bluuebunny/crossref_metadata_2025 huggingface dataset:
Detection of intensity peaks in high-resolution transmission electron microscopy image based on YOLOv3
Authors: Nan Hu , Ma Xiao-Jing , Zhao Hai-Bo , Tang Shao-Jie , Liu Wei-Hua , Wang Da-Wei , Jia Chun-Lin ,   School of Microelectronics, Faculty of Electronic and Information Engineering, Xi’an Jiaotong University, Xi’an 710049, China,   School of Automation, Xi’an University of Posts and Telecommunications, Xi’an 710121, China,   Ernst Ruska-Centrum für Mikroskopie und Spektroskopie mit Elektronen (ER-C), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany
Published: December 2020

The detection of intensity peaks, which correspond to atom positions, in high-resolution (scanning) transmission electron microscopy images is of great practical significance. By quantitatively determining the locations of these peaks, it is possible to obtain important information such as the structural deformation and the electric dipole distribution inside a material on the nanoscale. The detection of the peak positions in image processing can be regarded as a target detection problem, for which breakthroughs have been made with deep-learning neural networks. Comparing to the traditional target detection algorithms, which are based on specifically designed feature extractor and classifier, the deep-learning approach can obtain the features at multiple levels of abstraction automatically, thus improving the robustness of the detection process. In this paper, we realize the automatic detection of the intensity peaks in high-resolution electron microscopy images by building a high-quality atomic image sample set and using the YOLOv3 target detection framework. With its accuracy and speed, which are superior over other target detection neural networks, the YOLOv3 is suitable for image processing as the number of images increases explosively. The YOLOv3 network converges well in the training process using our atomic image sample set, with the loss function reaching a minimum after 500 epoches; the trained neural network can detect almost all the major atoms in the images, showing its excellent ability. With the aid of YOLOv3, we also develop a program to organize the detected atoms, enabling the detection of all the other atoms within each unit cell. It is found that, combining YOLOv3 with the newly developed algorithm, almost all the atoms can be successfully determined, showing its advantages over previous algorithms based on bravis lattice construction, especially for high-resolution transmission electron microscopy images with lattice defects. Our results show that this image processing technique has the potential in overcoming the bottleneck in the fast processing of high resolution electron microscopy images.
Preserving inhibition with a disinhibitory microcircuit in the retina
Authors: Chen Qiang , Smith Robert G , Huang Xiaolin , Wei Wei
Published: December 2020

Previously, we found that in the mammalian retina, inhibitory inputs onto starburst amacrine cells (SACs) are required for robust direction selectivity of On-Off direction-selective ganglion cells (On-Off DSGCs) against noisy backgrounds (Chen et al., 2016). However, the source of the inhibitory inputs to SACs and how this inhibition confers noise resilience of DSGCs are unknown. Here, we show that when visual noise is present in the background, the motion-evoked inhibition to an On-Off DSGC is preserved by a disinhibitory motif consisting of a serially connected network of neighboring SACs presynaptic to the DSGC. This preservation of inhibition by a disinhibitory motif arises from the interaction between visually evoked network dynamics and short-term synaptic plasticity at the SAC-DSGC synapse. Although the disinhibitory microcircuit is well studied for its disinhibitory function in brain circuits, our results highlight the algorithmic flexibility of this motif beyond disinhibition due to the mutual influence between network and synaptic plasticity mechanisms.
Dokumentasjon av tuftefelt i Hasvik kommune, Sørøya 2017, under forskningsprosjektet «Stone Age Demographics»
Authors: Skandfer Marianne , Vollan Kenneth Webb Berg , Damm Charlotte
Published: December 2020

I forbindelse med forskningsprosjektet «Stone Age Demographics» (StoneD), initiert innenfor forskningsgruppen SARG (Sub-Arctic Stone Age Research Group), ble det i perioden 26. juni – 2. juli 2017 foretatt arkeologisk feltarbeid i Hasvik kommune, Finnmark. Arbeidet fulgte opp feltarbeidet i 2016 (se Skandfer og Damm 2019), og bestod i ny dokumentasjon av tidligere kjente lokaliteter, samt søk etter og registrering av nye lokaliteter. Feltarbeidet foregikk i områdene Hasfjord – Sørvær og Dønnesfjord/Galtefjorden. Nye tuftelokaliteter fra feltarbeidet i 2017 er Taborshamn, Jakobbukta, Sandvika S, Sandvika V og Sandvika N. Detaljert oppmåling og registrering av strukturdetaljer ble foretatt for de tidligere ikke kjente lokalitetene Jakobbukta og de små Sandvika-lokalitetene, og for de tidligere registrerte lokalitetene på Sandvika, Sarset, Nordre Laukslett og Søndre Laukslett. I tillegg ble det gjort mer begrenset dokumentasjon av tufter i Taborshamn, på Hollenderbakken, Lauksletta id.27271, Lauksletta id.17214, og en heller i Nordsandfjorden. Flere tidligere registrerte lokaliteter ble fulgt opp med varierende utfall.
The phylogeny and systematics of Xiphosura
Authors: Lamsdell James C.
Published: December 2020

