymus‐DNA at different degrees. Further, antituberculosis activity was performed using microplate alamarBlue assay. Among all these synthesized compounds, C1 exhibited good cleaving ability compared to the newly synthesized C2. Finally, the geometry of H‐FMAPIMP and its Co(II) and Cd(II) complexes was optimized using molecular modeling.
A turn‐on fluorescence strategy for biothiols determination by blocking Hg(II)‐mediated fluorescence quenching of adenine‐rich DNA‐templated gold nanoclusters
Authors: Wang Hai‐Bo , Mao An‐Li , Li Yong‐Hong , Gan Tian , Liu Yan‐Ming
Published: June 2020

Fluorescent adenine (A)‐rich DNA‐templated gold nanoclusters were demonstrated to be a novel probe for determination of biothiols (including cysteine, glutathione, and homocysteine). Fluorescence intensity of adenine‐rich DNA‐templated gold nanoclusters could be greatly quenched by Hg(II) ions through the formation of a gold nanoclusters–Hg(II) system. When biothiols (cysteine as the model) were introduced into the system, the fluorescence intensity recovered due to the formation of a more stable Hg(II)‐thiol coordination complex using Hg‐S metal–ligand bonds, which inhibited the Hg(II)‐mediated fluorescence quenching of adenine‐rich DNA‐templated gold nanoclusters. Based on this fluorescence phenomenon, an on–off–on fluorescence strategy was designed for the sensitive determination of biothiols. The method allowed sensitive detection of cysteine with a linear detection range from 100 nM to 5 μM and a limit of detection of 30 nM. Additionally, the assay can be applied for detection of biothiol levels in human plasma samples. Therefore, it can provide a simple and rapid fluorescent platform for biothiol detection.
Computer graphics simulation of natural mummification by desiccation
Authors: Frerichs Dhana , Vidler Andrew , Gatzidis Christos
Published: June 2020

Organic bodies are subject to internal processes after death, causing significant structural, and optical changes. Mummification by desiccation leads to volume shrinkage, skin wrinkling, and discoloration. We propose a method to simulate the process of mummification by desiccation and its effects on the corpse's morphology and appearance. The mummifying body is represented by a layered model consisting of a tetrahedral mesh, representing the volume, plus a high resolution triangle surface mesh representing the skin. The finite element method is used to solve the moisture diffusion and the resulting volume deformations. Skin wrinkling is achieved using position based dynamics. In order to model a visually believable reproduction of the skin coloration changes due to mummification, a skin shading approach is used that considers moisture content, hemoglobin content, and oxygen saturation. The main focus of the work in this article is to recreate the appearance changes of mummification by desiccation, which, to the best of our knowledge, has not been attempted before in computer graphics to this level of realism. The suggested approach is able to model changes in the internal structure and the surface appearance of the body which resemble the postmortem processes of natural mummification by desiccation.
Tumor‐Suppressor p53TAD1–60 Forms a Fuzzy Complex with Metastasis‐Associated S100A4: Structural Insights and Dynamics by an NMR/MD Approach
Authors: Dudás Erika F. , Pálfy Gyula , Menyhárd Dóra K. , Sebák Fanni , Ecsédi Péter , Nyitray László , Bodor Andrea
Published: June 2020

Conformationally flexible protein complexes represent a major challenge for structural and dynamical studies. We present herein a method based on a hybrid NMR/MD approach to characterize the complex formed between the disordered p53TAD1–60 and the metastasis‐associated S100A4. Disorder‐to‐order transitions of both TAD1 and TAD2 subdomains upon interaction is detected. Still, p53TAD1–60 remains highly flexible in the bound form, with residues L26, M40, and W53 being anchored to identical hydrophobic pockets of the S100A4 monomer chains. In the resulting “fuzzy” complex, the clamp‐like binding of p53TAD1–60 relies on specific hydrophobic anchors and on the existence of extended flexible segments. Our results demonstrate that structural and dynamical NMR parameters (cumulative Δδ, SSP, temperature coefficients, relaxation time, hetNOE) combined with MD simulations can be used to build a structural model even if, due to high flexibility, the classical solution structure calculation is not possible.
The positive use of video games and media in psychodynamic psychotherapy
Authors: Hojman Horacio
Published: June 2020

