bluuebunny/crossref_metadata_2025 huggingface dataset:
Pyridinium‐Substituted Tetraphenylethylenes Functionalized with Alkyl Chains as Autophagy Modulators for Cancer Therapy
Authors: Huang Yanyan , You Xue , Wang Lingna , Zhang Guanxin , Gui Shilang , Jin Yulong , Zhao Rui , Zhang Deqing
Published: March 2020

Tuning autophagy in a controlled manner could facilitate cancer therapy but it remains challenging. Pyridinium‐substituted tetraphenylethylene salts (PTPE1—3), able to target mitochondria and disrupt autophagy after forming complexes with albumin, are reported. Mitochondrion affinity and autophagy‐inducing activity are improved by prolonging the length of alkyl chains in PTPE1–3. PTPE1–3demonstrate proautophagic activity and a mitophagy blockage effect. Failure of autophagosome–lysosome fusion in downstream autophagy flux results in cancer cell death. Moreover, fast formation of complexes of PTPE1–3with albumin in blood can facilitate biomimetic delivery and deep tumor penetration. Efficient tumor accumulation and effective tumor suppression are successfully demonstrated with in vitro and in vivo studies. PTPE1–3salts exhibit dual functionality: they target and image mitochondria because of aggregation‐induced emission effects and they are promising for cancer therapy.
Preparation and evaluation of composites containing polypropylene and cotton gin trash
Authors: Ge Changfeng , Cheng Huai N. , Miri Massoud J. , Hailstone Richard K. , Francis Johnathan B. , Demyttenaere Shao M. , Alharbi Najat A.
Published: March 2020

Composites of polypropylene (PP) and cotton gin trash (GT) were prepared to enhance the utilization of agro‐based materials in industrial products. GT was modified by two methods: toluene washed only, and toluene washed and treated with maleic anhydride‐grafted polypropylene (MAPP). These GT samples were extruded with PP, including MAPP and ethylene/vinyl acetate copolymer in various weight ratios (32 composites total). The PP composites displayed tensile strengths close to that of the neat PP, and exhibited higher values of tensile modulus and lower elongation at break than the neat PP. Based on DSC measurements, the PP composites containing 10 wt% GT exhibited two crystalline regimes, while those containing 20 wt% GT were similar in crystallinity to that of the neat PP. The composites were also characterized using SEM, TGA, water absorption tests, and contact angle measurements. These composites represent a more sustainable alternative to neat, fossil fuel‐based PP.
Methylene‐bearing sulfur‐containing cyanopyrimidine derivatives for treatment of cancer: Part‐II
Authors: Akhtar Wasim , Nainwal Lalit M. , Kaushik Sumit K. , Akhtar Mymoona , Shaquiquzzaman Mohammad , Almalki Faisal , Saifullah Khalid , Marella Akranth , Alam Mohammad M.
Published: March 2020

In continuation of our previous work on anticancer and anti‐inflammatory agents, a series of 22 novel methylene‐bearing sulfur‐containing cyanopyrimidine derivatives was synthesized by Biginelli condensation reaction, which was followed by nucleophilic substitution of the chloro group with secondary or tertiary amines. Structural confirmation of these derivatives was attained through different spectral techniques. Then, anticancer evaluation of these compounds was done at the National Cancer Institute. Compounds 4g, 4j, 4k, and 4v demonstrated appreciable results against different cell lines. Among the synthesized compounds, 4g (NSC: 795475) exhibited a growth inhibition (GI) of 81.34% against the NCI‐H460 lung cancer cell line, 72.64% against the ACHN renal cancer cell line, and 112.17% against the OVCAR‐4 ovarian cancer cell line. Compound 4j (NSC: 795746) was active against U‐251 CNS cancer, OVCAR‐4 ovarian cancer, and 786‐0 and ACHN renal cancer cell lines, with GI of 78.84%, 150.38%, 75.64%, and 86.45%, respectively. The literature supporting the association between cancer and underlying inflammation prompted us to evaluate the four compounds, 4g, 4j, 4k, and 4v, with appreciable anticancer activity for their in vitro anti‐inflammatory activity. Cyclooxygenase (COX)‐2 inhibition studies were also performed to study the molecular target. To validate the target study, molecular docking studies in the ligand‐binding domain of COX‐2 (PDB ID: 1CX2) were also performed. Compounds 4g, 4j, and 4k did not show cytotoxicity on RAW 264.7 cells up to 10 μM concentration; however, compound 4v showed cytotoxic effects at 10 μM concentration.
On‐site surrogates for large‐scale calibration
Authors: Huang Jiangeng , Gramacy Robert B. , Binois Mickaël , Libraschi Mirko
Published: March 2020