Xiphosurans are aquatic chelicerates with a fossil record extending into the Early Ordovician and known from a total of 88 described species, four of which are extant. Known for their apparent morphological conservatism, for which they have gained notoriety as supposed ‘living fossils’, recent analyses have demonstrated xiphosurans to have an ecologically diverse evolutionary history, with several groups moving into non-marine environments and developing morphologies markedly different from those of the modern species. The combination of their long evolutionary and complex ecological history along with their paradoxical patterns of morphological stasis in some clades and experimentation among others has resulted in Xiphosura being of particular interest for macroevolutionary study. Phylogenetic analyses have shown the current taxonomic framework for Xiphosura—set out in theTreatise of Invertebrate Paleontologyin 1955—to be outdated and in need of revision, with several common genera such asPaleolimulusDunbar, 1923 andLimulitellaStørmer, 1952 acting as wastebasket taxa. Here, an expanded xiphosuran phylogeny is presented, comprising 58 xiphosuran species as part of a 158 taxon chelicerate matrix coded for 259 characters. Analysing the matrix under both Bayesian inference and parsimony optimisation criteria retrieves a concordant tree topology that forms the basis of a genus-level systematic revision of xiphosuran taxonomy. The generaEuproopsMeek, 1867,BelinurusKönig, 1820,Paleolimulus,Limulitella, andLimulusare demonstrated to be non-monophyletic and the previously synonymized generaKoenigiellaRaymond, 1944 andPrestwichianellaCockerell, 1905 are shown to be valid. In addition, nine new genera (Andersoniellagen. nov., Macrobelinurusgen. nov.,andParabelinurusgen. nov. in Belinurina;Norilimulusgen. nov. in Paleolimulidae;Batracholimulusgen. nov. andBoeotiaspisgen. nov. in Austrolimulidae; andAllolimulusgen. nov.,Keuperlimulusgen. nov., andVolanalimulusgen. nov. in Limulidae) are erected to accommodate xiphosuran species not encompassed by existing genera. One new species,Volanalimulus madagascarensisgen. et sp. nov., is also described. Three putative xiphosuran genera—ElleriaRaymond, 1944,ArcheolimulusChlupáč, 1963, andDrabovaspisChlupáč, 1963—are determined to be non-xiphosuran arthropods and as such are removed from Xiphosura. The priority ofBelinurusKönig, 1820 overBellinurusPictet, 1846 is also confirmed. This work is critical for facilitating the study of the xiphosuran fossil record and is the first step in resolving longstanding questions regarding the geographic distribution of the modern horseshoe crab species and whether they truly represent ‘living fossils’. Understanding the long evolutionary history of Xiphosura is vital for interpreting how the modern species may respond to environmental change and in guiding conservation efforts.
Use of a combined drainage/fauna underpass by the Spotted-tailed Quoll, Dasyurus maculatus
Authors: Michniewicz Radika J. , Danvers Jodie
Published: December 2020

Combined drainage/fauna culverts and dedicated fauna underpasses are routinely used to mitigate the potential barrier effects of roads and reduce road-related mortality. To determine the success of underpasses constructed as part the Pacific Highway Upgrade in eastern NSW automated cameras were used to monitor a number of underpasses. The first monitoring period (autumn 2018) recorded photographic evidence of a Spotted-tailed Quoll Dasyurus maculatus using a combined underpass on day 61 of a 63-night monitoring period. To our knowledge, this is the first photographic evidence of use of an underpass by a D. maculatus in NSW and supports the installation of box culverts as a mitigation measure to facilitate movement for this species.
Protective Behaviour against COVID 19 and Telemedicine Use among the Pregnant Women during Pandemic Period: A Cross Sectional Study
Authors: Sukumaran S. Anil Bindu , Manju L. , Vijith Divija , Jose Regi , Narendran Meghana , John Susanna , Benny P V.
Published: December 2020

Even though pregnant women are more prone to have severe COVID 19, few studies have been conducted on their protective behaviours against this disease in our country during the COVID-19 pandemic. Fear of getting COVID infection may prevent antenatal women from visiting hospitals for routine antenatal checkups and utilization of telemedicine may be an alternative to get connected with their health care providers during the pandemic.

Aims: To evaluate the protective behaviour adopted by pregnant women during the COVID pandemic and their utilization of teleconsultation for antenatal care.

Methods: A cross- sectional study was conducted among pregnant women attending three selected hospitals in Trivandrum District in Kerala during May to August 2020. The data was collected from a random sample of 252 pregnant women registered in these hospitals using a self-administered semi-structured questionnaire.

Results: Around 89% of pregnant women had adopted good practice to protect themselves against the COVID 19. About 94% wore a mask whenever they went outside. About 72% completely avoided crowded place. About 72% had rated themselves to have good or very good knowledge regarding protective measures of COVID 19. Among the pregnant women, 61(24.2%) missed their scheduled antenatal visit once, 32(12.7%) missed twice and 8(3.2% missed three or more times during the pandemic period. Half of the pregnant women utilized telemedicine facility during the pandemic to stay connected with their doctors. But 31% were not aware of telemedicine facility in hospitals, while 1.6% does not have an internet access. Higher age group, current employment status and area of residence was found to be associated with poor practice.

