bluuebunny/crossref_metadata_2025 huggingface dataset:
The Application of Electrochemical Noise for the Study of Metal Corrosion and Organic Anticorrosion Coatings: A Review
Authors: Lv Jing , Yue Qing‐xian , Ding Rui , Wang Xiao , Gui Tai‐jiang , Zhao Xiao‐dong
Published: November 2020

The electrochemical noise technology and its application in the field of corrosion research are described in this paper. First, the concept, measurement method and data analysis of electrochemical noise are introduced. Then, we discuss the judgment of uniform corrosion, local corrosion and passivation through electrochemical noise. At the same time, electrochemical noise can also distinguish different local corrosion forms, such as pitting corrosion and crevice corrosion. Secondly, the mechanism and chemical kinetics of using electrochemical noise to study the pitting process are discussed. For anticorrosion coatings, electrochemical noise can give the corrosion situation and peeling degree under the coating, and then evaluate the anticorrosion performance of the coating. Finally, while discussing the application prospects of the technology, we also point out the ideal assumptions and data reliability problems currently faced by electrochemical noise technology.
Zinc Oxide Defect Microstructure and Surface Chemistry Derived from Oxidation of Metallic Zinc: Thin‐Film Transistor and Sensor Behavior of ZnO Films and Rods
Authors: Hoffmann Rudolf C. , Sanctis Shawn , Liedke Maciej O. , Butterling Maik , Wagner Andreas , Njel Christian , Schneider Jörg J.
Published: November 2020

Zinc oxide thin films are fabricated by controlled oxidation of sputtered zinc metal films on a hotplate in air at temperatures between 250 and 450 °C. The nanocrystalline films possess high relative densities and show preferential growth in (100) orientation. Integration in thin‐film transistors reveals moderate charge carrier mobilities as high as 0.2 cm2 V−1s−1. The semiconducting properties depend on the calcination temperature, whereby the best performance is achieved at 450 °C. The defect structure of the thin ZnO film can be tracked by Doppler‐broadening positron annihilation spectroscopy as well as positron lifetime studies. Comparably long positron lifetimes suggest interaction of zinc vacancies (VZn) with one or more oxygen vacancies (VO) in larger structural entities. Such VO‐VZn defect clusters act as shallow acceptors, and thus, reduce the overall electron conductivity of the film. The concentration of these defect clusters decreases at higher calcination temperatures as indicated by changes in the S and W parameters. Such zinc oxide films obtained by conversion of metallic zinc can also be used as seed layers for solution deposition of zinc oxide nanowires employing a mild microwave‐assisted process. The functionality of the obtained nanowire arrays is tested in a UV sensor device. The best results with respect to sensor sensitivity are achieved with thinner seed layers for device construction.
1,7,9,10‐Tetrasubstituted PMIs Accessible through Decarboxylative Bromination: Synthesis, Characterization, Photophysical Studies, and Hydrogen Evolution Catalysis
Authors: Costabel Daniel , Skabeev Artem , Nabiyan Afshin , Luo Yusen , Max Johannes B. , Rajagopal Ashwene , Kowalczyk Daniel , Dietzek Benjamin , Wächtler Maria , Görls Helmar , Ziegenbalg Dirk , Zagranyarski Yulian , Streb Carsten , Schacher Felix H. , Peneva Kalina
Published: November 2020

In this work, we present a new synthetic strategy for fourfold‐substituted perylene monoimides via tetrabrominated perylene monoanhydrides. X‐ray diffraction analysis unveiled the intramolecular stacking orientation between the substituents and semicircular packing behavior. We observed the remarkable influence of the substituent on the longevity and nature of the excited state upon visible light excitation. In the presence of poly(dehydroalanine)‐graft‐poly(ethylene glycol) graft copolymers as solubilizing template, the chromophores are capable of sensitizing [Mo3S13]2− clusters in aqueous solution for stable visible light driven hydrogen evolution over three days.
Isomers of B←N‐Fused Dibenzo‐azaacenes: How B←N Affects Opto‐electronic Properties and Device Behaviors?
Authors: Min Yang , Dou Chuandong , Tian Hongkun , Liu Jun , Wang Lixiang
Published: November 2020

The B←N unit has a large dipole and it is isoelectronic to C−C moiety with no dipole. Incorporating B←N units into π‐conjugated system is a powerful strategy to design organic small molecules and polymers with intriguing opto‐electronic properties and excellent opto‐electronic device performance. However, it is unclear how the B←N unit affects electronic structures and opto‐electronic properties of large π‐conjugated molecules. In this work, to address this question, we developed three dibenzo‐azaacene molecules in which two B←N units were introduced at different positions. Although the dibenzo‐azaacene skeleton is fully π‐conjugated, the effect of B←N unit on the electronic structures of the adjacent rings is much stronger than that of the distant rings. As a result, the three molecules with isomerized B←N incorporation patterns possess different electronic structures and exhibit tunable opto‐electronic properties. Among the three molecules, the centrosymmetrical molecule exhibits higher LUMO/HOMO energy levels than those of the two axisymmetrical molecules. When used as the active layer in organic field‐effect transistors (OFETs), while the two axisymmetrical molecules show unipolar electron transporting property, the centrosymmetrical molecule exhibits ambipolar hole and electron transporting behavior. This work not only deepens our understanding on organoboron π‐conjugated molecules, but also indicates a new strategy to tune opto‐electronic properties of organic semiconductors for excellent device performance.
Tris(pentafluoroethyl)difluorophosphorane: A Versatile Fluoride Acceptor for Transition Metal Chemistry
Authors: Föhrenbacher Steffen A. , Krahfuss Mirjam J. , Zapf Ludwig , Friedrich Alexandra , Ignat'ev Nikolai V. , Finze Maik , Radius Udo
Published: November 2020

