bluuebunny/crossref_metadata_2025 huggingface dataset:
Effects of rheumatoid arthritis associated transcriptional changes on osteoclast differentiation network in the synovium
Authors: Harshan Shilpa , Dey Poulami , Ragunathan Srivatsan
Published: October 2018

Background

Osteoclast differentiation in the inflamed synovium of rheumatoid arthritis (RA) affected joints leads to the formation of bone lesions. Reconstruction and analysis of protein interaction networks underlying specific disease phenotypes are essential for designing therapeutic interventions. In this study, we have created a network that captures signal flow leading to osteoclast differentiation. Based on transcriptome analysis, we have indicated the potential mechanisms responsible for the phenotype in the RA affected synovium.

Method

We collected information on gene expression, pathways and protein interactions related to RA from literature and databases namely Gene Expression Omnibus, Kyoto Encyclopedia of Genes and Genomes pathway and STRING. Based on these information, we created a network for the differentiation of osteoclasts. We identified the differentially regulated network genes and reported the signaling that are responsible for the process in the RA affected synovium.

Result

Our network reveals the mechanisms underlying the activation of the neutrophil cytosolic factor complex in connection to osteoclastogenesis in RA. Additionally, the study reports the predominance of the canonical pathway of NF-κB activation in the diseased synovium. The network also confirms that the upregulation of T cell receptor signaling and downregulation of transforming growth factor beta signaling pathway favor osteoclastogenesis in RA. To the best of our knowledge, this is the first comprehensive protein–protein interaction network describing RA driven osteoclastogenesis in the synovium.

Discussion

This study provides information that can be used to build models of the signal flow involved in the process of osteoclast differentiation. The models can further be used to design therapies to ameliorate bone destruction in the RA affected joints.
Reliability and validity of a new accelerometer-based device for detecting physical activities and energy expenditure
Authors: Yang Yanxiang , Schumann Moritz , Le Shenglong , Cheng Shulin
Published: October 2018

Background

Objective assessments of sedentary behavior and physical activity (PA) by using accelerometer-based wearable devices are ever expanding, given their importance in the global context of health maintenance. This study aimed to determine the reliability and validity of a new accelerometer-based analyzer (Fibion) for detecting different PAs and estimating energy expenditure (EE) during a simulated free-living day.

Methods

The study consisted of two parts: a reliability (n = 18) and a validity (n = 19) test. Reliability was assessed by a 45 min protocol of repeated sitting, standing, and walking (i.e., 3 × 15 min, repeated twice), using both Fibion and ActiGraph. Validity was assessed by a 12 h continuous sequence tasks of different types (sitting, standing, walking, and cycling) and intensities (light [LPA], moderate [MPA], and vigorous [VPA]) of PA. Two Fibion devices were worn on the thigh (FT) and in the pocket (FP), respectively and were compared with criteria measures, such as direct observation (criterion 1) and oxygen consumption by a portable gas analyzer, K4b2 (criterion 2).

Results

FT (intra-class correlation coefficients (ICCs): 0.687–0.806) provided similar reliability as the Actigraph (ICCs: 0.661–0.806) for EE estimation. However, the measurement error (ME) of FT compared to the actual time records indicated an underestimation of duration by 5.1 ± 1.2%, 3.8 ± 0.3% and 14.9 ± 2.6% during sitting, walking, and standing, respectively. During the validity test, FT but not FP showed a moderate agreement but lager variance with the criteria (1 and 2) in assessing duration of sitting, long sitting, LPA, MPA, and VPA (p > 0.05, ICCs: 0.071–0.537), as well as for EE estimation of standing, LPA, MPA, and VPA (p > 0.05, ICCs: 0.673–0.894).

Conclusions

FT provided similar reliability to that of the Actigraph. However, low correlations between subsequent measurements of both devices indicated large random MEs, which were somewhat diminished during the simulated 12 h real-life test. Furthermore, FT may accurately determine the types, intensities of PA and EE during prolonged periods with substantial changes in postures, indicating that the location of the accelerometer is essential. Further study with a large cohort is needed to confirm the usability of Fibion, especially for detecting the low-intensity PAs.
Estimating unrecorded human-caused mortalities of grizzly bears in the Flathead Valley, British Columbia, Canada
Authors: McLellan Bruce N. , Mowat Garth , Lamb Clayton T.
Published: October 2018

Managing the number of grizzly bear (Ursus arctos) mortalities to a sustainable level is fundamental to bear conservation. All known grizzly bear deaths are recorded by management agencies but the number of human-caused grizzly bear deaths that are not recorded is generally unknown, causing considerable uncertainty in the total number of mortalities. Here, we compare the number of bears killed legally by hunters to the number killed by people for all other reasons, for bears wearing functioning radiocollars and for uncollared bears recorded in the British Columbia (BC) government mortality database for the Flathead Valley in southeast BC. Between 1980 and 2016, permitted hunters killed 10 collared bears and 12 (9 known, 3 suspected) were killed by people for other reasons. This ratio differed (p < 0.0001) from the uncollared bears in the government database where 71 were killed by hunters while only 10 were killed for other reasons. We estimate that 88% (95% CI; 67–96%) of the human-caused mortalities that were not by permitted hunters were unreported. The study area may have low reporting rates because it is >40 km on a gravel road from a Conservation Officer office, so reporting is difficult and there are no human residences so there is little concern of a neighbor contacting an officer. Our results are likely indicative of other places that are road-accessed but far from settlements. We discuss the implications of sampling individuals for collaring and the possible implications of wearing a collar on the animal’s fate.
Sex-biased expression between guppies varying in the presence of ornamental coloration
Authors: Dick Cynthia , Reznick David N. , Hayashi Cheryl Y.
Published: October 2018