Conclusions: Nearly 89% pregnant women adopted good protective measures against COVID19. Measures need to be taken to improve the availability of telemedicine facility in hospitals for antenatal women and to improve awareness about it among public which may help the antenatal women to stay connected with their health care providers during this pandemic.
Application of SSR Markers for Purity Testing of Hybrid Wheat (Triticum aestivum L.)
Authors: Tiwari Akanksha , Mishra D. K.
Published: December 2020

Exploitation of the full potential of any hybrid requires the possessing of genetically high-purity seeds. In order to avoid reduction in yield caused by using low purity seeds, development of a simple, rapid, and accurate method for hybrid purity assessment is of great essence and significance. For the identification of true hybrids, SSR markers provides authentic information that will help to the further progress of any research programme. In this study, total of 40 wheat hybrids and 14 parental lines were taken for the hybrid purity analysis with 20 SSR markers. These markers were used to find out the codominant loci in the hybrid and single dominant loci in parents. Out of 20 SSR markers, only 8 markers viz., Xwmc617, Xwmc457, Xwmc48, Xgwm153, Xbarc61, Xgwm273, Xbarc268 and Xgwm274 showed the polymorphic dominant loci in the parents and co-dominant loci midway between these parents. Therefore these SSR markers were used to confirm the forty hybrids. The range of allele size produced by SSR marker on the parental lines were 120 bp to 300 bp. The highest allel size (300 bp) was produced by marker Xbarc 268 whereas, the minimum allel size (120 bp) was produced by marker Xgwm 273. All the fourty hybrids showed similar banding pattern as parental lines, this proved the purity of hybrids in all these cross combinations. The confirmation of hybrid purity indicated that a single polymorphic marker was sufficient for detection of contaminations of these hybrids from their parents.
COVID-19 and Hyperinflammation: Role of Steroid in Mild Disease
Authors: Meher Jhasaketan , Nayak Manish Kumar
Published: December 2020

Current COVID-19 has become a major public health problem because of its pandemicity, with wide spectrum of disease manifestation. SARS-COV-2 can have a varied clinical manifestation ranging from asymptomatic, mild symptomatic to severe disease like acute respiratory distress syndrome, cytokine storm, and multiorgan dysfunction. It has been described in literature that cytokine storm/hyperinflammation arises as result of dysregulated immune response leading to excessive release of various cytokines which causes multiorgan dysfunction. But there is paucity of literature describing the immune response and hyperinflammation in mild disease which may cause unremitting symptoms. Here we describe a case series of three patients with mild disease, who had persistent symptoms beyond 1 week and managed with low dose steroid after confirming it to be hyperinflammation. So it is imperative to detect the hyperinflammatory phase to halt the disease progression. Also we have discussed the role of immune system and role of steroid in COVID-19.
Why do pathway methods work better than they should?
Authors: Szalai Bence , Saez‐Rodriguez Julio
Published: December 2020

Pathway analysis methods are frequently applied to cancer gene expression data to identify dysregulated pathways. These methods often infer pathway activity based on the expression of genes belonging to a given pathway, even though the proteins ultimately determine the activity of a given pathway. Furthermore, the association between gene expression levels and protein activities is not well‐characterized. Here, we posit that pathway‐based methods are effective not because of the correlation between expression and activity of members of a given pathway, but because pathway gene sets overlap with the genes regulated by transcription factors (TFs). Thus, pathway‐based methods do not inform about the activity of the pathway of interest but rather reflect changes in TF activities.
Effect of an integral quality monitor on 4‐, 6‐, 10‐MV, and 6‐MV flattening filter‐free photon beams
Authors: Nguyen Trang Hong Thi , Yokoyama Haruna , Kojima Hironori , Isomura Naoki , Takemura Akihiro , Ueda Shinichi , Noto Kimiya
Published: December 2020

Purpose

To investigate the effect of an integral quality monitor (IQM; iRT Systems GmbH, Koblenz, Germany) on 4, 6, 10, and 6‐MV flattening filter‐free (FFF) photon beams.

Methods

We assessed surface dose, PDD20,10, TPR20,10, PDD curves, inline and crossline profiles, transmission factor, and output factor with and without the IQM. PDD, transmission factor, and output factor were measured for square fields of 3, 5, 10, 15, 20, 25, and 30 cm and profiles were performed for square fields of 3, 5, 10, 20, and 30 cm at 5‐, 10‐, and 30‐cm depth.

Results

The differences in surface dose of all energies for square fields of 3, 5, 10, 15, 20, and 25 cm were within 3.7% whereas for a square field of 30 cm, they were 4.6%, 6.8%, 6.7%, and 8.7% for 4‐MV, 6‐MV, 6‐MV‐FFF, and 10‐MV, respectively. Differences in PDD20,10, TPR20,10, PDD, profiles, and output factors were within ±1%. Local and global gamma values (2%/2 mm) were below 1 for PDD beyond dmax and inline/crossline profiles in the central beam region, respectively. The gamma passing rates (10% threshold) for PDD curves and profiles were above 95% at 2%/2 mm. The transmission factors for 4‐MV, 6‐MV, 6‐MV‐FFF, and 10‐MV for field sizes from 3 × 3 to 30 × 30 cm2 were 0.926–0.933, 0.937–0.941, 0.937–0.939, and 0.949–0.953, respectively.

Conclusions

The influence of the IQM on the beam quality (in particular 4‐MV X‐ray has not verified before) was tested and introduced a slight beam perturbation at the surface and build‐up region and the edge of the crossline/inline profiles. To use IQM in pre‐ and intra‐treatment quality assurance, a tray factor should be put into treatment planning systems for the dose calculation for the 4‐, 6‐, 10‐, and 6‐MV flattening filter‐free photon beams to compensate the beam attenuation of the IQM detector.
Radiobiological effects of the interruption time with Monte Carlo Simulation on multiple fields in photon beams
Authors: Nakano Hisashi , Kawahara Daisuke , Tanabe Satoshi , Utsunomiya Satoru , Takizawa Takeshi , Sakai Madoka , Saito Hirotake , Ohta Atsushi , Kaidu Motoki , Ishikawa Hiroyuki
Published: December 2020

Purpose

The interruption time is the irradiation interruption that occurs at sites and operations such as the gantry, collimator, couch rotation, and patient setup within the field in radiotherapy. However, the radiobiological effect of prolonging the treatment time by the interruption time for tumor cells is little evaluated. We investigated the effect of the interruption time on the radiobiological effectiveness with photon beams based on a modified microdosimetric kinetic (mMK) model.