During this COVID‐19 pandemic, thousands of children and adolescents remain in their homes without going to school, becoming physically isolated from friends and the external world. Many children are using social media and gaming during this difficult worldwide period of anxiety and uncertainty to regulate their internal world and interpersonal relationships. This is the latest expression of a radical change in how children and adolescents express themselves, which has grown exponentially since the introduction of gaming and social media.
Keep Your Eye On…
Authors: Knopf Alison
Published: June 2020

The role of genetics in increased prevalence of ASDs

The social determinants of health

The reluctance of some police officers to administer naloxone
Importance of helping pregnant women with SUDs
Authors: Knopf Alison
Published: June 2020

If you are pregnant and have a substance use disorder (SUD), you should not hide it, but rather seek help. This is also true for women without a full‐blown SUD, but who may be concerned that one is developing. During the pandemic and quarantine, drinking in general has been going up, partly due to stress and boredom.
Transcatheter aortic valve replacement in patients with severe comorbidities: A retrospective cohort study
Authors: Tang Liang , Sorajja Paul , Mooney Michael , Garberich Ross , Kunz Miranda , Stanberry Larissa I. , Ahmed Aisha , Bradley Steven M. , Witt Dawn , Bae Richard , Niikura Hiroki , Steffen Robert , Gössl Mario
Published: June 2020

Objective

To investigate the long‐term outcomes of patients with severe comorbidities (sCM) undergoing transcatheter aortic valve replacement (TAVR).

Background

The benefit of TAVR may be limited among patients with sCM due to a lack of mortality‐ or quality‐of‐life‐benefit.

Methods

All TAVR patients in the Allina Health System between January 1, 2011 and August 7, 2018 were included (n = 890, 82 ± 8 years, 55% men). sCM included: severe lung disease, severe liver disease, end‐stage renal disease, severe, severe dementia, severe dilated cardiomyopathy, and frailty. Outcomes between patients with (n = 215, 24%) and without (n = 675, 76%) sCM were compared.

Results

At baseline, patients with sCM had worse symptoms, higher STS‐PROM and a lower Kansas City Cardiomyopathy Questionnaire (KCCQ) score compared to those without. During a median follow‐up of 15 months (IQR, 7–29 months), there were 208 (23%) deaths. Patients with sCM had a lower 3‐year survival free from all‐cause mortality (40% vs. 79%, p < .001), and lower 3‐year survival free from the composite endpoint of all‐cause mortality, re‐hospitalization for heart failure, myocardial infarction or stroke (31% vs. 64%, p < .001) compared to those without sCM. The estimated monthly increase in KCCQ scores following TAVR was 1.5, 95%CI (1.3, 1.7), p < .001 irrespective of sCM grouping. From Cox regression analysis, severe comorbidities, with the exception of liver disease, were associated with an increased risk of all‐cause mortality and any additional comorbidity was associated with a multiplicative increase in risk of mortality of 2.8 (95%CI 2.3, 3.6), p < .001.

Conclusions

TAVR patients with sCM have poor 3‐year outcomes but may experience improvements in their quality of life.
Post‐Lithium‐Ion Battery Era: Recent Advances in Rechargeable Potassium‐Ion Batteries
Authors: Wang Bo , Ang Edison Huixiang , Yang Yang , Zhang Yufei , Ye Minghui , Liu Qi , Li Cheng Chao
Published: June 2020

Lithium shortage and the growing demand for electricity storage has encouraged researchers to look for new alternative energy‐storage materials. Due to abundant potassium resources, similar redox potential to lithium metal, and low cost, potassium‐ion batteries (PIBs), as one of the promising alternatives, have been applied in energy‐storage research recently. However, PIBs do not have adequate competition in their electrochemical efficiency because the molar volume of potassium ions is higher than those in lithium and sodium ions. Therefore, for better application and development of PIBs, finding suitable anode and cathode materials is currently the most important task. The latest developments in electrode materials for PIBs have been outlined in depth in this review. It focuses on the structural design and synthetic methods for novel electrode materials, ingenious optimization and tuning strategies, and explains the intrinsic reaction mechanism. The effects of organic electrolytes and aqueous electrolytes on battery systems are compared and clarified. Finally, theoretical and viable insights are given to the challenges posed by the creation and practical application of PIBs in the future.
DNA Nucleobase under Ionizing Radiation: Unexpected Proton Transfer by Thymine Cation in Water Nanodroplets
Authors: Semmeq Abderrahmane , Badawi Michael , Hasnaoui Abdellatif , Ouaskit Said , Monari Antonio
Published: June 2020