Sex-biased gene expression provides a means to achieve sexual dimorphism across a genome largely shared by both sexes. Trinidadian guppies are ideal to examine questions of sex-bias as they exhibit sexual dimorphism in ornamental coloration with male only expression. Here we use RNA-sequencing to quantify whole transcriptome gene expression differences, with a focus on differential expression of color genes between the sexes. We determine whether males express genes positively correlated with coloration at higher levels than females. We find that all the differentially expressed color genes were more highly expressed by males. Males also expressed all known black melanin synthesis genes at higher levels than females, regardless of whether the gene was significantly differentially expressed in the analysis. These differences correlated with the visual color differences between sexes at the stage sampled, as all males had ornamental black coloration apparent. We propose that sexual dimorphism in ornamental coloration is caused by male-biased expression of color genes.
НЕКОТОРЫЕ АСПЕКТЫ КАНЦЕРОГЕНЕЗА, СВЯЗАННЫЕ С ГЕНЕТИЧЕСКИМИ И ЭПИГЕНЕТИЧЕСКИМИ ФАКТОРАМИ, "Успехи современной биологии"
Authors: Михайлов В. Ф. , Шуленина Л. В. , Васильева И. М. , Салеева Д. В. , Засухина Г. Д.
Published: October 2018

В работах различных авторов было показано, что многочисленные спонтанные повреждения ДНК (разрывы ДНК, изменение оснований), ежедневно возникающие в клетке в результате метаболизма организма человека, являются основой мутационной селекции. Мутантные клетки имеют определенные преимущества в микроокружающей среде, изменяющейся вследствие возрастных особенностей, что способствует образованию онкоклонов и диссеминации их. Значительная роль в этом процессе принадлежит наследственным факторам, при этом существует ряд наследственных болезней (пигментная ксеродерма и др.), которые в большинстве случаев приводят к возникновению рака. Описан ряд сопряженных генов, контролирующих клеточный гомеостаз и при этом являющихся генами-супрессорами, изменение активности которых или мутации в их структуре способствуют канцерогенезу. Рассмотрена роль эпигенетических факторов, к которым относятся некодирующие регуляторные РНК, организация структуры хроматина, метилирование в процессах канцерогенеза. Модуляция функциональной активности генов осуществляется некодирующими РНК, каждая из которых может иметь несколько генов-мишеней и, в свою очередь, быть подвержена влиянию различных генов. К регуляторным РНК относятся микроРНК и длинные некодирующие белки РНК, изменения активности которых могут служить биомаркерами начала заболевания, иметь прогностическую ценность и использоваться как мишень для терапии. Представлены новые данные о роли некодирующих РНК, метилирования и организации хроматина при канцерогенезе. Приведены данные авторов по использованию уровня экспрессии ряда генов и некодирующих РНК как прогностических показателей, пригодных для оценки эффективности терапии ряда опухолей. Специальное внимание уделено структурной организации хроматина и метилированию в канцерогенезе, а также взаимодействию клеточных структур, влияющих не активность генов и их регуляцию в канцерогенезе. Дана краткая оценка канцерогенного действия экзогенных факторов: природных (космические факторы, некоторые природные соединения) и антропогенных (радиация, химические вещества, онкогенные вирусы).
РОЛЬ МЫШЕЧНОГО ГОРМОНА ИРИСИНА В РЕГУЛЯЦИИ ФИЗИОЛОГИЧЕСКИХ ФУНКЦИЙ В НОРМЕ И ПАТОЛОГИИ, "Успехи физиологических наук"
Authors: Кузник Б.И. , Давыдов С. О. , Степанов А.В.
Published: October 2018

В обзоре представлены сведения о вновь открытом гормоне ирисине, образуемом мышцами при физической нагрузке из мембранного белка FNDC5 и являющемся "сжигателем" жира. Приводятся данные о том, что существуют тесные связи между уровнем ирисина в крови и длиной теломер, являющихся наиболее точными маркерами продолжительности жизни человека. Рассматриваются интимные механизмы действия ирисина на когнитивные функции, обмен жиров и углеводов. Приводятся сведения о роли ирисина в регуляции физиологических функций в условиях нормы и патологии. Представлены первые данные о том, что существуют эпигенетические механизмы регуляции уровня ирисина и тем самым намечаются новые пути воздействия на качество и продолжительность жизни людей.
ТРАНСМИТТЕРНЫЕ СИСТЕМЫ В ЭМБРИОГЕНЕЗЕ -СОВРЕМЕННОЕ СОСТОЯНИЕ ПРОБЛЕМЫ, "Успехи физиологических наук"
Authors: Шмуклер Ю.Б. , Никишин Д.А.
Published: October 2018

The review is devoted to the functions and mechanisms participated by neurotransmitters in the early embryogenesis of various species. The specific feature of these mechanisms are described such as multiplicity of transmitters and receptors that are expressed in the individual cell also as intracellular and membrane localization of transmitter receptors. The sequence of developmental processes where transmitters take part is listed.
Enhancement of Inverse Magnetostrictive Effect through Stress Concentration for a Notch‐Introduced FeCo Alloy
Authors: Yang Zhenjun , Kurita Hiroki , Takeuchi Hiroki , Katabira Kenichi , Narita Fumio
Published: October 2018