Methods

The dose‐mean lineal energy yD (keV/µm) of 6‐MV photon beams was calculated by the particle and heavy ion transport system (PHITS). We set the absorbed dose to 2 or 8 Gy, and the interruption time (τ) was set to 1, 3, 5, 10, 30, and 60 min. The biological parameters such as α0, β0, and DNA repair constant rate (a + c) values were acquired from a human non‐small‐cell lung cancer cell line (NCI‐H460) for the mMK model. We used two‐field and four‐field irradiation with a constant dose rate (3 Gy/min); the photon beams were paused for interruption time τ. We calculated the relative biological effectiveness (RBE) to evaluate the interruption time's effect compared with no interrupted as a reference.

Results

The yD of 6‐MV photon beams was 2.32 (keV/µm), and there was little effect by changing the water depth (standard deviation was 0.01). The RBE with four‐field irradiation for 8 Gy was decreased to 0.997, 0.975, 0.900, and 0.836 τ = 1, 10, 30, 60 min, respectively. In addition, the RBE was affected by the repair constant rate (a + c) value, the greater the decrease in RBE with the longer the interruption time when the (a + c) value was large.

Conclusion

The ~10‐min interruption of 6‐MV photon beams did not significantly impact the radiobiological effectiveness, since the RBE decrease was <3%. Nevertheless, the RBE's effect on tumor cells was decreased about 30% by increasing the 60 min interruption time at 8 Gy with four‐field irradiation. It is thus necessary to make the interruption time as short as possible.
An Automated knowledge‐based planning routine for stereotactic body radiotherapy of peripheral lung tumors via DCA‐based volumetric modulated arc therapy
Authors: Visak Justin , Ge Gary Y. , McGarry Ronald C. , Randall Marcus , Pokhrel Damodar
Published: December 2020

Purpose

To develop a knowledge‐based planning (KBP) routine for stereotactic body radiotherapy (SBRT) of peripherally located early‐stage non‐small‐cell lung cancer (NSCLC) tumors via dynamic conformal arc (DCA)‐based volumetric modulated arc therapy (VMAT) using the commercially available RapidPlanTM software. This proposed technique potentially improves plan quality, reduces complexity, and minimizes interplay effect and small‐field dosimetry errors associated with treatment delivery.

Methods

KBP model was developed and validated using 70 clinically treated high quality non‐coplanar VMAT lung SBRT plans for training and 20 independent plans for validation. All patients were treated with 54 Gy in three treatments. Additionally, a novel k‐DCA planning routine was deployed to create plans incorporating historical three‐dimensional‐conformal SBRT planning practices via DCA‐based approach prior to VMAT optimization in an automated planning engine. Conventional KBPs and k‐DCA plans were compared with clinically treated plans per RTOG‐0618 requirements for target conformity, tumor dose heterogeneity, intermediate dose fall‐off and organs‐at‐risk (OAR) sparing. Treatment planning time, treatment delivery efficiency, and accuracy were recorded.

Results

KBPs and k‐DCA plans were similar or better than clinical plans. Average planning target volume for validation was 22.4 ± 14.1 cc (7.1–62.3 cc). KBPs and k‐DCA plans provided similar conformity to clinical plans with average absolute differences of 0.01 and 0.01, respectively. Maximal doses to OAR were lowered in both KBPs and k‐DCA plans. KBPs increased monitor units (MU) on average 1316 (P < 0.001) while k‐DCA reduced total MU on average by 1114 (P < 0.001). This routine can create k‐DCA plan in less than 30 min. Independent Monte Carlo calculation demonstrated that k‐DCA plans showed better agreement with planned dose distribution.

Conclusion

A k‐DCA planning routine was developed in concurrence with a knowledge‐based approach for the treatment of peripherally located lung tumors. This method minimizes plan complexity associated with model‐based KBP techniques and improve plan quality and treatment planning efficiency.
Kirigami‐Based Compliant Mechanism for Multiaxis Optical Tracking and Energy‐Harvesting Applications
Authors: Evke Erin E. , Huang Chao , Wu Yu-Wei , Arwashan Michael , Lee Byungjun , Forrest Stephen R. , Shtein Max
Published: December 2020

Kirigami‐based structures and materials have recently emerged with a variety of geometric transformation capabilities in applications such as flexible electronics, soft robotics, nanophotonics, energy harvesting, and others. Herein, a 2D pattern of cuts (kirigami) that transform into a 3D, one‐piece compliant mechanism that allows for optical tracking over a solid angle sweep of over 110° in two axes is presented. This structure is scaled to an arbitrarily large array, yet the displacement required to achieve the angular sweep remain compact and independent of the number of elements and areal extent of the array. One of the applications of this mechanism is in solar concentration and dual‐axis tracking. Using practical dimensions, 80‐fold or greater concentration is realized. Mutual shadowing of nearby concentrators is assessed along with thermal effects of optical concentration that limit photovoltaic (PV) cell efficiency. The significant reduction in semiconductor usage along with the multiaxis tracking ability reduces the overall cost of solar PV panels. This is projected to make them competitive with stationary silicon panels capable of satisfying the household daily average energy requirement.
Controlling Phase‐Coherent Electron Transport in III‐Nitrides: Toward Room Temperature Negative Differential Resistance in AlGaN/GaN Double Barrier Structures
Authors: Wang Ding , Chen Zhaoying , Su Juan , Wang Tao , Zhang Baoqing , Rong Xin , Wang Ping , Tan Wei , Guo Shiping , Zhang Jian , Shen Bo , Wang Xinqiang
Published: December 2020