The effect of ionizing radiation on DNA constituents is a widely studied fundamental process using experimental and computational techniques. In particular, radiation effects on nucleobases are usually tackled by mass spectrometry in which the nucleobase is embedded in a water nanodroplet. Here, we present a multiscale theoretical study revealing the effects and the dynamics of water droplets towards neutral and ionized thymine. In particular, by using both hybrid quantum mechanics/molecular mechanics and full ab initio molecular dynamics, we reveal an unexpected proton transfer from thymine cation to a nearby water molecule. This leads to the formation of a neutral radical thymine and a Zundel structure, while the hydrated proton localizes at the interface between the deprotonated thymine and the water droplet. This observation opens entirely novel perspectives concerning the reactivity and further fragmentation of ionized nucleobases.
Hollow Porous MnFe2O4 Sphere Grown on Elm‐Money‐Derived Biochar towards Energy‐Saving Full Water Electrolysis
Authors: Liu Xia , Huo Yu‐Qiu , Yan Li‐Kai , Fan Na , Cai Kui‐Zhe , Su Zhong‐Min
Published: June 2020

The development of inexpensive and efficient bifunctional electrocatalysts is significant for widespread practical applications of overall water splitting technology. Herein, a one‐pot solvothermal method is used to prepare hollow porous MnFe2O4 spheres, which are grown on natural‐abundant elm‐money‐derived biochar material to construct MnFe2O4/BC composite. When the overpotential is 156 mV for both the oxygen evolution reaction and the hydrogen evolution reaction, the current density reaches up to 10 mA cm−2, and its duration is 10 h. At 1.51 V, the overall water decomposition current density of 10 mA cm−2 can be obtained in 1 m KOH. This work proves that elm‐money‐derived biochar is a valid substrate for growing hollow porous spheres. MnFe2O4/BC give a promising general strategy for preparing the effective and stable bifunctional catalysis that can be expand to multiple transition metal oxide.
Electronically Driven Regioselective Iridium‐Catalyzed C−H Borylation of Donor‐π‐Acceptor Chromophores Containing Triarylboron Acceptors
Authors: Rauch Florian , Krebs Johannes , Günther Julian , Friedrich Alexandra , Hähnel Martin , Krummenacher Ivo , Braunschweig Holger , Finze Maik , Marder Todd B.
Published: June 2020

We observed a surprisingly high electronically driven regioselectivity for the iridium‐catalyzed C−H borylation of donor‐π‐acceptor (D‐π‐A) systems with diphenylamino (1) or carbazolyl (2) moieties as the donor, bis(2,6‐bis(trifluoromethyl)phenyl)boryl (B(FXyl)2) as the acceptor, and 1,4‐phenylene as the π‐bridge. Under our conditions, borylation was observed only at the sterically least encumbered para‐positions of the acceptor group. As boronate esters are versatile building blocks for organic synthesis (C−C coupling, functional group transformations) the C−H borylation represents a simple potential method for post‐functionalization by which electronic or other properties of D‐π‐A systems can be fine‐tuned for specific applications. The photophysical and electrochemical properties of the borylated (1‐(Bpin)2) and unborylated (1) diphenylamino‐substituted D‐π‐A systems were investigated. Interestingly, the borylated derivative exhibits coordination of THF to the boronate ester moieties, influencing the photophysical properties and exemplifying the non‐innocence of boronate esters.
How does nitrogen and forage harvest affect belowground biomass and nonstructural carbohydrates in dual‐use Kernza intermediate wheatgrass?
Authors: Sakiroglu Muhammet , Dong Chenfei , Hall Mary Beth , Jungers Jacob , Picasso Valentin
Published: June 2020