Fluoride abstraction from different types of transition metal fluoride complexes [LnMF] (M=Ti, Ni, Cu) by the Lewis acid tris(pentafluoroethyl)difluorophosphorane (C2F5)3PF2 to yield cationic transition metal complexes with the tris(pentafluoroethyl)trifluorophosphate counterion (FAP anion, [(C2F5)3PF3]−) is reported. (C2F5)3PF2 reacted with trans‐[Ni(iPr2Im)2(ArF)F] (iPr2Im=1,3‐diisopropylimidazolin‐2‐ylidene; ArF=C6F5, 1 a; 4‐CF3‐C6F4, 1 b; 4‐C6F5‐C6F4, 1 c) through fluoride transfer to form the complex salts trans‐[Ni(iPr2Im)2(solv)(ArF)]FAP (2 a‐c[solv]; solv=Et2O, CH2Cl2, THF) depending on the reaction medium. In the presence of stronger Lewis bases such as carbenes or PPh3, solvent coordination was suppressed and the complexes trans‐[Ni(iPr2Im)2(PPh3)(C6F5)]FAP (trans‐2 a[PPh3]) and cis‐[Ni(iPr2Im)2(Dipp2Im)(C6F5)]FAP (cis‐2 a[Dipp2Im]) (Dipp2Im=1,3‐bis(2,6‐diisopropylphenyl)imidazolin‐2‐ylidene) were isolated. Fluoride abstraction from [(Dipp2Im)CuF] (3) in CH2Cl2 or 1,2‐difluorobenzene led to the isolation of [{(Dipp2Im)Cu}2]2+2 FAP− (4). Subsequent reaction of 4 with PPh3 and different carbenes resulted in the complexes [(Dipp2Im)Cu(LB)]FAP (5 a–e, LB=Lewis base). In the presence of C6Me6, fluoride transfer afforded [(Dipp2Im)Cu(C6Me6)]FAP (5 f), which serves as a source of [(Dipp2Im)Cu)]+. Fluoride abstraction of [Cp2TiF2] (7) resulted in the formation of dinuclear [FCp2Ti(μ‐F)TiCp2F]FAP (8) (Cp=η5‐C5H5) with one terminal fluoride ligand at each titanium atom and an additional bridging fluoride ligand.
Application of transesophageal echocardiography for localization in totally implantable venous access port implantation through subclavian approach in children
Authors: Yang Shujun , Kong Xiangru , Liu Lifei , Xu Ying , Zhang Jun
Published: November 2020

A totally implantable venous access port (TIVAP) is important in children who need intravenous infusion for a long time. A number of studies have shown methods for locating the tip of the TIVAP catheter. To explore whether transesophageal echocardiography (TEE) can be used to accurately locate the TIVAP catheter tip through a subclavian approach and to improve the rate of correct TIVAP catheter placement and reduce complications of TIVAP placement. In 36 children who needed TIVAP implantation surgery, we used real‐time TEE guidance to place the catheter tip around the crista terminalis. In all children, chest X‐rays were used to figure out whether the catheter tip as localized by TEE was within the T5‐T7 segment. Then, we compared the length of the catheter calculated by the height formula and the actual catheter length applied under TEE guidance. The medical records, surgical details, nursing records, and recorded complications were collected during the follow‐up. The success rate of TIVAP implantation was 100% in all enrolled patients and no hemopneumothorax or pinch‐off syndrome occurred. Compared with TEE, chest X‐ray showed a coincidence rate of 80.56% in correctly detecting the TIVAP catheter tip locate. The height‐derived catheter length (11.0 [9.6, 11.8]) cm and the TEE‐derived catheter length (10.0 [9.3, 10.8]) cm were significantly different (p < .001). TEE can be used to guide TIVAP catheter positioning through a left subclavian approach in children accurately and successfully and more accurate than chest X‐ray and height calculation formula.
Design and Synthesis of Fused Pyridine Building Blocks for Automated Library Generation
Authors: Mora‐Radó Helena , Czechtizky Werngard , Méndez María , Harrity Joseph P. A.
Published: November 2020

We demonstrate that a diboration‐electrocyclization sequence provides access to a range of pyridine‐fused, small‐molecule boronic ester building blocks, and that these are amenable to high‐throughput synthesis leading to biaryl and ether‐linked compound libraries. Moreover, the implementation of an integrated physicochemical and ADME profiling workflow allows accelerated design of novel lead compounds for application in drug‐discovery projects.
Substituent effects on the photophysical properties of 2,9‐substituted phenanthroline copper(I) complexes: a theoretical investigation
Authors: Gourlaouen Christophe , Hamano Ai , Takano Keiko , Daniel Chantal
Published: November 2020