Motivated by a computer model calibration problem from the oil and gas industry, involving the design of a honeycomb seal, we develop a new Bayesian methodology to cope with limitations in the canonical apparatus stemming from several factors. We propose a new strategy of on‐site design and surrogate modeling for a computer simulator acting on a high‐dimensional input space that, although relatively speedy, is prone to numerical instabilities, missing data, and nonstationary dynamics. Our aim is to strike a balance between data‐faithful modeling and computational tractability in a calibration framework—tailoring the computer model to a limited field experiment. Situating ouron‐site surrogateswithin the canonical calibration apparatus requires updates to that framework. We describe a novel yet intuitive Bayesian setup that carefully decomposes otherwise prohibitively large matrices by exploiting the sparse blockwise structure. Empirical illustrations demonstrate that this approach performs well on toy data and our motivating honeycomb example.
Modeling and simulations of supernova remnants: A short review focused on recent progress in morphological studies
Authors: Ferrand Gilles
Published: March 2020

Supernova remnants (SNRs) are the outcome of supernovae (SNe, either core collapse or thermonuclear). The remnant results from the interaction between the stellar ejecta and the ambient medium around the progenitor star. Young SNRs are characterized by strong shocks that heat and ionize the gas, generate magneto‐hydrodynamic turbulence, and accelerate particles to relativistic energies. They radiate at all wavelengths, especially in the X‐ray domain, where spectro‐imaging observations can provide a wealth of information. This paper presents recent progress in the modeling of SNRs, particularly by means of numerical simulations, and with a focus on three‐dimensional aspects. In the first part we will consider SNRs as producers of cosmic rays (CRs). If SNRs are accelerators efficient enough to power the Galactic component of CRs, this must have a visible impact on their dynamics and, therefore, on the thermal emission from the plasma, as well as on their non‐thermal emission. In the second part we will consider SNRs as probes of the explosion mechanism. The time has come to connect multidimensional simulations of SNe and simulations of SNRs, opening the possibility to study the explosion mechanism via the dynamics and morphology of SNRs.
Atomic data and uncertainties with PyAtomDB
Authors: Foster Adam R.
Published: March 2020

The Atomic Database project (AtomDB) atomic database provides access to a curated collection of atomic data, along with tools that convert this data into emissivities used in many analysis tools. We present the outline of some of the tools now available for accessing AtomDB using the new Python interface, developed to handle the larger datasets that exist since the release of version 3 in 2016. We also show how these routines have allowed basic handling of uncertainties, which will become an increasing focus of research in the future.
Thickness‐Dependent Impedance of Composite Battery Electrodes Containing Ionic Liquid‐Based Electrolytes
Authors: Cronau Marvin , Kroll Moritz , Szabo Marvin , Sälzer Fabian , Roling Bernhard
Published: March 2020

Lithium‐ion battery models often neglect the salt concentration polarization inside the electrolyte‐filled pores of the composite electrodes. However, this concentration polarization causes a significant impedance, in particular in the case of electrolytes with low Li+ transference numbers. Here, we analyze in detail measured and calculated impedance spectra of composite electrodes containing a solvate ionic liquid‐based electrolyte and an ionic liquid‐based electrolyte, respectively, in comparison to a conventional carbonate‐based electrolyte. For calculating spectra, we use a recently published model by Huang and Zhang. We find that the impedance at 10−4 Hz, which is relevant for battery cycling rates around 1 C to 2 C, increases in the order carbonate‐based electrolyte<ionic liquid‐based electrolyte<solvate ionic liquid‐based electrolytes, but exhibits a remarkably weak thickness dependence, when the electrode thickness exceeds 50–100 μm. This suggests that electrodes considerably thicker than the conventional 80 μm can be used in batteries without significantly deteriorating battery power.
Is preparation a good reason for prenatal genetic testing? Ethical and critical questions
Authors: Michie Marsha
Published: March 2020

As prenatal genetic testing technologies have become both easier and more accessible, women are increasingly choosing prenatal genetic testing for a reason that is largely unexamined in the clinical literature: preparation. This reasoning, offered not only from pregnant women but frequently from testing laboratories and health care providers, reflects long‐held assumptions that prenatal genetic results—properly delivered and followed with information, clinical surveillance, and/or social supports—prepare families for a child with a genetic condition, and even improve health and social outcomes for children and families. But these assumptions remain unexamined, since there are no clear definitions or recommendations for prenatal preparation. Preparation may refer to several overlapping ways in which prenatal information may change parents' approach to the rest of the pregnancy, including: (a) clinical activities, including surveillance, interventions, and delivery planning; (b) social and informational support, such as interacting with patient support groups and gathering information about quality of life; and (c) psychological “coping” or adjustments to the reality of raising a child with a genetic condition. These meanings and activities intersect and influence one another and form a foundation for postnatal family adaptation, but they are rarely parsed out in studies examining the impact of prenatal diagnosis. Based on previous work delineating conceptual models as middle terms between theory and reality, we are building a conceptual model that incorporates an empirical understanding of meanings and actions encompassed by prenatal preparation. Comparing diverse families' expectations with the resources they are offered can identify (mis)matches between priorities and approaches.
The Tissue Clock Network: Driver and Gatekeeper of Circadian Physiology
Authors: Harder Lisbeth , Oster Henrik
Published: March 2020