Resonant tunneling of electrons is important for the manufacture of high‐speed electronic oscillators and the electron injection control in quantum cascade lasers. In this work, room temperature negative differential resistance (NDR) in AlGaN/GaN double barrier structure with AlN/GaN digital alloy (DA) barriers is demonstrated. The peak‐to‐valley current ratio (PVCR) ranges from 1.1 to 1.24 at room temperature and becomes 1.5 to 2.96 at low temperatures, whereas no NDR is observed in double barrier structures with conventional ternary AlGaN barriers. The room temperature NDR together with the high PVCR at low temperature is attributed to the suppression of alloy disorder scattering by introducing AlN/GaN DA barriers. This work presents the successful control of phase‐coherent electron transport in III‐nitride heterostructures and is expected to benefit the future design of nitride‐based resonant tunneling structures and high‐speed electronic devices.
Heterogeneous Structural Color Microfibers for Cardiomyocytes Tug‐of‐War
Authors: Chen Zhuoyue , Yu Yunru , Guo Jiahui , Sun Lingyu , Zhao Yuanjin
Published: December 2020

Cellular mechanics are of great significance in biological functions and have stimulated the development of various techniques to detect and analyze it. Here, a novel heterogeneous structural color microfiber designed for dynamic cardiac mechanics sensing is presented. The microfiber is fabricated by the programmed injection microfluidic spinning method, which achieves the alternative injection of different solutions and generates axial heterogeneous components. This microfiber contains non‐close‐packed colloidal arrays for quantitative optical sensing and bioactive methacrylated gelatin (GelMA) for cardiac culture. When the cultivated cardiomyocytes recover autonomous beating cycles, the structural color section would be stretch and exhibits synchronous stretch cycles with dynamic color variation and wavelength shifts, which transforms microcosmic cell‐generated force into macroscopic optical signals. In addition, the single‐cell‐level mechanics detecting platform can be achieved by tuning the size and diameter of the heterogeneous structural color microfibers. These features contribute to the heterogeneous structural color microfiber to be an ideal platform for biomedical fields.
Designed Iron Single Atom Catalysts for Highly Efficient Oxygen Reduction Reaction in Alkaline and Acid Media
Authors: Zhao Shiyong , Zhang Lianji , Johannessen Bernt , Saunders Martin , Liu Chang , Yang Shi‐Ze , Jiang San Ping
Published: December 2020

Single atom catalysts (SACs) have attracted much attentions due to their advantages of high catalysis efficiency and excellent selectivity. However, for industrial applications, synthesis of SACs in large and practical quantities is very important. The challenge is to develop synthesis methods with controllability and scalability. Herein, a well‐characterized and scalable method is demonstrated to synthesize atomically dispersed iron atoms coordinated with nitrogen on graphene, SAFe @ NG, with high atomic loading (≈4.6 wt%) through a one‐pot pyrolysis process. The method is scalable for the fabrication of Fe SACs with high quantities. The Fe–N–G catalyst exhibits high intrinsic oxygen reduction reaction (ORR) performance, reaching half potential of 0.876 and 0.702 V in alkaline and acidic solutions, respectively, with excellent microstructure stability. Furthermore, the density functional theory (DFT) simulation confirms that the Fe atoms in coordination with four nitrogen atoms, FeN4, in graphene is the active center for the 4‐electron ORR process. This work demonstrates an efficient design pathway for single atom catalysts as highly active and stable electrocatalysts for high‐performance ORR applications.
Unimolecular Anion‐Binding Catalysts for Selective Ring‐Opening Polymerization of O‐carboxyanhydrides
Authors: Li Maosheng , Zhang Shuai , Zhang Xiaoyong , Wang Yanchao , Chen Jinlong , Tao Youhua , Wang Xianhong
Published: December 2020

Anion‐binding can regulate anion transport in chloride channels through dynamic non‐covalent interactions, which gives insights into the designing of new organocatalytic transformations but is surprisingly unexplored in polymerization catalysis. Herein, we describe an effective unimolecular anion‐binding organocatalysis where 4‐(dimethylamino)pyridine is anchored to a thiourea for ring‐opening polymerization of O‐carboxyanhydrides (OCAs) to furnish highly isotactic poly(phenyllactic acid) (Ph‐PLA) with molecular weight (MW) up to 150.0 kDa, which well addresses the formidable challenge of synthesizing high MW stereoregular polyesters. Calculations and experimental studies indicate a dynamic cooperative anion‐binding mechanism, where the dynamic anion‐binding interaction of thiourea moiety to propagating species facilitates efficient chain propagation and the synergetic decarboxylation retains high selectivity for OCA ring‐opening over side reactions (such as cyclization, epimerization, and transesterification).
Ruthenaelektro‐katalysierte Domino‐Drei‐Komponenten‐Alkinanellierung für nützliche Isochinolin‐Synthesen
Authors: Tan Xuefeng , Hou Xiaoyan , Rogge Torben , Ackermann Lutz
Published: December 2020