The electronic and nuclear structures of a series of [Cu(2,9‐(X)2‐phen)2]+ copper(I) complexes (phen=1,10‐phenanthroline; X=H, F, Cl, Br, I, Me, CN) in their ground and excited states are investigated by means of density functional theory (DFT) and time‐dependent (TD‐DFT) methods. Subsequent Born‐Oppenheimer molecular dynamics is used for exploring the T1 potential energy surface (PES). The T1 and S1 energy profiles, which connect the degenerate minima induced by ligand flattening and Cu−N bond symmetry breaking when exciting the molecule are calculated as well as transition state (TS) structures and related energy barriers. Three nuclear motions drive the photophysics, namely the coordination sphere asymmetric breathing, the well‐documented pseudo Jahn‐Teller (PJT) distortion and the bending of the phen ligands. This theoretical study reveals the limit of the static picture based on potential energy surfaces minima and transition states for interpreting the luminescent and TADF properties of this class of molecules. Whereas minor asymmetric Cu−N bonds breathing accompanies the metal‐to‐ligand‐charge‐transfer re‐localization over one or the other phen ligand, the three nuclear movements participate to the flattening of the electronically excited complexes. This leads to negligible energy barriers whatever the ligand X for the first process and significant ligand dependent energy barriers for the formation of the flattened conformers. Born‐Oppenheimer (BO) dynamics simulation of the structural evolution on the T1 PES over 11 ps at 300 K confirms the fast backwards and forwards motion of the phenanthroline within 200–300 fs period and corroborates the presence of metastable C2 structures.
Human‐engineered Treg‐like cells suppress FOXP3‐deficient T cells but preserve adaptive immune responses in vivo
Authors: Sato Yohei , Passerini Laura , Piening Brian D , Uyeda Molly Javier , Goodwin Marianne , Gregori Silvia , Snyder Michael P , Bertaina Alice , Roncarolo Maria‐Grazia , Bacchetta Rosa
Published: November 2020

Objectives

Genetic or acquired defects in FOXP3+ regulatory T cells (Tregs) play a key role in many immune‐mediated diseases including immune dysregulation polyendocrinopathy, enteropathy, X‐linked (IPEX) syndrome. Previously, we demonstrated CD4+ T cells from healthy donors and IPEX patients can be converted into functional Treg‐like cells by lentiviral transfer of FOXP3 (CD4LVFOXP3). These CD4LVFOXP3 cells have potent regulatory function, suggesting their potential as an innovative therapeutic. Here, we present molecular and preclinical in vivo data supporting CD4LVFOXP3 cell clinical progression.

Methods

The molecular characterisation of CD4LVFOXP3 cells included flow cytometry, qPCR, RNA‐seq and TCR‐seq. The in vivo suppressive function of CD4LVFOXP3 cells was assessed in xenograft‐versus‐host disease (xeno‐GvHD) and FOXP3‐deficient IPEX‐like humanised mouse models. The safety of CD4LVFOXP3 cells was evaluated using peripheral blood (PB) humanised (hu)‐ mice testing their impact on immune response against pathogens, and immune surveillance against tumor antigens.

Results

We demonstrate that the conversion of CD4+ T cells to CD4LVFOXP3 cells leads to specific transcriptional changes as compared to CD4+ T‐cell transduction in the absence of FOXP3, including upregulation of Treg‐related genes. Furthermore, we observe specific preservation of a polyclonal TCR repertoire during in vitro cell production. Both allogeneic and autologous CD4LVFOXP3 cells protect from xeno‐GvHD after two sequential infusions of effector T cells. CD4LVFOXP3 cells prevent hyper‐proliferation of CD4+ memory T cells in the FOXP3‐deficient IPEX‐like hu‐mice. CD4LVFOXP3 cells do not impede in vivo expansion of antigen‐primed T cells or tumor clearance in the PB hu‐mice.

Conclusion

These data support the clinical readiness of CD4LVFOXP3 cells to treat IPEX syndrome and other immune‐mediated diseases caused by insufficient or dysfunctional FOXP3+ Tregs.
Chitosan‐based fluorescein isothiocyanate film as a highly efficient metal‐free photocatalyst for solar‐light‐mediated direct CH arylation
Authors: Singh Pooja , Yadav Rajesh K. , Kim Tae Wu , Kumar Abhishek , Dwivedi D. K.
Published: November 2020

Development of ecofriendly and low‐cost highly efficient photocatalysis is of importance in the field of chemical synthesis. Currently, various metals‐based organic materials, metal oxide nanoparticles, and metal nanomaterials have been urbanized as light harvesting photocatalysts for direct carbon (C)‐hydrogen (H) arylation of aryl diazonium salts and heteroarenes. These light harvesting photocatalysts, however, still suffer from poor stability, reusability problem, high cost, or less selectivity. Herein, we report the fabrication of a novel chitosan‐based fluorescein isothiocyanate (CBFITC) film photocatalyst and demonstrate its tremendous photocatalytic activity, high yields (97 ± 0.015%), selectivity (99%), and reusability to catalyze the metal free solar‐light‐mediated direct CH arylation of aryl diazonium salts and heteroarenes at ambient temperature. Moreover, CBFITC film photocatalyst can be recycled more than five times without loss of activity, verifying this photocatalyst excellent light harvesting ability and stability. The present approach to fabricate a metal‐free film photocatalyst with the suitable band gap will be a new platform for efficient photocatalytic reaction and provide a new insight into the solar chemical synthesis.
Combining design of experiments, machine learning, and principal component analysis for predicting energy consumption and product quality of a natural gas processing plant
Authors: Khoshnevisan Ladan , Hourfar Farzad , Alhameli Falah , Elkamel Ali
Published: November 2020