Intermediate wheatgrass [Thinopyrum intermedium (Host) Barkworth & D.R. Dewey] is a cool‐season perennial forage grass, whose grain is commercialized in the United States as “Kernza.” Its extensive root system may help in reducing soil erosion, water pollution, and C emissions. Nitrogen fertilization and forage harvest intensity may affect the belowground biomass and nonstructural carbohydrate (NSC) concentrations, which may affect growth in subsequent years. We compared N doses and forage harvest treatments in a replicated complete block experiment in three environments (location‐years: Arlington, WI, 2016 and 2017; and St. Paul, MN, 2016). Seeds were sown in the fall, Kernza grain was harvested in the following summer, and rhizomes and roots were sampled in fall to a depth of 0.1 m over 2 yr. The water‐soluble carbohydrates (WSC) accounted for 97–99% of NSC, across environments. The WSC concentration was higher in rhizomes than in roots in both years, but WSC mass was higher in roots than rhizomes due to greater root biomass. Nitrogen generally did not change NSC concentrations across years, but reduced WSC in rhizome the second year in WI. Forage harvest did not affect NSC concentrations across locations and years. Belowground biomass to 1‐m depth in the fall of the second year in Wisconsin averaged 478.3 g m−2 regardless of treatment. Summer forage yield in the following year was positively associated with root biomass in the fall. These results suggest that harvesting forage in a Kernza dual‐use system is not detrimental to intermediate wheatgrass above‐ and belowground productivity.
Fusion of airways during avian lung development constitutes a novel mechanism for the formation of continuous lumena in multicellular epithelia
Authors: Palmer Michael A. , Nelson Celeste M.
Published: June 2020

Background

During development of the avian lung, the initially terminally branched epithelial tree later forms a continuous network of airways. This occurs via a large‐scale epithelial fusion event, wherein airways that originate proximally collide with those that originate distally to form one continuous lumen.

Results

Here, we found that prior to fusion, the epithelium of the embryonic chicken lung undergoes a shape change to permit the initiation and extension of new branches which contain the cells that initiate contact. These changes in epithelial shape coincide with the differentiation of smooth muscle cells that wrap the airways. From these nascent epithelial branches, individual cells form cytoskeletal protrusions that extend toward and form a bridge with their target airway. Additional cells then join the fusion site, forming a bilayered epithelium. During this process, the basement membrane around the prefusion epithelium degrades and then reforms after fusion. The epithelial bilayer then undergoes apoptosis, clearing the path between the two lumens.

Conclusions

The process of airway epithelial fusion in the developing chicken lung constitutes a novel mechanism for the generation of complex multicellular tubes and suggests a conserved role for smooth muscle in the shaping of airway epithelia.
Manipulation of epithelial integrity and mucosal immunity by host and microbiota‐derived metabolites
Authors: Kayama Hisako , Takeda Kiyoshi
Published: June 2020

The human intestinal tract contains a large number of microbes, their metabolites, and potentially harmful food antigens. The intestinal epithelium separates the mucosa where immune cells are located from luminal microbes by expressing various factors that assemble into physical and chemical barriers. In addition to epithelial cells, immune cells are essential for enforcing mucosal barriers through production of inflammatory and anti‐inflammatory mediators. Intestinal microbiota, represented by gut ecological communities of living microorganisms, influences maturation and homeostasis of host immune system and contributes to the maintenance of the epithelial integrity with small molecules derived from their metabolism, termed metabolites. In turn, immune cells receive signals from microbiota, and may play key role in maintenance of a healthy bacterial composition and reinforcement of epithelial barrier functions, leading to the establishment of a host‐bacterial mutualism. Alterations in the microbiota community and metabolome profiles are observed in patients with various disorders including inflammatory bowel disease. In this review, we will discuss physiological functions of the microbiota and its metabolites in regulating host immune system and reinforcing epithelial barrier functions. Further understanding of these processes will aid in identification of novel therapeutic targets and subsequent development of therapeutic interventions in a range of chronic inflammatory diseases.
Total Synthesis of the Antitumor Depsipeptide FE399 and Its S‐Benzyl Derivative: A Macrolactamization Approach
Authors: Tonoi Takayuki , Ikeda Miyuki , Sato Teruyuki , Inohana Takehiko , Kawahara Ryo , Murata Takatsugu , Shiina Isamu
Published: June 2020