The authors investigate the magnetic flux leakage for a class of magnetostrictive FeCo alloys with a notch undergoing compression and impact with respect to energy harvesting. The magnetic flux leakage plays a crucial role in the practical energy transition in terms of the features for energy harvesting. Therefore, the corresponding situations are systematically studied by combining finite element analysis (FEA) with practical experiments. The FeCo alloys are categorized into three groups with different three‐dimensional notch shapes, and the depths of the notches are 0, 0.5, and 1 mm, respectively. The parameters in both the simulations and practical tests are completely consistent. The results of compression test carried out with a stepwise‐increasing stress from 0 to 100 MPa reveal that the variations of magnetic induced flux increase with the increasing depth of the notches. The following FEA herein provides a feasible interpretation that the stress concentration around the notch is largely responsible for the notch‐induced enhancement. The findings of the impacting experiments simultaneously exhibit an analogous tendency that the output power is proportional to the depth of notch. Furthermore, the stress rate has no obvious effect on the output electricity. The maximum magnitude of the improvement for the output power increases by almost 400% comparing the specimens with notches of 0 and 1 mm. This study indicates a promising feasibility to achieve vibration‐energy harvesting from various irregular components.
Tissue Models for Neurogenesis and Repair in 3D
Authors: Grasman Jonathan M. , Ferreira Julia A. , Kaplan David L.
Published: October 2018

Development and maturation of vascular and neuronal tissues occurs simultaneously in utero, and are regulated by significant crosstalk. Here, the development of a 3D tissue system to model neurogenesis and recapitulate developmental signaling conditions is reported. Human umbilical vein endothelial cells (HUVECs) are seeded inside channels within collagen gels to represent nascent vascular networks. Axons extending from chicken dorsal root ganglia grow significantly longer and preferentially toward the HUVEC seeded channels with respect to unloaded channels. To replicate these findings without the vascular component, channels are loaded with brain‐derived neurotrophic factor (BDNF), the principle signaling molecule in HUVEC‐stimulated axonal growth, and axons likewise are significantly longer and grow preferentially toward the BDNF‐loaded channels with respect to controls. This 3D tissue system is then used as an in vitro replicate for peripheral nerve injury, with neural repair observed within 2 weeks. These results demonstrate that the 3D tissue system can model neural network formation, can repair after laceration injuries, and can be utilized to further study how these networks form and interact with other tissues, such as skin or skeletal muscle.
Metal‐Organic Frameworks/Graphene‐Based Materials: Preparations and Applications
Authors: Zheng Yan , Zheng Shasha , Xue Huaiguo , Pang Huan
Published: October 2018

Metal‐organic frameworks (MOFs), a new class of crystalline porous materials, can be applied in many fields as adsorbents, supercapacitors, catalysts, and so on because of, among others, their superior properties of large surface area, tunable pore size, diverse structures. However, the low stability and selectivity of traditional MOFs indicate that they are not the best configuration for the applications outlined above. In this case, a type of composite made from an assembly of graphene‐based materials and MOFs that exhibits the advantages of the parent materials has attracted widespread attention in recent years. This review provides an overview of the recent developments of MOF/graphene‐based materials, focusing on their applications in gas separation/storage, water purification, chemical sensors, batteries, supercapacitors, and catalysts, as well as their preparation methods.
Poly(vinyldibenzothiophenesulfone): Its Redox Capability at Very Negative Potential Toward an All‐Organic Rechargeable Device with High‐Energy Density
Authors: Oka Kouki , Kato Ryo , Oyaizu Kenichi , Nishide Hiroyuki
Published: October 2018

Dibenzothiophenesulfone undergoes a two‐electron reduction in a single step at a very negative potential of −1.8 V (versus Ag/AgCl) in organic electrolytes, due to the electron‐withdrawing sulfone group and the stability of the resulting dianion. The heterogeneous electron‐transfer rate constant for the reduction is approximately 10−1 cm s−1, which is significantly faster than most redox‐active species. The results presented herein suggest that dibenzothiophenesulfone is a potential candidate for use as an anode‐active material with high‐energy density. In addition, radical polymerization of vinyldibenzothiophenesulfone yielded poly(vinyldibenzothiophenesulfone) with a high molecular weight. A rechargeable device is fabricated with only organic compounds; poly(vinyldibenzothiophenesulfone) as the anode, 2,2,6,6‐tetramethylpiperidine‐1‐oxyl (TEMPO)‐substituted poly(methacrylate) as the cathode, and tetraethylammonium salt and organic solvent as the electrolyte. This device yields a maximum output voltage of 2.6 V in these organic devices, and the active component of the anode displays a very high‐energy density of >500 mWh g−1.
Ceramic Robocasting: Recent Achievements, Potential, and Future Developments
Authors: Peng Erwin , Zhang Danwei , Ding Jun
Published: October 2018

Additive manufacturing (AM) of ceramic materials has attracted tremendous attention in recent years, due to its potential to fabricate suitable advanced ceramic structures for various engineering applications. Robocasting, a subset of ceramic AM, is an ideal technique for constructing fine and dense ceramic structures with geometrically complex morphology. With the freedom and convenience to deposit various materials within any 3D spatial position, ceramic robocasting opens up unlimited opportunities, which are otherwise hardly attainable from other AM techniques. Here, a summary of the recent progress on the fabrication of single and multi‐ceramic structures by robocasting is provided, as well as the prospects of achieving shapeable ceramic structures. The current challenges in ceramic robocasting and an outlook on its development, especially toward the fabrication of self‐shaping ceramic structures, are also discussed.
Sandwich‐Like Fibers/Sponge Composite Combining Chemotherapy and Hemostasis for Efficient Postoperative Prevention of Tumor Recurrence and Metastasis
Authors: Zhang Zhiyun , Kuang Gaizhen , Zong Shan , Liu Shi , Xiao Haihua , Chen Xuesi , Zhou Dongfang , Huang Yubin
Published: October 2018