Processing natural gas, as a widely used source of energy in our life, is imperative to eliminate the impurities in order to make it consumable. So, appropriate modeling of different units in a real gas processing plant (GPP) is an essential research field. Moreover, high‐dimensional data, with probably unnecessary information, gathered from a real application may lead to complicated models. As a result, the original dataset, obtained through a three‐level design of experiments, should be refined to achieve the most effective observations in a lower dimension vector space. On the other hand, the original dataset needs to be normalized to a standard normal distribution in order to tune the effects of all the variables on the system operation. In this study a radial basis function‐neural network (RBF‐NN) is designed to model the total consumed energy in separation, sweetening, and dehydration units and also the water content in the refined gas in a typical GPP, using a reduced dimension dataset achieved by applying principal component analysis (PCA) on the normalized data. The proposed procedure is evaluated through some well‐known and standard criteria such as error relative deviation, root mean square error, the percentage of the average absolute relative deviation %AARD, sum of squared error, standard deviation, and correlation factor (R2). Simulation and analytical results demonstrate that the designed PCA‐RBF‐NN procedure can precisely model the dynamics of energy consumption and the final water content in a typical GPP with the confidence level of 98.6% through six principal components achieved by PCA technique. Furthermore, small values of the error measurements are obtained while using the developed RBF‐NN model.
Metal‐organic framework‐derived carbon‐cobalt oxysulfide nanocage heterostructure electrode for efficient hybrid supercapacitors
Authors: Ranjith Kugalur Shanmugam , Raju Ganji Seeta Rama , Kwak Cheol Hwan , Ghoreishian Seyed Majid , Huh Yun Suk , Im Ji Sun , Han Young‐Kyu
Published: November 2020

Construction of hybrid supercapacitors (HSCs) with defect engineered electrodes derived from single metal‐organic frameworks (zeolitic imidazolate frameworks, ZIF‐67) via control of the thermal influences showed unique structural features and rich electrochemical properties. Designing the three‐dimensional Co oxysulfide nanograins with carbon frame (CoOS‐C)‐based positive electrode surfaces through sulfidation with tunable defect states along with N‐ and S‐doping states improved the electrical energy storage; further, the possibility of having a carbon‐based skeleton surface influenced the effective rate capability during the charge‐discharge process. This unique nanostructural feature with encapsulation of porous N‐ and S‐doped graphitic carbon enabled improved rate performance by enhancing the stability of the electrode material and shortening the ion‐diffusion paths by the synergistic effect. Owing to the tunable defect functionality, the CoOS‐C based electrode exhibited a high storage capacity of 708.8 C g−1 at 1 A g−1 and an excellent rate capability with long‐term cyclic stability, with more than 93% capacity retention after 3000 cycles. Furthermore, the fabricated HSCs operated within a wide potential window of 1 to 1.6 V, which allowed excellent rate capability with a high‐energy density of 31.7 W h kg−1 at a specific power density of 800 W kg−1 with long‐term cyclic stability up to 10 000 cycles.
Advances in the Synthesis of Benzo‐Fused Spiro Nitrogen Heterocycles: New Approaches and Modification of Old Strategies
Authors: Gataullin Rail R.
Published: November 2020

The review covers the results of studies published in the literature on the synthesis of spiro‐linked heterocycles of the indole, quinoline, benzoxazine, benzothiazine, indenoquinoxaline, pyridopyrimidine, and acridine series. Possible approaches to the synthesis of spirocycles through a sequence of well‐known Knoevenagel, Michael reactions, deamination cyclization of 1,2‐dicarbonyl, CH‐acid compounds, direct cycloaddition of activated olefins to isatins, 3‐alkylideneindoles, 2‐oxindoles, in situ generated azomethine ylides, indenoquinoxalines are analyzed. Attention is drawn to approaches to the preparation of spiro‐fused compounds using reactions of intra‐ and intermolecular dearomatization of indoles. Recent advances in the synthesis of spiro‐linked benzo heterocycles from derivatives of 2‐olefin substituted anilines are summarized. The examples of the synthesis of spiro‐fused heterocycles by means of metal complexes catalyzed decomposition of diazo compounds are given. Some syntheses of biologically active representatives are shown, as well as the use of transformations of spiroheterocycles in the preparation of other heterocycles.
Synthesis of 3‐(trifluoromethyl)‐1‐(perfluorophenyl)‐1H‐pyrazol‐5(4H)‐one derivatives via Knoevenagel condensation and their biological evaluation
Authors: Dengale Sujata G. , Akolkar Hemantkumar N. , Karale Bhausaheb K. , Darekar Nirmala R. , Mhaske Sadhana D. , Shaikh Mubarak H. , Raut Dipak N. , Deshmukh Keshav K.
Published: November 2020

In search of new active molecules, a small focused library of the synthesis of 3‐(trifluoromethyl)‐1‐(perfluorophenyl)‐1H‐pyrazol‐5(4H)‐one derivatives (4a‐d, 5a‐f, and 6a‐e) has been efficiently prepared via the Knoevenagel condensation approach. All the derivatives were synthesized by conventional and nonconventional methods like ultrasonication and microwave irradiation, respectively. Several derivatives exhibited excellent anti‐inflammatory activity compared to the standard drug. Furthermore, the synthesized compounds were found to have potential antioxidant activity. In addition, to rationalize the observed biological activity data, an in silico absorption, distribution, metabolism, and excretion (ADME) prediction study also been carried out. The results of the in vitro and in silico studies suggest that the 3‐(trifluoromethyl)‐1‐(perfluorophenyl)‐1H‐pyrazol‐5(4H)‐one derivatives (4a‐d, 5a‐f, and 6a‐e) may possess the ideal structural requirements for the further development of novel therapeutic agents.
Endoplasmic reticulum stress and oxidative stress drive endothelial dysfunction induced by high selenium
Authors: Zachariah Matshediso , Maamoun Hatem , Milano Larissa , Rayman Margaret P. , Meira Lisiane B. , Agouni Abdelali
Published: November 2020