In mammals, a network of cellular circadian clocks organizes physiology and behavior along the 24‐h day cycle. The traditional hierarchical model of circadian clock organization with a central pacemaker and peripheral slave oscillators has recently been challenged by studies combining tissue‐specific mouse mutants with transcriptome analyses. First, a surprisingly small number of tissue rhythms are lost when only local clocks are ablated and, second, transcriptional circadian rhythms appear to be regulated by a complex mix of local and systemic factors. As reviewed here, these findings suggest a more integrated model of clock network interaction with the central pacemaker as the main source of behavioral and systemic–physiological rhythms and peripheral clocks controlling some local rhythms while at the same time acting as gatekeepers that temporally adjust cellular responses to external stimuli.
Secular evolution of femoral morphology from a clinical perspective
Authors: Schmutz Beat , Schuetz Frederik , Alkadhi Hatem , Rühli Frank , Eppenberger Patrick
Published: March 2020

Introduction

Intramedullary nailing is the surgical method of choice for the treatment of proximal femur or femoral shaft fractures. Implant manufacturers aim to design implants fitting for the broadest possible population segment. As complete morphological data sets of long bones are not widely available, anatomical collections of historical dry bone specimens may represent abundant additional sources of morphological three‐dimensional (3D) data for implant design, provided they are consistent with present populations. This study aims to investigate secular trends and age‐related changes of femoral morphology of the Caucasian population over the past 800 years.

Materials and methods

Computer graphical measurements of 3D‐datasets of right and left femora derived from computed tomography (CT) scans, representative of the present Caucasian population, were compared to computer graphical measurements of 3D‐datasets of right and left femora derived from CT scans of specimens from a historical medieval European bone collection.

Results

Clinically relevant parameters of historical medieval European femora were found mostly consistent with correlative data of the present Caucasian population. Additionally, for some of the evaluated parameters, particularly anteversion, morphological differences significantly correlated to individual age and sex could be identified, whereas other parameters such as caput‐collum‐diaphyseal angle or radius of anterior femoral bowing were not correlated to individual age or sex.

Conclusion

The findings suggest that more recent historical specimen collections may be a convenient and easily accessible source of new 3D morphological data, as well as to complement existing data, to be used by researchers and manufacturers for the development of intramedullary femoral nails.
Cancer patients’ experiences with immune checkpoint modulators: A qualitative study
Authors: Ala‐Leppilampi Kari , Baker Natalie A. , McKillop Chris , Butler Marcus O. , Siu Lillian L. , Spreafico Anna , Abdul Razak Albiruni R. , Joshua Anthony M. , Hogg David , Bedard Philippe L. , Leighl Natasha , Oza Amit M. , Parsons Janet A. , Hansen Aaron R.
Published: March 2020

Background

Minimal qualitative data exist on the experiences of cancer patients treated with immune checkpoint inhibitors or costimulatory antibodies. Understanding the day to day experiences of patients being treated with immune checkpoint modulators, and how these relate to their health‐related quality of life, can inform future research and lead to better clinical decision‐making and care. We report here the first in depth qualitative study to consider patients' diverse and complex experiences with immune checkpoint modulators, with a focus on side effects and how these impact daily life.

Methods

This single‐center qualitative study was based on focus groups and semistructured interviews. Patients who were being treated or who had been treated with immune checkpoint modulators within the last year for a range of cancer diagnoses were recruited. Interpretive description informed our inductive, iterative approach to analysis.

Results

Eight themes were identified, characterizing the complexity of these patients' lived experiences: major categories of side effects experienced and how they impacted patient well‐being; the heterogeneous nature of side effects experienced; living with uncertainty; reframing the meaning and severity of SEs; focus on survival, hope, and being positive; acceptance and adaptation; feeling supported; and faith in medical innovation. Throughout their accounts, participants highlighted the profound impact that immune checkpoint modulators had on their daily lives.