Intraoperative bleeding is an essential factor leading to the earliest recurrence and tumor metastasis frequently seen after resection of solid tumors. Local drug delivery implants show the unique advantages on postoperative cancer therapy. Herein, a sandwich‐like cisplatin‐loaded fibers/sponge composite (CFSC) combining chemotherapy and hemostasis is constructed. The obtained implantable CFSC is able to simultaneously stop bleeding and absorb disseminated tumor cells after tumor resection. More importantly, sustained released cisplatin can kill local residual tumor cells as well as those concentrated in the CFSC, which significantly inhibits local tumor recurrence and distant tumor metastasis on the subcutaneous postoperative recurrence model and metastasis models. This dual functional implant strategy with low toxicity to healthy organs may inspire new aspects for efficient postoperative cancer therapy.
Secondary Acceptor Optimization for Full‐Exciton Radiation: Toward Sky‐Blue Thermally Activated Delayed Fluorescence Diodes with External Quantum Efficiency of ≈30%
Authors: Li Chenyu , Duan Chunbo , Han Chunmiao , Xu Hui
Published: October 2018

Efficient blue emitters are indispensable for organic light‐emitting diodes (OLEDs) with respect to display and lighting applications. Because of their high‐energy excited states, both radiation enhancement and non‐radiation suppression should be simultaneously optimized to realize 100% exciton utilization. Here, it is shown that the excited‐state characteristics of blue thermally activated delayed fluorescence emitters can be precisely controlled by a secondary acceptor having moderate electronic effects on increasing the singlet charge‐transfer component and preserving the triplet locally excited‐state component. In addition of planar configuration between the donor and the primary acceptor, the radiative transition improvement and non‐radiative transition suppression can be simultaneously achieved for “full‐exciton radiation”. A molecule using diphenylphosphine oxide as the secondary acceptor exhibits ≈100% photoluminescence quantum yield on the basis of its tenfold increased singlet radiative rate constant, fivefold decreased singlet and triplet non‐radiative rate constants, and ≈100% reverse intersystem crossing efficiency, which further endows ≈100% exciton utilization efficiency to its sky‐blue OLEDs.
Honeycomb‐Lantern‐Inspired 3D Stretchable Supercapacitors with Enhanced Specific Areal Capacitance
Authors: Lv Zhisheng , Tang Yuxin , Zhu Zhiqiang , Wei Jiaqi , Li Wenlong , Xia Huarong , Jiang Ying , Liu Zhiyuan , Luo Yifei , Ge Xiang , Zhang Yanyan , Wang Renheng , Zhang Wei , Loh Xian Jun , Chen Xiaodong
Published: October 2018

Traditional stretchable supercapacitors, possessing a thin electrode and a 2D shape, have limited areal specific areal capacitance and are incompatible with 3D wearables. To overcome the limitations of 2D stretchable supercapacitors, it is highly desirable to develop 3D stretchable supercapacitors with higher mass loading and customizable shapes. In this work, a new 3D stretchable supercapacitor inspired by a honeycomb lantern based on an expandable honeycomb composite electrode composed of polypyrrole/black‐phosphorous oxide electrodeposited on carbon nanotube film is reported. The 3D stretchable supercapacitors possessing device‐thickness‐independent ion‐transport path and stretchability can be crafted into customizable device thickness for enhancing the specific areal energy storage and integrability with wearables. Notably, a 1.0 cm thick rectangular‐shaped supercapacitor shows enhanced specific areal capacitance of 7.34 F cm−2, which is about 60 times higher than that of the original 2D supercapacitor (120 mF cm−2) at a similar discharge rate. The 3D supercapacitor can also maintain a capacitance ratio of 95% even under the reversible strain of 2000% after 10 000 stretch‐and‐release cycles, superior to state‐of‐the‐art stretchable supercapacitors. The enhanced specific areal energy storage and the customizablility in shapes of the 3D stretchable supercapacitors show immense promise in a wide range of applications in stretchable and wearable electronics.
Asymmetric Syntheses of Spirooxindole‐dihydroquinazolinones by Cyclization Reactions between N‐substituted Anthranilamides and Isatins
Authors: Wang Liang‐Liang , Jiang Ting , Li Peng‐Hua , Sun Rou‐Jing , Zuo Zhili
Published: October 2018

A variety of enantioenriched 3‐N‐substituted spirooxindole‐dihydroquinazolinones were synthesized by cyclization reactions involving 2‐amino‐N‐substituted benzamides and isatins catalyzed by SPINOL‐CPA catalyst in a highly enantioselective manner with excellent ee values (up to 99%) and good yields (up to 99%). So far, this is the first example to directly access this type of chiral pharmaceutically privileged 3‐N‐substituted dihydroquinazolinone derivatives with a broad substrate scope.

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Comment on Sensitivity Coefficients to Variation of Fundamental Constants
Authors: Kozlov Mikhail G. , Budker Dmitry
Published: October 2018

Atoms and molecules can serve as sensitive probes of a possible variation of the fine structure constant α and electron‐to‐proton mass ratio μ. Two types of sensitivity coefficients are often used to quantify and compare the sensitivity of different species to the variation of fundamental constants. The dimensionless coefficients K are related to the fractional sensitivity, while dimensional factors q are related to the absolute sensitivity. Here, several common errors and misconceptions regarding these coefficients that frequently appear in the literature are discussed.
Photoredox/Nickel‐Catalyzed Single‐Electron Tsuji–Trost Reaction: Development and Mechanistic Insights
Authors: Matsui Jennifer K. , Gutiérrez‐Bonet Álvaro , Rotella Madeline , Alam Rauful , Gutierrez Osvaldo , Molander Gary A.
Published: October 2018