Selenium is an essential trace element important for human health. A balanced intake is, however, crucial to maximize the health benefits of selenium. At physiological concentrations, selenium mediates antioxidant, anti‐inflammatory, and pro‐survival actions. However, supra‐nutritional selenium intake was associated with increased diabetes risk leading potentially to endothelial dysfunction, the initiating step in atherosclerosis. High selenium causes apoptosis in cancer cells via endoplasmic reticulum (ER) stress, a mechanism also implicated in endothelial dysfunction. Nonetheless, whether ER stress drives selenium‐induced endothelial dysfunction, remains unknown. Here, we investigated the effects of increasing concentrations of selenium on endothelial cells. High selenite reduced nitric oxide bioavailability and impaired angiogenesis. High selenite also induced ER stress, increased reactive oxygen species (ROS) production, and apoptosis. Pretreatment with the chemical chaperone, 4‐phenylbutyrate, prevented the toxic effects of selenium. Our findings support a model where high selenite leads to endothelial dysfunction through activation of ER stress and increased ROS production. These results highlight the importance of tailoring selenium supplementation to achieve maximal health benefits and suggest that prophylactic use of selenium supplements as antioxidants may entail risk.
What is an extinction burst?: A case study in the analysis of transitional behavior
Authors: Katz Brian R. , Lattal Kennon A.
Published: November 2020

Among the tactics of experimental science discussed by Sidman (1960) were those used to study transitional behavior. Drawing from his insights, this review considers an often cited but infrequently analyzed aspect of the transition from reinforcement to extinction: the extinction burst. In particular, the review seeks to answer the question posed in its title. The generic definition of an extinction burst as an increase in response rate following the onset of extinction is found to be wanting, raising more questions than it answers. Because questions of definition in science usually come down to those of measurement, the answer to the title's question is suggested to be found in how behavior prior to extinction is maintained and measured, when and how extinction is introduced, and where in time and how behavior early in extinction is measured. This analysis suggests that a single, uniform, and precise definition of the extinction burst is misguided. Examining how each of these facets contributes to what has been described generically as the extinction burst is a small, but important, part of Sidman's methodological legacy to the experimental analysis of behavior.
Understanding employees’ responses to the COVID‐19 pandemic: The attractiveness of healthcare jobs
Authors: AL‐Abrrow Hadi , Al‐Maatoq Marwa , Alharbi Raed Khamis , Alnoor Alhamzah , Abdullah Hasan Oudah , Abbas Sammar , Khattak Zeeshan Zaib
Published: November 2020

The purpose of this study was to examine the impact of COVID‐19 on the attractiveness of work in the Iraqi health sector by looking at the mediating role of employees' attitudes. A questionnaire survey was used to collect data from 218 health sector employees. The results revealed that there is a significant impact of COVID‐19 pandemic on employees' attitudes that influence their decision to quit the health sector and look for jobs in other sectors. As health sector employees are prone to suffer the most in the pandemic, this crisis significantly affected the attractiveness of jobs in the health sector, leading to an increase in employees' negative attitudes and their desire to leave work.
Automated magnetic resonance image segmentation of the anterior cruciate ligament
Authors: Flannery Sean W. , Kiapour Ata M. , Edgar David J. , Murray Martha M. , Fleming Braden C.
Published: November 2020

The objective of this study was to develop an automated segmentation method for the anterior cruciate ligament that is capable of facilitating quantitative assessments of the ligament in clinical and research settings. A modified U‐Net fully convolutional network model was trained, validated, and tested on 246 Constructive Interference in Steady State magnetic resonance images of intact anterior cruciate ligaments. Overall model performance was assessed on the image set relative to an experienced (>5 years) “ground truth” segmenter in two domains: anatomical similarity and the accuracy of quantitative measurements (i.e., signal intensity and volume) obtained from the automated segmentation. To establish model reliability relative to manual segmentation, a subset of the imaging data was resegmented by the ground truth segmenter and two additional segmenters (A, 6 months and B, 2 years of experience), with their performance evaluated relative to the ground truth. The final model scored well on anatomical performance metrics (Dice coefficient = 0.84, precision = 0.82, and sensitivity = 0.85). The median signal intensities and volumes of the automated segmentations were not significantly different from ground truth (0.3% difference, p = .9; 2.3% difference, p = .08, respectively). When the model results were compared with the independent segmenters, the model predictions demonstrated greater median Dice coefficient (A = 0.73, p = .001; B = 0.77, p = NS) and sensitivity (A = 0.68, p = .001; B = 0.72, p = .003). The model performed equivalently well to retest segmentation by the ground truth segmenter on all measures. The quantitative measures extracted from the automated segmentation model did not differ from those of manual segmentation, enabling their use in quantitative magnetic resonance imaging pipelines to evaluate the anterior cruciate ligament.
Tetrachloroethene respiration in Sulfurospirillum species is regulated by a two‐component system as unraveled by comparative genomics, transcriptomics, and regulator binding studies
Authors: Esken Jens , Goris Tobias , Gadkari Jennifer , Bischler Thorsten , Förstner Konrad U. , Sharma Cynthia M. , Diekert Gabriele , Schubert Torsten
Published: November 2020