An efficient and practical method for the synthesis of (9R,14R,17R)‐FE399, a novel antitumor bicyclic depsipeptide, was developed. A 2‐methyl‐6‐nitrobenzoic anhydride (MNBA)‐mediated dehydration condensation reaction was effectively employed for the formation of the 16‐membered macrocyclic depsipeptide moiety of FE399. FE399 was found to exist as an inseparable equilibrium mixture of conformational isomers; the mixture was quantitatively transformed into the corresponding S‐benzyl product and isolated as a single isomer. Thus, we could confirm that the molecular structure of FE399 obtained by this method is identical to that of the natural product.
Synthesis of Diverse C2‐Glyco‐Acyl Azides and ‐Ureas by Palladium‐Catalyzed Carbonylation Coupling of 2‐Iodoglycals
Authors: Soares‐Paulino Antônio Augusto , Stefani Hélio A.
Published: June 2020

Herein, we describe the synthesis of acyl azides and acyl urea glycals, a new class of C‐2 branched glycoconjugates, employing Pd‐catalyzed carbonylative coupling. A new strategy was developed to obtain acyl azides by carbonylative coupling between 2‐iodo‐glycals and NaN3 catalyzed by Pd(dba)2/Xantphos and carbon monoxide as a carbonyl source. Acyl azide glycals were used as synthetic intermediates in obtaining new acyl urea glycals via carbonylative coupling catalyzed by Pd(OAc)2 and 1,10‐Phen. Different glycal substrates, including disaccharide‐type, were studied, and various acyl azides and acyl ureas were prepared. Reaction yields were moderate to high (31–99 %) and reaction time varying from short to long (0.5–20 h).
σ‐Hole Interactions in Catalysis
Authors: Breugst Martin , Koenig Jonas J.
Published: June 2020

Noncovalent interactions like halogen, chalcogen, and pnictogen bonding are known for a very long time. During the last decade, these interactions have found different applications in catalysis. These forces are often called σ‐hole interactions which can be explained by the anisotropic distribution of the electron density around these atoms. In this MiniReview, we will present recent applications of halogen, chalcogen, and pnictogen bonding in catalysis and discuss experimental and computational investigations to gain more insights into the underlying mechanisms.
Comparison of l‐tyrosine containing dipeptides reveals maximum ATP availability for l‐prolyl‐l‐tyrosine in CHO cells
Authors: Verhagen Natascha , Wijaya Andy Wiranata , Teleki Attila , Fadhlullah Muhammad , Unsöld Andreas , Schilling Martin , Heinrich Christoph , Takors Ralf
Published: June 2020

Increasing markets for biopharmaceuticals, including monoclonal antibodies, have triggered a permanent need for bioprocess optimization. Biochemical engineering approaches often include the optimization of basal and feed media to improve productivities of Chinese hamster ovary (CHO) cell cultures. Often, l‐tyrosine is added as dipeptide to deal with its poor solubility at neutral pH. Showcasing IgG1 production with CHO cells, we investigated the supplementation of three l‐tyrosine (TYR, Y) containing dipeptides: glycyl‐l‐tyrosine (GY), l‐tyrosyl‐l‐valine (YV), and l‐prolyl‐l‐tyrosine (PY). While GY and YV led to almost no phenotypic and metabolic differences compared to reference samples, PY significantly amplified TYR uptake thus maximizing related catabolic activity. Consequently, ATP formation was roughly four times higher upon PY application than in reference samples.
A taxonomy of blockchain envisioned edge‐as‐a‐connected autonomous vehicles
Authors: Gupta Rajesh , Kumari Aparna , Tanwar Sudeep
Published: June 2020

In the past few decades, Intelligent Transport System (ITS) has gained the popularity in smart society. Global automotive stakeholders such as Google, Uber, and Toshiba are the driving force in that and also looking for the interconnection of autonomous vehicles (AVs) for road traffic management, that is, connected AVs (CAV). CAVs are vulnerable to various safety and security issues, for instance, denial‐of‐service, global positioning system (GPS) spoofing, man‐in‐the‐middle, and timing attacks, which raise serious concerns for their development in application specific areas. Although many solutions exist in the literature, most of them are focused on centralized systems, which is having a single‐point‐failure. In light of the above facts, we analyze and classify the security and privacy issues in CAV and proposed a solution taxonomy in this article. We emphasized the defense mechanism for these attacks on the CAV system along with their enactment on issues and discovered how emergent blockchain technology could handle it. Furthermore, we proposed a blockchain‐based secure and decentralized CAV architecture to mitigate security and privacy issues such as denial of service, man‐in‐the‐middle, hijacking, GPS spoofing, and replay attacks. Finally, we reconnoiter the open research challenges associated with the blockchain‐based CAV system. To validate the efficacy of the proposed system, a real‐time case study on smart city integration over edge computing using computation and communication costs is proposed in this article.
Roadkill risk and population vulnerability in European birds and mammals
Authors: Grilo Clara , Koroleva Elena , Andrášik Richard , Bíl Michal , González‐Suárez Manuela
Published: June 2020