A regioselective, nickel‐catalyzed photoredox allylation of secondary, benzyl, and α‐alkoxy radical precursors is disclosed. Through this manifold, a variety of linear allylic alcohols and allylated monosaccharides are accessible in high yields under mild reaction conditions. Quantum mechanical calculations [DFT and DLPNO‐CCSD(T)] support the mechanistic hypothesis of a Ni0 to NiII oxidative addition pathway followed by radical addition and inner‐sphere allylation.
The In Situ Sulfidation of Cu2O by Endogenous H2S for Colon Cancer Theranostics
Authors: An Lu , Wang Xiaodong , Rui Xichuan , Lin Jiaomin , Yang Hong , Tian Qiwei , Tao Cheng , Yang Shiping
Published: October 2018

Expression of a high concentration of H2S is closely related to the formation of colon cancer tumors. However, only a few H2S‐triggered theranostics agents for colon cancer have been reported to date. Now, a turn‐on theranostics agent was developed by utilizing the in situ reaction of Cu2O and endogenous H2S at colon tumor sites. Based on in vitro and in vivo experiments, excellent photoacoustic imaging and photothermal therapy were both confirmed by this in situ reaction‐activated colon cancer theranostics method. This work established a simple and efficient strategy for both diagnosis and treatment of colon cancer with a novel trigger mechanism, which provides a new route for colon cancer theranostics based on the in situ reactions at the tumor sites.
Catalytic Reductive N‐Alkylations Using CO2 and Carboxylic Acid Derivatives: Recent Progress and Developments
Authors: Cabrero‐Antonino Jose R. , Adam Rosa , Beller Matthias
Published: October 2018

N‐Alkylamines are key intermediates in the synthesis of fine chemicals, dyes, and natural products, and hence are highly valuable building blocks in organic chemistry. Consequently, the development of greener and more efficient procedures for their production continues to attract the interest of both academic and industrial chemists. Reductive procedures such as reductive amination or N‐alkylation through hydrogen autotransfer by employing carbonyl compounds or alcohols as alkylating agents have prevailed for the synthesis of amines. In the last few years, carboxylic/carbonic acid derivatives and CO2 have been introduced as alternative and convenient alkylating sources. The safety, easy accessibility, and high stability of these reagents makes the development of new reductive transformations with them as N‐alkylating agents a useful alternative to existing procedures. In this Review, we summarize reported examples of one‐pot reductive N‐alkylation methods that use carboxylic/carbonic acid derivatives or CO2 as alkylating agents.
Immobilized Cu(II) Schiff base complex supported on Fe3O4 magnetic nanoparticles: A highly efficient and reusable new catalyst for the synthesis of pyranopyridine derivatives
Authors: Azarifar Davood , Mahmoudi‐GomYek Samaneh , Ghaemi Masoumeh
Published: October 2018

A new copper(II) Schiff base complex immobilized on silica‐coated nanomagnetic Fe3O4 was synthesized from acetylacetonate (acac) and 2‐aminothiophenol (ATP). The newly synthesized nanocatalyst, Fe3O4@SiO2‐acac‐2ATP‐Cu(II), was structurally characterized using several analytical techniques. The catalytic activity of the Fe3O4@SiO2‐acac‐2ATP‐Cu(II) nanoparticles was investigated for the synthesis of pyrano[2,3‐b]pyridine derivatives from the one‐pot three‐component reaction of aldehydes, malononitrile and 3‐cyano‐6‐hydroxy‐4‐methylpyridin‐2(1H)‐one. A high catalytic performance was exhibited by this nanocatalyst under solvent‐free conditions and excellent yields of the products were achieved in reasonably short reaction times. The nanoparticles could be easily separated from the reaction mixture simply by magnetic decantation and reused for several consecutive runs without significant loss of catalytic activity.
Biological evaluation, DNA/protein‐binding aptitude of novel dibenzosuberene appended palladium (II)‐thiourea complexes
Authors: Rohini Gandhaveeti , Ramaiah Konakanchi , Aneesrahman K. N. , Aryasenan Mohana C. , Bhuvanesh Nattamai S. P. , Reddy Kotha Laxma , Sreekanth Anandaram
Published: October 2018

Four novel Pd (II)‐thiourea square‐planar derivatives of the type [PdCl2L2] (L = N‐dibenzosuberenyl appended aroyl/acylthiourea ligand) (1–4) were synthesized and well characterized. The neutral monodentate S coordination of ligand with palladium (II) ion was confirmed by single crystal X‐ray diffraction method. In vitro calf thymus DNA (CT‐DNA) interaction studies were investigated, and the results of the complexes showed the intercalative mode of binding (in the order of 1 > 3 > 2 > 4) with complexes. The binding affinity of the compounds with bovine serum albumin (BSA) was studied, and it was found that the binding affinity of the complexes with DNA and BSA was different. In addition, the antimicrobial activity evaluation results revealed that compound 2 has registered excellent antibacterial activity against four strains, and also compounds 2 and 4 have shown good antifungal activity against the microorganisms compared with their reference drugs. The scavenging activity of compound 3 showed potent activity with an IC50 value of 6.95 ± 1.81 μM. Furthermore, the in vitro anti‐proliferative activity results clearly suggested that complex 3 showed most potent cytotoxic activity against human neuroblastoma (IMR‐32) cell line, with an IC50 value of 15.21 ± 0.359 μM compared with the reference drug.
The β‐cyclodextrin decorated with palladium nanoparticles without pretreatment: An efficient heterogeneous catalyst for biaryls synthesis
Authors: Feiz Afsaneh , Loni Masood , Naderi Soheila , Bazgir Ayoob
Published: October 2018

β‐Cyclodextrin decorated with palladium nanoparticles (PdNPs@β‐CD) without pretreatment led to a suitable catalyst for the biaryls synthesis in water. A simple and straightforward method was developed for the preparation of PdNPs@β‐CD as a green catalyst. The prepared catalyst was characterized by Fourier‐transform infrared spectroscopy (FT‐IR), thermogravimetric analysis (TGA), X‐ray diffraction (XRD), atomic absorption spectroscopy (AAS), transmission electron microscopy (TEM), and energy‐dispersive X‐ray spectroscopy (EDS) measurements. It was found that PdNPs@β‐CD exhibits high performance in Ullmann, Suzuki and Hiyama coupling reactions.
Looking beyond fishing: Conservation of keystone freshwater species to support a diversity of socio‐economic values
Authors: Noble Mae M. , Fulton Christopher J. , Pittock Jamie
Published: October 2018

Keystone species can provide a focal point for designing conservation and management strategies that protect a diversity of social–ecological values in aquatic ecosystems; however, to avoid bias towards a subset of values associated with a single activity, such as fishing, stakeholder consultations must cover a spectrum of social perspectives.