Der elektrochemische Drei‐Komponenten‐Synthese von Isochinolinen wurde mittels Ruthenaelektro‐katalysierter C‐H/N‐H‐Funktionalisierung erreicht. Die Robustheit der Elektrokatalyse wurde durch eine große Anwendungsbreite, eine effiziente Elektrooxidation und eine anwenderfreundliche Durchführung verdeutlicht. Außerdem deuten die Isolierung von Schlüsselintermediaten und detaillierte mechanistische Untersuchungen, unter anderen durch cyclovoltammetrische Analysen eines bisher unbekannten siebengliedrigen Ruthenacyclus, auf einen ungewöhnlichen Ruthenium(II/III/I)‐Reaktionsmechanismus hin.
Dual Ratiometric SERS and Photoacoustic Core–Satellite Nanoprobe for Quantitatively Visualizing Hydrogen Peroxide in Inflammation and Cancer
Authors: Li Qingqing , Ge Xiaoguang , Ye Jiamin , Li Zhi , Su Lichao , Wu Ying , Yang Huanghao , Song Jibin
Published: December 2020

Excessive production of oxidative species alters the normal redox balance and leads to diseases, such as chronic inflammation and cancer. Oxidative species are short‐lived species, which makes direct, precise, and real‐time measurements difficult. Herein, we report a novel core–satellite gold nanostructure for dual, ratiometric surface‐enhanced Raman scattering (SERS) and photoacoustic (PA) imaging to enable the precise detection of inflammation/cancer‐related H2O2. The combination of H2O2‐activated second near‐infrared (NIR‐II) PA imaging and SERS imaging enables the differentiation between the inflamed region and normal tissue with high accuracy. The mesoporous silica shell of the nanoprobe could be used to deliver drugs to the target area to precisely treat disease. Therefore, this core–satellite nanostructure can not only quantitatively and precisely monitor H2O2 produced in inflammation, tumor, and osteoarthritis in rabbits in real‐time, but can also be used to track the progress of the anti‐inflammatory treatment in real‐time.
Four Mechanistic Mysteries: The Benefits of Writing a Critical Review
Authors: Nugent William A. , RajanBabu T. V.
Published: December 2020

While writing a comprehensive review on the reactions of epoxides with titanium(III) reagents, we encountered a series of mechanistic puzzles. Using clues from the literature, many of which were not available at the time that the mysteries emerged, it was possible to demystify a number of these conundrums. We discuss four examples, which we believe will significantly change the way in which titanium(III) chemistry is practiced. Our experience underscores the importance of comprehensive and critical reviews in chemistry and the truism that the authors are prime beneficiaries of the review process.
The Shaping of the Self: Patterns and Pathways in Bowlby, Kohut, and Bowen
Authors: Homme Gro Anita , Shults F. LeRon
Published: December 2020

This article offers a heuristic framework that links several key aspects of the psychological models of John Bowlby, Heinz Kohut, and Murray Bowen, generating insight into an underlying set of isomorphic patterns in the shaping and reshaping of the self. This theoretical matrix of interlocking perspectives can facilitate our understanding of the formation – and promote the transformation – of selves as they engage within their familial and social worlds. The first section introduces some of these three authors’ key theoretical and therapeutic contributions and provides our rationale for linking some of their ideas and intervention strategies. The second section offers a brief review of earlier attempts at partial integration of these theories and describes the distinctiveness of our proposal. The third section outlines our proposed heuristic framework, which identifies some of the underlying structural similarities in the formation of the self, described in different ways and with varying emphases by these three scholars. Finally, we briefly explore some of the implications of the model for producing clinical insights into distinctive pathways for the transformation of the self.
Side chain functional carbazole‐fluorene electroactive polymers: Optical, electrochemical properties, antimicrobial activity and thin film morphologies
Authors: Meriç Çağla , Kanbur Savas , Baycan Fatma
Published: December 2020

A new electroactive polymer based on fluorene and carbazole moieties with double bond side chain (MP25) was synthesized and then double bond at the side chain was functionalized with COOH and Si(OEt)3 as ITO/glass compatible groups. Electrochemical and optical properties of the polymers were elucidated with cyclic voltammetry (CV), ultraviolet–visible absorption (UV–Vis), and photoluminescence (PL) spectroscopy. It was observed that all polymers absorbed only the UV region and emitted blue light. By using CV, HOMO values were found as approximately 5.45 eV. According to AFM results, when the rough MP25 polymer thin film was modified with ITO/glass compatible groups, more uniform and smoother polymer thin films were obtained. Thermogravimetry analyses (TGA) shown that the MP25‐Si and MP25‐COOH were stable against thermo‐oxidative decomposition. The weight loss of MP‐25‐Si was found to be only %23 at 700°C. Additionally, antimicrobial activity of MP25 polymers was also investigated. According to test results, all polymers were found to have antimicrobial activity against C.albicans.
Differential reinforcement to decrease stereotypy exhibited by an adult with autism spectrum disorder
Authors: Butler Courtney , Kobylarz Ashley , Zaki‐Scarpa Christeen , LaRue Robert H. , Manente Christopher , Kahng SungWoo
Published: December 2020

Motor and vocal stereotypies are behaviors commonly exhibited by individuals with autism spectrum disorder (ASD). Stereotypy may impede and interfere with learning new skills and decrease work performance in employment settings. Previous research has evaluated effective interventions for stereotypy; however, they have typically focused on treating stereotypy exhibited by children in structured settings. We evaluated the practicality of implementing a simple differential reinforcement of other behavior procedure with an adult with ASD in multiple, naturalistic environments. Results showed rapid decreases in motor and vocal stereotypies upon implementation of the intervention and maintenance of low levels of behavior. These data highlighted the successful treatment of stereotypy exhibited by an adult with a long history of exhibiting these behaviors. Treatment effects were replicated across multiple, naturalistic environments.
Indirect regulation of temperature in raceway reactors by optimal management of culture depth
Authors: Rodríguez‐Miranda E. , Guzmán J. L. , Acién F. G. , Berenguel M. , Visioli A.
Published: December 2020