Energy conservation via organohalide respiration (OHR) in dehalogenating Sulfurospirillum species is an inducible process. However, the gene products involved in tetrachloroethene (PCE) sensing and signal transduction have not been unambiguously identified. Here, genome sequencing of Sulfurospirillum strains defective in PCE respiration and comparative genomics, which included the PCE‐respiring representatives of the genus, uncovered the genetic inactivation of a two‐component system (TCS) in the OHR gene region of the natural mutants. The assumption that the TCS gene products serve as a PCE sensor that initiates gene transcription was supported by the constitutive low‐level expression of the TCS operon in fumarate‐adapted cells of Sulfurospirillum multivorans. Via RNA sequencing, eight transcriptional units were identified in the OHR gene region, which includes the TCS operon, the PCE reductive dehalogenase operon, the gene cluster for norcobamide biosynthesis, and putative accessory genes with unknown functions. The OmpR‐family response regulator (RR) encoded in the TCS operon was functionally characterized by promoter‐binding assays. The RR bound a cis‐regulatory element that contained a consensus sequence of a direct repeat (CTATW) separated by 17 bp. Its location either overlapping the −35 box or 50 bp further upstream indicated different regulatory mechanisms. Sequence variations in the regulator binding sites identified in the OHR gene region were in accordance with differences in the transcript levels of the respective gene clusters forming the PCE regulon. The results indicate the presence of a fine‐tuned regulatory network controlling PCE metabolism in dehalogenating Sulfurospirillum species, a group of metabolically versatile organohalide‐respiring bacteria.
TUG1 long non‐coding RNA enlists the USF1 transcription factor to overexpress ROMO1 leading to hepatocellular carcinoma growth and metastasis
Authors: Liu Shihai , Qiu Jing , He Weitai , Geng Chao , He Guifang , Liu Changchang , Cai Duo , Liu Xiangping , Tian Ben , Pan Huazheng
Published: November 2020

Hepatocellular carcinoma (HCC) is a prevalent and highly aggressive cancer. Long non‐coding RNAs (lncRNAs) are recognized as potential molecular targets for HCC and are currently under increased research focus. Here, we investigate the regulatory processes underlying the axis of the lncRNA taurine upregulated gene 1 (TUG1), Upstream Transcription Factor 1 (USF1), and reactive oxygen species modulator 1 (ROMO1) in the propagation and metastasis of HCC cells. Distribution of lncRNA TUG1 was found to be prominent in HCC cell cytoplasm and nuclei. LncRNA TUG1 conscripted the USF1 transcription factor to enhance the promoter function of ROMO1. Enlisting the USF1 transcription factor to increase ROMO1 expression following upregulation of TUG1 lncRNA enhanced HCC Huh7 cell proliferation, motility, and metastasis. Rapid tumor proliferation in nude mice provided in vivo verification. The importance of the lncRNA TUG1/USF1/ROMO1 complex as a target for HCC therapy is a key result of this investigation which is exemplified by its role in regulating the proliferation, motility, and metastasis of HCC cells.
Downregulation of gene expression and the outcome of ICSI in severe oligozoospermic patients: A preliminary study
Authors: Sadakierska‐Chudy Anna , Patrylak J. , Janeczko J. , Chudy J.
Published: November 2020

Preimplantation embryo development might be influenced by a specific set of transcripts that are delivered to the oocyte by the sperm. The aim of the study was to determine the relationship between the level of selected transcripts in spermatozoa and preimplantation development of the embryos in couples with severe oligozoospermia undergoing intracytoplasmic sperm injection (ICSI) procedure. Therefore, we assessed messenger RNA (mRNA) levels of genes involved in fertilization events, oocyte activation, chromatin remodeling, and DNA repair in severe oligozoospermic compared with normozoospermic men as well as morphokinetic parameters of embryos using the time‐lapse imaging system. mRNA profiling (44 genes), in mature sperm, was carried out with custom‐designed 384‐well TLDA Cards. The morphokinetic parameters of zygotes and embryos were recorded by using a time‐lapse imaging system. The transcript levels of 21 genes were significantly decreased in the severe oligozoospermic group. Most were associated with fertilization events, oocyte activation and embryonic genome activation. Among them, mRNA of AKAP4 and PTK7 was greatly reduced, moreover, the transcripts of PLCζ and POU5F1, essential for OA and EGA, were not detected at all in patients with severe oligozoospermia. Moreover, the reduced expression of genes important for spermatogenesis, chromatin remodeling and DNA repair was also observed in this group. Time‐lapse analysis revealed that fertilization failure occurred in 14% of retrieved oocytes and 90% of all degenerated embryos did not reach morula stage. This study provides preliminary results indicating a significant decrease in transcripts of genes important for spermatogenesis and early preimplantation development in the mature sperm of men with severe oligozoospermia.
A feasibility study of an integrated couples‐based supportive programme for Chinese couples living with colorectal cancer
Authors: Luo Xingjuan , Li Jieyu , Cao Qian , Sun Liya , Chen Ying , Zhao Jie , Li Qiuping
Published: November 2020

Aim

To test the feasibility, acceptability and preliminary efficacy of using an integrated approach combined online and in‐person delivery to support colorectal cancer (CRC) patients and their spousal caregivers coping positively with cancer together.

Design

A single‐arm pre–post‐feasibility design was used.

Methods

Chinese CRC patient‐partner dyads (N = 24) accessed the blended intervention combined online platform and face‐to‐face sessions for six weeks between October 2019 to January 2020. Feasibility was measured through recruitment and retention and acceptability was examined by intervention engagement and post‐treatment programme evaluation. Effect sizes were calculated using the complete data (N = 20 couple dyads) to evaluate preliminary treatment effect.

Results

Recruitment (70.6%) and retention rates (83.3%) supported programme feasibility. Participants’ positive intervention engagements and evaluations indicated acceptability. The overall small‐to‐medium improvements in most outcome measures verified preliminary efficacy of the integrated couples‐based supportive programme. The findings support its feasible and acceptable for couples coping with CRC and show potential efficacy.
Teaching bioscience to nursing students—What works?
Authors: Knutstad Unni , Småstuen Milada Cvancarova , Jensen Kari Toverud
Published: November 2020

Aim

To compare the effects of flipped classroom and traditional auditorium lectures, on nursing students’ examination results in bioscience.