Using the Murray crayfish (Euastacus armatus) as a model, this study explored how Aboriginal Traditional Owners, landowners, tourism businesses, scientific researchers, non‐governmental organizations, and government agencies valued this threatened freshwater species across south‐east Australia.

Qualitative methods revealed that E. armatus is a culturally significant species, targeted for fishing, but is also valued for a range of non‐extractive reasons that support social–ecological linkages between people and freshwater ecosystems.

Perceived as an iconic species by most stakeholders, there was general support for E. armatus to be used as a flagship for conserving a spectrum of social–ecological values (e.g. Aboriginal Traditional Owner totem species), attached to their local freshwater ecosystems. Although stakeholders were conflicted over whether fishing should continue, four themes emerged on how to develop more equitable and effective conservation and management strategies: increased public education, co‐management with non‐government stakeholders, federal government co‐ordination, and spatial protection of critical areas.

The protection of aquatic species in ways that support their full range of cultural, economic, and ecological values will require more bottom‐up (i.e. stakeholder‐led) approaches to conservation and management design. Broader stakeholder engagement and co‐management should reduce perceptions that local stakeholders are isolated from management processes, while increasing the capacity and confidence of managers to implement strategies that bolster both the social and ecological resilience of aquatic ecosystems.
Pain Susceptibility Phenotypes in Those Free of Knee Pain With or at Risk of Knee Osteoarthritis: The Multicenter Osteoarthritis Study
Authors: Carlesso Lisa C. , Segal Neil A. , Frey‐Law Laura , Zhang Yuqing , Na Lu , Nevitt Michael , Lewis Core E. , Neogi Tuhina
Published: October 2018

Objective

It is not clear why some individuals develop pain with knee osteoarthritis (OA). We undertook this study to identify pain susceptibility phenotypes (PSPs) and their relationship to incident persistent knee pain (PKP) 2 years later.

Methods

We identified individuals free of PKP from the Multicenter Osteoarthritis Study, a longitudinal cohort of older adults with or at risk of knee OA. Latent class analysis was used to determine PSPs that may contribute to development of PKP apart from structural pathology. These included widespread pain, poor sleep, and psychological factors as well as pressure pain threshold and temporal summation (TS) as determined by quantitative sensory testing (QST). We used logistic regression to evaluate the association of sociodemographic factors with PSPs and the relationship of PSPs to the development of PKP over 2 years.

Results

A total of 852 participants were included (mean age 67 years, body mass index 29.5 kg/m2, 55% women). Four PSPs were identified, primarily characterized by varying proportions (low/absent, moderate, or high) of the presence of pressure pain sensitivity and of facilitated TS, reflecting different measures of sensitization. Subjects in the PSP with a high proportion of pressure pain sensitivity and a moderate proportion of facilitated TS were twice as likely to develop incident PKP over 2 years (odds ratio 1.98 [95% confidence interval 1.07–3.68]) compared with subjects in the PSP having a low proportion of sensitization by both measures.

Conclusion

Four PSPs were identified, 3 of which were predominated by QST evidence of sensitization and 1 of which was associated with developing PKP 2 years later. Prevention or amelioration of sensitization may be a novel approach to preventing onset of PKP in OA.
Evaluation of occupational exposure to static magnetic field in MRI sites based on body pose estimation and SMF analytical computation
Authors: Belguerras Lamia , Kadkhodamohammadi A.Rahim , Delmas Antoine , Miralipoor Meysam , Weber Nicolas , Gangi Afshin , Felblinger Jacques , Padoy Nicolas , Pasquier Cédric
Published: October 2018

This paper tackles the problem of estimating exposure to static magnetic field (SMF) in magnetic resonance imaging (MRI) sites using a non‐invasive approach. The proposed approach relies on a vision‐based system to detect people's body parts and on a mathematical model to compute SMF exposure. A multi‐view camera system was used to capture the MRI room, and a vision‐based system was applied to detect body parts. The detected localization was then fed into a mathematical model to compute SMF exposure. In this study, we focused on exposure at the neck due to two main reasons. First, according to regulations, the limit of exposure at head and trunk for MR workers is higher than that for the general public. Second, it was easier to attach a dosimeter at the neck to perform measurements, which allowed a quantitative evaluation of our approach. This approach was applied to two scenarios simulating the daily movements of medical workers for which dosimeter measurements were also recorded. The results indicated that the proposed approach predicted occupational SMF exposure with reasonable accuracy compared with the dosimeter measurements. The proposed approach is a simple safe working procedure to estimate the exposure of MR workers at different parts of the body without wearing any marker detection. It can be applied to reduce occupational SMF exposure, without changes in workers’ performances. For that reason, our non‐invasive proposed method can be used as a simple safety tool to estimate occupational SMF exposure in MR sites. Bioelectromagnetics. 39:503–515, 2018.© 2018 Wiley Periodicals, Inc.
Sustainability core values and sustainability risk management: Moderating effects of top management commitment and stakeholder pressure
Authors: Wijethilake Chaminda , Lama Tek
Published: October 2018