Roads represent a threat to biodiversity, primarily through increased mortality from collisions with vehicles. Although estimating roadkill rates is an important first step, how roads affect long‐term population persistence must also be assessed. We developed a trait‐based model to predict roadkill rates for terrestrial bird and mammalian species in Europe and used a generalized population model to estimate their long‐term vulnerability to road mortality. We found that ~194 million birds and ~29 million mammals may be killed each year on European roads. The species that were predicted to experience the highest mortality rates due to roads were not necessarily the same as those whose long‐term persistence was most vulnerable to road mortality. When evaluating which species or areas could be most affected by road development projects, failure to consider how roadkill affects populations may result in misidentifying appropriate targets for mitigation.
Older patients and geographic barriers to pharmacy access: When nonadherence translates to an increased use of other components of health care
Authors: Di Novi Cinzia , Leporatti Lucia , Montefiori Marcello
Published: June 2020

This paper studies whether geographic barriers can influence nonadherence to prescription drugs and its effect on patients' health. We used a multivariate probit model estimated by maximum simulated likelihood that considers individual unobserved heterogeneity, which may characterize the relationship between adherence, medical care utilization, and health outcome. We used administrative data from Liguria, Italy, the region with the highest rate of individuals over the age of 65 in Europe. Our sample included older individuals affected by cardiovascular diseases, which remain one of the leading causes of death in most OECD countries. Our results showed that geographic barriers to pharmacies negatively influence patients' adherence. According to our results, patients' nonadherence to pharmacological therapy is responsible for an increased probability of patients' mortality and the overuse of other medical services, namely, hospitalizations and emergency department visits. Nonadherence may thus represent a potential source of waste for the health care system.
A novel reaction force‐fluorescence measurement system for evaluating pancreatic juice leakage from an excised swine pancreas during distal pancreatectomy
Authors: Kobayashi Etsuko , Tsuchiya Shuto , Akagi Yuki , Tomii Naoki , Nakagawa Keiichi , Inai Kunihiro , Muragaki Yoshihiro , Asano Takehide , Kim Daeyoung
Published: June 2020

Background

Resection using a stapler is a popular approach to distal pancreatectomy. However, the resulting leakage of pancreatic juice represents a serious problem. We have developed a force‐fluorescence measurement as a first step towards the quantitative evaluation of pancreatic leakage due to tissue tearing under compression.

Methods

The system comprises a testing machine with an indenter, similar in size to a stapler, which controls compression speed and measures reaction force, and a fluorescence measurement system to measure pancreatic juice leakage. Pancreatic juice leakage is measured as the maximum value of the increasing rate of fluorescence intensity (max value). Ten excised swine pancreases were compressed at a speed of 500, 100, and 10 mm/min until their thicknesses became 2 mm.

Results

A strong positive correlation (0.804) was observed between the increase in max value before and after compression and the amount of reaction force drop due to tissue destruction. No pancreatic juice leakage was observed when compressed slowly (10 mm/min).

Conclusions

We have successfully developed a novel force‐fluorescence measurement system that can detect and quantify pancreatic juice leakage caused by tissue tearing. This system can determine the optimal compression conditions for preventing pancreatic juice leakage.
Risk factors and characteristics of young patients with the biliary tract carcinoma: results of a project study for biliary surgery by the Japanese Society of Hepato‐Biliary‐Pancreatic Surgery
Authors: Ariake Kyohei , Unno Michiaki , Yoshida Hiroshi , Kubo Shoji , Horiguchi Akihiko , Yamaue Hiroki , Yamamoto Masakazu
Published: June 2020

Purpose

This study aimed to elucidate the characteristics of biliary tract carcinoma (BTC) in young patients.