Design

An educational intervention study.

Methods

All the first‐year students in the bachelor programme (N = 493) were entered into a database and randomly assigned to the intervention or the control group in a course in bioscience. The outcome measures are the proportion of students who passed the examination, and the distribution of grades from A to E. Chi‐square tests and Mann–Whitney Wilcoxon test were used. The odds to pass versus fail were modelled using binary logistic regression.

Results

The proportion of students who did not pass the final examination was very similar in the intervention and the control groups, 21.4% and 23.6% (p = .574). Our data did not reveal any statistically significant differences concerning the distribution of grades (p = .691). Students with biology and/or natural science had higher odds for passing.
Extracardiac Doppler indices predict perinatal mortality in fetuses with Ebstein anomaly and tricuspid valve dysplasia
Authors: Wang Shuo , Freud Lindsay R. , Detterich Jon , Moon‐Grady Anita J. , Donofrio Mary T. , Jaeggi Edgar T. , Szwast Anita L. , Morris Shaine A. , Kavanaugh‐Mchugh Ann , Howley Lisa W. , van der Velde Mary E. , Cuneo Bettina F. , Phoon Colin K. , Tworetzky Wayne , Pruetz Jay D.
Published: November 2020

Objectives

Ebstein anomaly and tricuspid valve dysplasia (EA/TVD) carry high perinatal mortality. Past studies have focused on cardiac predictors of mortality; we sought to describe the fetal echo (FE) extracardiac Dopplers in this cohort and determine their association with perinatal mortality.

Method

Fetuses with EA/TVD at 23 centers from 2005–2011 were included for retrospective study. Doppler pattern and velocity of the umbilical artery (UA), umbilical vein (UV), ductus venosus (DV), and middle cerebral artery (MCA) were collected. Bivariate and multivariate analyzes were performed. The primary outcome measure was perinatal mortality, defined as fetal demise or neonatal death.

Results

Of 190 cases that met eligibility criteria, alterations were seen in 50% of UA, 16% of UV, 48% of DV, and 8% of MCA Doppler indices on the last FE (median 27.4 weeks). Independent predictors of perinatal mortality included abnormal UA Doppler pattern of absence or reversed end diastolic flow (OR 9.7) and UV velocity z score <1 (OR 2.5), in addition to diagnosis <32 weeks (OR 4.2) and tricuspid valve (TV) annulus z score ≥6 (OR 5.3).

Conclusion

Abnormal UA Doppler pattern and decreased UV velocity are independent predictors of perinatal mortality in EA/TVD fetuses and should be used to refine mortality risk and guide perinatal management.
Study of psychological state of cancer patients undergoing radiation therapy during novel coronavirus outbreak and effects of nursing intervention
Authors: Lou Shuchang , Xu Dejing , Li Xiaodong , Huan Yan , Li Jun
Published: November 2020

Objective

To investigate psychological state of hospitalized cancer patients undergoing radiation therapy and evaluate effects of customized psychological intervention on patients' psychological state during novel Coronavirus (COVID‐19) outbreak.

Method

Fifty‐eight hospitalized head and neck cancer patients undergoing radiation therapy were included and received online and offline psychological intervention. General information questionnaire and the Self‐Report Symptom Inventory, Symptom Check‐List90 (SCL‐90) were utilized to investigate and analyze psychological state of hospitalized head and neck cancer patients undergoing radiation therapy before and after intervention. Self‐Rating Depression Scale (SDS) and Self‐Rating Anxiety Scale (SAS) were used to evaluate depression severity and anxiety severity of them.

Results

Overall psychological state of patients (include nine symptom dimensions: somatization, obsessive, interpersonal sensitivity, depression, anxiety, hostility, phobic anxiety, paranoid ideation, and psychoticism) was improved significantly after intervention (P < .05). Moreover, scores of SAS and SDS were lowered.

Conclusion

Customized psychological intervention helped to improve overall psychological state of hospitalized cancer patients undergoing radiation therapy during COVID‐19 outbreak and showed encouraging effects on reduction severity of depression and anxiety.
Next generation sequencing based detection of 15 target genes mutations in papillary thyroid carcinoma
Authors: Wang Zhuo , Jing Changwen , Cao Haixia , Liu SiWen , Wu Jianzhong , Ma Rong
Published: November 2020

Objectives

Next generation sequencing (NGS) method provided a valuable tool for a comprehensive understanding of papillary thyroid carcinoma (PTC) biology. We explored the application of NGS based detection for a panel of 15 target genes mutations and analyzed the gene spectrum in PTC.

Methods

A total of 211 formalin‐fixed, paraffin‐embedded (FFPE) tissue specimens from surgically removed PTC samples were collected and detected with 15 target genes by NGS.

Results

In general, 181 mutations of all types of 15 target genes were detected in 164 samples (77.73% of 211 samples). There were 22.27% samples with no mutation, and 70.14% samples carried mutations in single gene. A total of 7.11% samples simultaneously harboured two gene mutations and 0.47% sample carried triple different gene mutations. The BRAF mutation was the most common mutation type, followed by TERT, RET fusion, TP53, PIK3CA, GNAS, NTRK1 fusion, CTNNB1, NRAS, and HRAS. TSHR, AKT1, PETN, KRAS, and PAX8 mutations were negative among PTC patients. All point mutations found in PTC samples were heterozygous mutations with allelic frequency ranged from 1.12% to 48.04% of alleles. The fusion mutations showed the percent of reads ranged from 2.30% to 55.54%. For samples with carried two mutations, the allelic frequency of mutations was similar. However, for the sample harboured triple gene mutations, the allelic frequency of NRAS mutation was similar to TERT mutation (33.62%‐39.67%) and TP53 mutation showed much lower abundance (4.13%).