This study examines the moderating effects of top management commitment and stakeholder pressure on the relationship between sustainability core values and sustainability risk management (SRM). We collected survey data from senior management in both local and multinational organisations in Sri Lanka. Data were analysed via partial least squares structural equation modelling. We find that the extent to which organisations integrate sustainability into core values has a significant positive impact on SRM. As predicted, top management commitment to sustainability positively moderates the relationship. However, contrary to our expectation, stakeholder pressure for sustainability shows a negative effect on the relationship. We add novel insights into the strategic conformity of internal and external sustainability drivers on SRM.
Strong impact of sulfotransferases on DNA adduct formation by 4‐aminobiphenyl in bladder and liver in mice
Authors: Li Yun , Chen Zhidan , Paonessa Joseph D. , Meinl Walter , Bhattacharya Arup , Glatt Hansruedi , Vouros Paul , Zhang Yuesheng
Published: October 2018

Bladder cancer risk is 3‐4 times higher in men than women, but the reason is poorly understood. In mice, male bladder is also more susceptible than female bladder to 4‐aminobiphenyl (ABP), a major human bladder carcinogen; however, female liver is more susceptible than male liver to ABP. We investigated the role of sulfotransferase (Sult) in gender‐related bladder and liver susceptibility to ABP. Sulfation reactions of aromatic amine bladder carcinogens catalyzed by Sult may generate highly unstable and toxic metabolites. Therefore, liver Sult may decrease bladder exposure to carcinogens by promoting their toxic reactions in the liver. Notably, the expression of several liver Sults is suppressed by androgen in male mice. Here, we show that two Sults are critical for gender‐related bladder susceptibility to ABP in mice. We measured tissue level of N‐(deoxyguanosin‐8‐yl)‐4‐aminobiphenyl (dG‐C8‐ABP), a principal ABP‐DNA adduct, as readout of tissue susceptibility to ABP. We identified Sutl1a1 and to a lesser extent Sult1d1 as Sults that promote dG‐C8‐ABP formation in hepatic cells. In mice, gender gap in bladder susceptibility to ABP was narrowed by knocking out Sult1a1 and was almost totally eliminated by knocking out both Sutl1a1 and Sult1d1. This was accompanied by dramatic decrease in ABP genotoxicity in the liver (>97%). These results show the strong impact of the Sults on bladder and liver susceptibility to a human carcinogen. Because liver expression of both Sult1a1 and Sutl1d1 is suppressed by androgen in male mice, our results suggest that androgen renders bladder more exposed to ABP in male mice by suppressing Sult‐mediated ABP metabolism in liver, which increases bladder delivery of carcinogenic metabolites.
Histone Tail Sequences Balance Their Role in Genetic Regulation and the Need To Protect DNA against Destruction in Nucleosome Core Particles Containing Abasic Sites
Authors: Yang Kun , Greenberg Marc M.
Published: October 2018

Abasic sites (AP) are produced 10 000 times per day in a single cell. Strand cleavage at AP is accelerated ≈100‐fold within a nucleosome core particle (NCP) compared to free DNA. The lysine‐rich N‐terminal tails of histone proteins catalyze single‐strand breaks through a mechanism used by base‐excision‐repair enzymes, despite the general dearth of glutamic acid, aspartic acid, and histidine—the amino acids that are typically responsible for deprotonation of Schiff base intermediates. Incorporating glutamic acid, aspartic acid, or histidine proximal to lysine residues in histone N‐terminal tails increases AP reactivity as much as sixfold. The rate acceleration is due to more facile DNA cleavage of Schiff‐base intermediates. These observations raise the possibility that histone proteins could have evolved to minimize the presence of histidine, glutamic acid, and aspartic acid in their lysine‐rich N‐terminal tails to guard against enhancing the toxic effects of DNA damage.
π‐Allylpalladium Species in Micelles of FI‐750‐M for Sustainable and General Suzuki‐Miyaura Couplings of Unactivated Quinoline Systems in Water
Authors: Handa Sachin , Ibrahim Faisal , Ansari Tharique N. , Gallou Fabrice
Published: October 2018

The front cover artwork for issue 19/2018 is a collaboration between the University of Louisville (USA) and Novartis Pharmaceuticals at Basel (Switzerland). The image illustrates the high‐stability and recyclability of π‐allyl palladium in the micelles of recently designed amphiphile FI‐750‐M to conduct cross‐couplings of unactivated quinolines in water under mild conditions. See the Full Paper itself at https://doi.org/10.1002/cctc.201800958.
Organic Dyes based on Tetraaryl‐1,4‐dihydropyrrolo‐[3,2‐b]pyrroles for Photovoltaic and Photocatalysis Applications with the Suppressed Electron Recombination
Authors: Wang Jinfeng , Chai Zhaofei , Liu Siwei , Fang Manman , Chang Kai , Han Mengmeng , Hong Li , Han Hongwei , Li Qianqian , Li Zhen
Published: October 2018

A tetraaryl‐1,4‐dihydropyrrolo‐[3,2‐b]pyrroles (TAPP) moiety with the combination of two pyrrole rings and four phenyl moieties demonstrated strong electron‐donating ability and nonplanar configuration simultaneously. Once incorporated into the organic dyes as a novel electron donor, it was beneficial for the enhancement of light‐harvesting ability and suppression of electron recombination in the photovoltaic and photocatalysis systems. With the linkage of tunable conjugated bridges and electron acceptor, the corresponding organic dyes exhibited improved photovoltaic performance in dye‐sensitized solar cells and facilitated photocatalytic hydrogen generation with a highest turnover number (TON) of 4337. Through the detailed investigation of relationship between molecular structures and photovoltaic/photocatalysis property, the connection and difference in molecular design for these two systems are well explained, with the aim to promote the application of dye‐sensitized technology in various fields.
Mapping the Magnetic Anisotropy at the Atomic Scale in Dysprosium Single‐Molecule Magnets
Authors: Klahn Emil A. , Gao Chen , Gillon Beatrice , Gukasov Arsen , Fabrèges Xavier , Piltz Ross O. , Jiang Shang‐Da , Overgaard Jacob
Published: October 2018