Methods

This is a nationwide multicenter, retrospective cohort study supervised by the Japanese Society of Hepato‐Biliary‐Pancreatic Surgery (JSHBPS). Clinicopathological data of patients aged <50 years diagnosed with BTC from January 1997 to December 2011 were collected from 211 training institutes for highly advanced surgery registered by the JHBPS.

Results

Data of 774 young patients aged <50 years were obtained from 102 institutes. Pancreaticobiliary maljunction (PBM) (10.6%) was most frequently associated with young BTC. However, organic solvents caused by printing or other occupations were only 2.5%. PBM was further associated with early onset of BTC and was noted in 38.9% of patients aged <30 years. Subgroup analysis revealed that the distributions of PBM, choledochal cysts, cholelithiasis, hepatitis B virus, and past history of cancer were significantly varied depending on the site of BTC. These results suggested that each site of BTC has a different mechanism for cancer development.

Conclusion

Although the most frequent factor for young BTC patients was PBM, cancer‐associated factors were dramatically different in each BTC site. These results might be useful to elucidate the etiology of young BTC patients.
Climate analogue and future appearance of novel climate in Southeast Asia
Authors: Nguyen‐Thi Tuyet , Ngo‐Duc Thanh , Tangang Fredolin T. , Cruz Faye , Juneng Liew , Santisirisomboon Jerasorn , Aldrian Edvin , Phan‐Van Tan , Narisma Gemma
Published: June 2020

This study identified the analogue locations of five big cities and the future appearance of novel climate in Southeast Asia (SEA) at the end of the 21st century under the Representative Concentration Pathways 8.5 (RCP8.5) and 4.5 (RCP4.5) scenarios. A modified version of an existing formulation to estimate climate distance is introduced, using the monthly means of temperature and precipitation from six regional climate experiments and from six global climate models (GCMs). Results showed that regional downscaling allowed a more accurate representation of temperature but displayed a higher variability in rainfall over SEA compared to the GCM performance. The ensemble mean (ENS) experiment had a relatively better performance compared to each individual experiment in representing the monthly time series of temperature and precipitation. The common tendency of climatic relocation towards warmer regions for the five big cities in SEA (Hanoi, Bangkok, Manila, Kuala Lumpur and Jakarta) was prominent with the regional ENS experiment. At the end of the 21st century, the ratio of novel climate areas over SEA, mainly located in low elevation, coastal, equatorial regions, and islands, was less than 2% under RCP4.5, but increased to 24 and 21% under RCP8.5 for the ensemble regional and global experiments, respectively.
Perception of communities when managing exclosures as common pool resources in northwestern Ethiopia
Authors: Mekuria Wolde , Getnet Kindie , Yami Mastewal , Langan Simon , Amare Dagninet
Published: June 2020

Understanding the different perceptions of the local community regarding the use and management of common pool resources, such as exclosures, could better support targeted interventions by government and development partners. Here, we report on a study conducted in the Gomit watershed, northwestern Ethiopia, using a survey and key informant interviews, to examine community perceptions on (a) the biophysical condition (i.e., challenge of land degradation and restoration), (b) the action situations (user's access to and control over resources and decision‐making processes involved in taking actions in managing the exclosure), (c) actors' interactions (formal and informal institutions involved in the management of exclosures), and (d) perceived outcomes (benefits and tradeoffs of managing exclosures). Many people in the Gomit watershed recognize land degradation as a serious problem and believe that exclosures support restoration of degraded landscapes and improve ecosystem services. Informal institutions play a key role in managing exclosures by improving benefit sharing and mobilizing the local community for collective action. However, some community members have concerns about recent expansion of exclosures because of (a) limited short‐term derived benefits, (b) reductions in fuelwood availability, (c) increased degradation of remaining communal grazing lands, and (d) poor participation of marginalized groups in decision making. Addressing such concerns through the promotion of short‐term benefits of exclosures and increasing community participation in decision‐making and benefit sharing is crucial. The study provides evidence to support government and development partners on the establishment and management of exclosures through identifying the benefits and drawbacks as perceived by different sectors of the community.