Temperature and irradiance are the two most relevant factors determining the performance of microalgae cultures in open raceway reactors. Moreover, inadequate temperature strongly reduces the biomass productivity in these systems even if enough sunlight is available. Controlling the temperature in large open raceway reactors is considered unaffordable because of the large amount of energy required. This study presents an indirect method for temperature regulation in microalgae raceway reactors by optimizing the culture depth. First, the effect of the culture depth on the raceway temperature is analyzed for different seasons of the year. Afterward, a simulation study is presented where the proposed control approach is compared to the normal operation mode with constant volume in the reactor. This study is also extended to industrial scale. Relevant improvements on the temperature factor and biomass production are presented. The developed knowledge allows the improvement of the performance in open raceway reactors up to 12% without involving additional energy and costs, being a suitable solution for large industrial reactors that until now have no options for controlling the temperature.
Ventricular fibrillation and Takotsubo cardiomyopathy triggered by media panic on COVID‐19: A case report
Authors: Habedank Dirk , Thieme Roland , Bublak Angelika , Heinemann Felix , Spencker Sebastian , Atmowihardjo Iskandar
Published: December 2020

Takotsubo cardiomyopathy has potentially lethal complications and can be caused by a media‐induced diffuse atmosphere of life threatening and panic in preconditioned patients.
In CH3NH3PbI3 Perovskite Film, the Surface Termination Layer Dominates the Moisture Degradation Pathway
Authors: Lu Yue , Si Zhixiang , Liu Hongpeng , Ge Yang , Hu Jingcong , Zhang Zeyu , Mu Xulin , Selvakumar Karuppaiah , Sui Manling
Published: December 2020

Theoretical studies have shown that surface terminations, such as MAI or PbI layers, greatly affect the environmental stability of organic–inorganic perovskite. However, until now, there has been little effort to experimentally detect the existence of MAI or PbI terminations on MAPbI3 grains, let alone disclose their effects on the humidity degradation pathway of perovskite solar cell. Here, we successfully modified and detected the surface terminations of MAI and PbI species on polycrystalline MAPbI3 films. MAI‐terminated perovskite film followed the moisture degradation process from MAPbI3 to hydrate MAPbI3⋅H2O and then into PbI2, with penetration of water molecules being the main driving force leading to the degradation of MAPbI3 layer by layer. In contrast, for the PbI‐terminated perovskite film in a humid atmosphere, a deprotonation degradation pathway was confirmed, in which the film preferentially degraded directly from MAPbI3 into PbI2, here the iodine defects played a key role in promoting the dissociation of water molecules into OH− and further catalyzing the decomposition of perovskite.
Mechanistic Investigation on Chemiluminescent Formaldehyde Probes
Authors: Pi Shuangqi , Li Quansong , Yue Ling , Liu Ya‐Jun
Published: December 2020

A first‐generation pair of chemiluminescent formaldehyde (FA) probes (CFAP540 and CFAP700) was reported recently. CFAP540 and CFAP700, with high selectivity and sensitivity to FA, are, respectively, suitable in cell and in vivo. Experimentalists have confirmed that both probes utilize a general 2‐aza‐Cope FA‐reactive trigger and a chemiluminogenic phenoxydioxetane scaffold. The mechanism and detailed process of CFAP chemiluminescence (CL) remain largely unknown. In the present paper, (time‐dependent) density functional theory calculations are performed on the entire reaction process of CFAP540 with FA to produce CL. The calculations elucidated the CL‐producing process: FA initiates the decomposition of CFAP540 by dehydration condensation, and a phenoxy 1,2‐dioxetane is formed through a series of reactions of aza‐Cope rearrangement, hydrolysis of imine, and β‐elimination of alkoxyl group. Afterwards, the produced phenoxy 1,2‐dioxetane decomposes to produce the m‐oxybenzoate derivative in the first singlet state (S1) via two crossings between potential energy surfaces of the ground state (S0) and S1 state. This m‐oxybenzoate derivative was assigned as the light emitter of the CFAP540 CL. The CL‐producing process and assignment of the light emitter of CFAP700 CL are similar with the corresponding ones of CFAP540. By analyzing the D‐π‐A architecture of the light emitters of CFAP540 and CFAP700, a series of CFAPs is theoretically designed and a scheme to modulate their CL from visible to near‐infrared region is proposed by adjusting the length and structure of the π‐bridge.
Effect of temperature and reaction atmosphere on nitric oxide emission during a char grate‐fired process in local flue gas recirculation
Authors: Yang Biying , Gao Jianmin , Xu Li , Xu Jie , Du Qian , Zhang Fengan , Chen Lei , Zhao Guangbo , Wu Shaohua
Published: December 2020