Conclusions

NGS‐based detection method showed advantages in detecting multiple gene mutations simultaneously, economically and efficiently, and providing quantitative assessment of mutation frequency using targeted sequencing panel. It can improve the accuracy of diagnosis and prognostication and is useful for providing personalized treatments for PTC patients.
A study of the interfacial chemistry between polymeric methylene diphenyl di‐isocyanate and a Fe–Cr alloy
Authors: Bañuls‐Ciscar Jorge , Trindade Gustavo F. , Abel Marie‐Laure , Phanopoulos Christopher , Pans Griet , Pratelli Daniele , Marcoen Kristof , Hauffman Tom , Watts John F.
Published: November 2020

The interactions of polymeric methylene diphenyl di‐isocyanate (pMDI) and a model Fe–Cr alloy have been studied by X‐ray photoelectron spectroscopy (XPS) and time‐of‐flight secondary ion mass spectrometry (ToF‐SIMS). Films of two different thicknesses have been investigated: one with an extremely thin pMDI layer in which the interfacial chemistry can be probed directly and a thicker one in which sputter profiling using cluster ions is necessary to expose the interface chemistry for direct analysis. Multivariate analysis (MVA), using principal component analysis (PCA) and nonnegative matrix factorisation (NMF), has been used to identify specific ions associated with the interfacial region of the ToF‐SIMS sputter depth profile and chemical species from the XPS sputter depth profile. As an unsupervised method, this avoids an unconscious bias on the part of the analyst. Specific ions associated with pMDI interactions with both Fe and Cr allow the proposal of two complementary reaction mechanisms, supported by the XPS data. A range of cluster ions is used in this investigation, but the bulk of the work used argon clusters for the XPS depth profiles and Buckminster Fullerene projectiles for the ToF‐SIMS analyses. To ensure that such data were directly comparable, the ToF‐SIMS sputter profiles were repeated in a different system of the same type using argon cluster ions.
Functional singular spectrum analysis
Authors: Haghbin Hossein , Najibi Seyed Morteza , Mahmoudvand Rahim , Trinka Jordan , Maadooliat Mehdi
Published: November 2020

In this paper, we develop a new extension of the singular spectrum analysis (SSA) called functional SSA to analyze functional time series. The new methodology is constructed by integrating ideas from functional data analysis and univariate SSA. Specifically, we introduce a trajectory operator in the functional world, which is equivalent to the trajectory matrix in the regular SSA. In the regular SSA, one needs to obtain the singular value decomposition (SVD) of the trajectory matrix to decompose a given time series. Since there is no procedure to extract the functional SVD (fSVD) of the trajectory operator, we introduce a computationally tractable algorithm to obtain the fSVD components. The effectiveness of the proposed approach is illustrated by an interesting example of remote sensing data. Also, we develop an efficient and user‐friendly R package and a shiny web application to allow interactive exploration of the results.
‘Light‐Up’ AIE‐Active Materials: Self‐Assembly, Molecular Recognition and Catalytic Applications
Authors: Kaur Mandeep , Kaur Harpreet , Kumar Manoj , Bhalla Vandana
Published: November 2020

Aggregation induced emission enhancement (AIEE) is one of the most widely explored phenomena to develop ‘light up’ (fluorescent) materials having potential applications in the field of supramolecular chemistry, analytical chemistry and material chemistry. By applying the principles of host‐guest chemistry, we have developed a variety of aggregation induced emission (AIE/AEE) active materials having specific affinity for metal ions, electron deficient/electron rich analytes. The interactions between AIE active assemblies and metal ions are further tuned to prepare nanohybrids having potential applications as catalytic/photocatalytic systems in various organic transformations under eco‐friendly conditions. This account summarizes various design strategies developed in our labortary for the preparation of AIE/AEE active building blocks having sensing and catalytic applications.
Chiral N‐tert‐Butylsulfinyl Imines: New Discoveries
Authors: Foubelo Francisco , Yus Miguel
Published: November 2020

In this account the reactions of chiral N‐tert‐butylsulfinyl imines with organometallic reagents such as organoalkaline (lithium, sodium, potassium and cesium derivatives), organomagnesium, organozinc, organoboron, organoaluminium, organoindium and organosilicon compounds is comprehensively described. The reactivity in all cases is derived to synthetic applications in order to prepare interesting organic nitrogenated molecules, especially in the field of alkaloid compounds.
Coordination Self‐Assembly Processes Revealed by Collaboration of Experiment and Theory: Toward Kinetic Control of Molecular Self‐Assembly
Authors: Hiraoka Shuichi , Takahashi Satoshi , Sato Hirofumi
Published: November 2020

The importance of the collaboration of experiment and theory has been proven in many examples in science and technology. Here, such a new example is shown in the investigation of molecular self‐assembly process, which is a complicated multi‐step chemical reaction occurring in the reaction network composed of a huge number of intermediates. An experimental method, QASAP (quantitative analysis of self‐assembly process), developed by us and a numerical approach, NASAP (numerical analysis of self‐assembly process), that analyzes the experimental data obtained by QASAP to draw detail molecular self‐assembly pathways, which was also developed by us, are introduced, and their application to the investigation of Pd(II)‐mediated coordination assemblies are presented. Further, the possibility of the prediction of the outcomes of molecular self‐assembly by varying the reaction conditions is also demonstrated. Finally, a future direction in the field of artificial molecular self‐assembly based on pathway‐dependent self‐assembly, that is, kinetic control of molecular self‐assembly is discussed.