Invited for the cover of this issue is the group of Shang‐Da Jiang at Peking University and Jacob Overgaard at Aarhus University. Read the full text of the article at 10.1002/chem.201803300.
Synthesis and Characterization of the First Tin Fluoride Borate Sn3[B3O7]F with Second Harmonic Generation Response
Authors: Schönegger Sandra , Jantz Stephan G. , Saxer Andreas , Bayarjargal Lkhamsuren , Winkler Björn , Pielnhofer Florian , Höppe Henning A. , Huppertz Hubert
Published: October 2018

Invited for the cover of this issue is work resulting from an international research cooperation of the Huppertz and Höppe groups (University of Innsbruck, Austria and University of Augsburg, Germany) with Lkhamsuren Bayarjargal associated to the Winkler Group (University of Frankfurt, Germany), Florian Pielnhofer (University of Regensburg, Germany), and Andreas Saxer (University of Innsbruck, Austria). The image depicts synthesis and crystal structure of the first hydrothermally synthesized tin fluoride borate Sn3[B3O7]F. Read the full text of the article at 10.1002/chem.201803478.
Chemoimmunotherapy with inotuzumab ozogamicin combined with mini‐hyper‐CVD, with or without blinatumomab, is highly effective in patients with Philadelphia chromosome–negative acute lymphoblastic leukemia in first salvage
Authors: Jabbour Elias , Sasaki Koji , Ravandi Farhad , Huang Xuelin , Short Nicholas J. , Khouri Maria , Kebriaei Partow , Burger Jan , Khoury Joseph , Jorgensen Jeffrey , Jain Nitin , Konopleva Marina , Garcia‐Manero Guillermo , Kadia Tapan , Cortes Jorge , Jacob Jovitta , Montalbano Kathryn , Garris Rebecca , O’Brien Susan , Kantarjian Hagop M.
Published: October 2018

Background

The outcomes of patients with relapsed or refractory (R‐R) acute lymphoblastic leukemia (ALL) are poor. Inotuzumab ozogamicin and blinatumomab have single‐agent activity in R‐R ALL. Their addition to low‐intensity chemotherapy may further improve the outcomes of patients with ALL in their first relapse.

Methods

The chemotherapy was lower in intensity than conventional hyperfractionated cyclophosphamide, vincristine, adriamycin, and dexamethasone and was called mini‐hyperfractionated cyclophosphamide, vincristine, and dexamethasone (or mini‐HCVD). Inotuzumab was given on day 3 of each of the first 4 cycles at 1.8 to 1.3 mg/m2 for cycle 1, and this was followed by 1.3 to 1.0 mg/m2 for subsequent cycles. From patient 39 onward, the inotuzumab dose was reduced and fractionated into weekly doses (0.6 and 0.3 mg/m2 during cycle 1 and 0.3 and 0.3 mg/m2 during subsequent cycles), and blinatumomab was administered for up to 4 cycles after inotuzumab therapy.

Results

Forty‐eight patients with Philadelphia chromosome–negative ALL with a median age of 39 years were treated during their first relapse. Overall, 44 patients (92%) responded, with 35 of them (73%) achieving a complete response. The overall minimal residual disease negativity rate among the responders was 93%. Twenty‐four patients (50%) underwent allogeneic stem cell transplantation (ASCT). Veno‐occlusive disease of any grade occurred in 5 patients (10%). With a median follow‐up of 31 months, the median progression‐free survival (PFS) and the median overall survival (OS) were 11 and 25 months, respectively. The 2‐year PFS and OS rates were 42% and 54%, respectively. Of the 24 patients (50%) who underwent ASCT, 14 patients were alive at the last follow‐up (13 [54%] in remission). Of the remaining 20 responding patients who did not undergo subsequent ASCT, 6 (30%) remained in remission at the last follow‐up. According to propensity score matching, the combination of mini‐HCVD and inotuzumab with or without blinatumomab conferred better outcomes than intensive salvage chemotherapy or inotuzumab alone.

Conclusions

The combination of inotuzumab and low‐intensity mini‐HCVD chemotherapy with or without blinatumomab shows encouraging results in patients with ALL in first salvage.
Color Engineering of Silicon Nitride Surfaces to Characterize the Polydopamine Refractive Index
Authors: Vega Milena , Martín del Valle Eva M. , Pérez Maximiliano , Pecharromán Carlos , Marcelo Gema
Published: October 2018

A simple methodology to generate polydopamine (PDA) surfaces featured with color due to thin‐film interference phenomena is presented. It is based on depositing ultra‐thin films of polydopamine on a Si/Si3N4 wafer that exhibits an interferential reflectance maximum right at the visible/UV boundary (∼400 nm). Therefore, a small deposit of PDA modifies the optical path, in such manner that the wavelength of the maximum of reflectance red shifts. Because the human eye is very sensitive to any change of the light spectral distribution at the visible region, very small film thickness changes (∼30 nm) are enough to notably modify the perceived color. Consequently, a controlled deposit of PDA, tune the color along the whole visible spectrum. Additionally, good quality of PDA deposits allowed us to determine the refractive index of polydopamine by ellipsometry spectroscopy. This data can be crucial in confocal skin microscopic techniques, presently used in diagnosis of skin tumors.