Local flue gas recirculation (LFGR) is an effective technology for reducing nitrogen oxide (NOx) emissions from coal‐fired industrial boilers. The temperature and reaction atmosphere changes when flue gas is recycled, thereby affecting both the grate‐fired process and NOx emission. In this paper, the boundary of LFGR was simulated by changing the experimental parameters. On a small‐scale one‐dimensional fixed‐bed system, the effects of temperature, O2 flux, and CO, CO2, and recycled NO concentrations on oxidation‐reduction layering and char nitrogen conversion during the char grate‐fired process were studied. The effect of temperature and recycled flue gas components on nitric oxide (NO) emissions during the char grate‐fired process was then analyzed based on the mass proportion of oxygen‐absent and oxygen‐present parts. The results show that, with the introduction of recycled flue gas, increasing the temperature will also increase the reduction layer mass and proportion, and, subsequently, inhibit NO emissions; increasing the O2 flux will reduce the reduction layer proportion and subsequently promote NO emissions; increasing the CO and CO2 concentrations will reduce the NO emitted from the oxidation layer, yet has limited effects on the entire char bed; and recycled NO will significantly reduce the NO emissions. The effect of LFGR‐induced changes in temperature and reaction atmosphere on NO emissions can be ascribed to the negative effect of the increase in O2 flux and the positive effect of the increase in temperature and CO, CO2, and recycled NO concentrations.
Serum lipoprotein(a) and risk of periprocedural myocardial injury in patients undergoing percutaneous coronary intervention
Authors: Huang Zhuoshan , Shui Xing , Ling Yesheng , Zhou Linli , Shi Wenqi , Luo Yanting , Li Suhua , Zhu Jieming , Yu Shujie , Liu Jinlai
Published: December 2020

Recent studies and guidelines have indicated that lipoprotein(a) [Lp(a)]was an independent risk factor of arteriosclerotic cardiovascular disease (ASCVD). This study aimed to determine the relationship between serum Lp(a) levels and the risk of periprocedural myocardial injury following percutaneous coronary intervention (PCI) in coronary heartdisease (CHD) patients. This study enrolled 528 nonacute myocardial infarction (AMI) coronary heart disease (CHD) patients who successfully underwent PCI. Fasting serum lipids including Lp(a) were tested before PCI. High‐sensitivity cardiac troponin I (hs‐cTnI) was tested before PCI and 24 h after PCI. Univariate and multivariate logistic regression analyses were used to determine the relationship between preprocedural Lp(a) levels and postprocedural cTnI elevation from 1 × upper limit of normal (ULN) to 70 × ULN. As a continuous variable, multivariate analyses adjusting for conventional covariates and other serum lipids revealed that increased Lp(a) levels were independently associated with the risk of elevated postprocedural cTnI values above 1 × ULN (odds ratio [OR] per log‐unit higher: 1.31, 95% confidence interval [CI]: 1.02–1.68, P = 0.033], 5 × ULN (OR: 1.25, 95%CI: 1.02–1.53, P = 0.032), 10 × ULN (OR: 1.48, 95%CI: 1.18–1.86, P = 0.001) and 15 × ULN (OR: 1.28, 95%CI: 1.01–1.61, P = 0.038). As a categorical variable, Lp(a) > 300 mg/L was an independent risk factor of postproceduralc TnI≥1 × ULN (OR 2.17, 95%CI 1.12–4.21, P = 0.022), ≥5 × ULN (OR 1.82, 95%CI 1.12–2.97, P = 0.017) and ≥10 × ULN (OR 2.17, 95%CI 1.33–3.54, P = 0.002). Therefore, it could be concluded that elevated preprocedural Lp(a) levels were associated with the risk of PCI‐related myocardial injury in non‐AMI CHD patients.
Physiologically‐Based Pharmacokinetic Modeling in Renal and Hepatic Impairment Populations: A Pharmaceutical Industry Perspective
Authors: Heimbach Tycho , Chen Yuan , Chen Jun , Dixit Vaishali , Parrott Neil , Peters Sheila Annie , Poggesi Italo , Sharma Pradeep , Snoeys Jan , Shebley Mohamad , Tai Guoying , Tse Susanna , Upreti Vijay V. , Wang Ying‐Hong , Tsai Alice , Xia Binfeng , Zheng Ming , Zhu Andy Z.X. , Hall Stephen
Published: December 2020

The predictive performance of physiologically‐based pharmacokinetics (PBPK) models for pharmacokinetics (PK) in renal impairment (RI) and hepatic impairment (HI) populations was evaluated using clinical data from 29 compounds with 106 organ impairment study arms were collected from 19 member companies of the International Consortium for Innovation and Quality in Pharmaceutical Development. Fifty RI and 56 HI study arms with varying degrees of organ insufficiency along with control populations were evaluated. For RI, the area under the curve (AUC) ratios of RI to healthy control were predicted within twofold of the observed ratios for > 90% (N = 47/50 arms). For HI, > 70% (N = 43/56 arms) of the hepatically impaired to healthy control AUC ratios were predicted within twofold. Inaccuracies, typically overestimation of AUC ratios, occurred more in moderate and severe HI. PBPK predictions can help determine the need and timing of organ impairment study. It may be suitable for predicting the impact of RI on PK of drugs predominantly cleared by metabolism with varying contribution of renal clearance. PBPK modeling may be used to support mild impairment study waivers or clinical study design.
Does corporate governance matter in corporate social responsibility disclosure? Evidence from Italy in the “era of sustainability”
Authors: Tibiletti Veronica , Marchini Pier Luigi , Furlotti Katia , Medioli Alice
Published: December 2020

Corporate governance has long been the subject of interest for researchers in business administration. Corporate social responsibility (CSR) practices decided by boards of directors are now a key issue in the decision‐making process of companies. The relationship between the governance structure and CSR policies is crucial to defining the companies' strategic view. In this paper, we identify how the characteristics of corporate governance impact CSR disclosure. Our findings show that a large board of directors reduces the probability of adhering to practices that involve stakeholders more closely in company activity, while companies with more independent directors have a higher level of stakeholder protection almost by definition. Thus, there is a need for additional ways of involving stakeholders in company activity. Our results also reveal that an overlap between the roles of the CEO and the board chairman is an undesirable influence on a CSR report.