Conclusion

This is the first in‐depth qualitative study into patient accounts of their experiences of treatment with immune checkpoint modulators, related side effects, and how it impacted their daily lives. This research is an integral initial step in developing an instrument that will assess treatment‐related side effects in patients treated with this form of therapy.
Chemical Composition and Insecticidal Activity of Crithmum Maritimum L. Essential Oil against Stored‐Product Beetle Tribolium Castaneum
Authors: Mustapha Mayssa Ben , Zardi‐Bergaoui Afifa , Chaieb Ikbel , Flamini Guido , Ascrizzi Roberta , Jannet Hichem Ben
Published: March 2020

Several plant essential oils have been used against diverse insect pests since, unlike conventional pesticides, they pose almost no risk to humans and the environment. For this reason, the essential oil (EO) isolated from the fresh leaves of Crithmum maritimum L. and its fractions (F1–F5) obtained by chromatographic simplification were investigated for their chemical profile, as well as for their toxicity and repellency effects against Tribolium castaneum (Herbst) adults. The analysis by GC/MS allowed the identification of 92.8–99.1 % of the compositions of the total oil (EO) and of its fractions (F1–F5). The EO and its fractions F3–F5 were characterized by the presence of a high amount of phenylpropanoids (94.4, 94.8, 93.6, and 88.7 %, respectively): in all the samples, dill apiole was the most abundant component (EO: 94.1 %, F3: 94.6 %, F4: 93.4 %, and F5: 83.3 %). In addition, the repellency assay results showed that the volatile fraction F5 and the complete EO exhibited a higher repellency towards T. castaneum (97 % and 93 %, respectively) after 2 h of exposure at the dose of 0.04 μL/cm2. The median lethal dose of the topical application of the EO was 9 %. Furthermore, the fraction F1 possessed interesting contact toxicity against T. castaneum (80 % of mortality) at the concentration of 10 %. These results suggested that the essential oil of C. maritimum leaves might be used as an alternative to synthetic insecticides in order to prevent insects from damaging the stored products.
Review on Synthesis, Characterization, and Electrochemical Properties of Fluorinated Nickel‐Cobalt‐Manganese Cathode Active Materials for Lithium‐Ion Batteries
Authors: Breddemann Ulf , Krossing Ingo
Published: March 2020

In this Review, we report and compare non‐fluorinated with fluorinated cathode active materials (CAMs) based on a nickel‐cobalt‐manganese (NCM) composition such as HE‐NCM, NCM, Ni‐rich, Co‐rich, and Mn‐rich CAMs. We evaluate the CAMs according to their fluoride concentration, the F sources used in the synthesis method, characterization techniques, and battery performance [(initial) capacity or coulombic efficiency at C‐rate before/after cycles and the temperature]. In detail, we address 33 publications with “single” fluorinated NCM CAMs, including F sources such as LiF, [NH4]F, [NH4]FHF, NaF, NiF2, and F2. Furthermore, we give a short overview of 52 articles for “multiple” (anion and cation) treated NCM CAMs. For all reported articles (single and multiple treated NCM CAMs), we give the CAMs, conductive additives, and binder materials, as well their electrolyte compositions.
NaTi2(PO4)3/N‐Doped Hard Carbon Nanocomposites with Sandwich Structure for High‐Performance Na‐Ion Full Batteries
Authors: Sun Rong , Zhang Xudong , San Hui Kwan , Zhang Keliang , Xu Guogang , Li Changgang , Ma Jingyun , He Wen
Published: March 2020

The well‐matched technology of cathode and anode in Na‐ion full batteries is highly challenging yet critically important in practical applications. Here, the high‐performance Na‐ion full batteries are developed by using NaTi2(PO4)3/N‐doped mesoporous hard carbon hybrid anode and porous Na3V2(PO4)3 cathode. The different anodes are designed for well‐matched Na‐ion full batteries. The unique sandwich and mesoporous structural features endow the hybrid anode with a high reversible capacity (240 mAh g−1 at 1 C), high rate performance (109.7 mAh g−1 at 100 C), ultrahigh energy/power densities (76.56 Wh kg−1/5104 W kg−1) and a long cycle‐life (capacity retention of 92.1 % after 1000 cycles at 100 C) in a half cell. In a full battery this hybrid anode can also deliver a higher capacitive contribution (79.5–87.7 %) and high energy/power densities (104 Wh kg−1/5256 W kg−1). This design provides a promising pathway for developing high performance and low‐cost Na‐ion full batteries.
Of Twists and Curves: Electronics, Photophysics, and Upcoming Applications of Non‐Planar Conjugated Organic Molecules
Authors: Kumar Rajesh , Aggarwal Himanshu , Srivastava Aasheesh
Published: March 2020

Non‐planar conjugated organic molecules (NPCOMs) contain π‐conjugation across their length and also exhibit asymmetry in their conformation. In other words, certain molecular fragments in NPCOMs are either twisted or curved out of planarity. This conformational asymmetry in NPCOMs leads to non‐uniform charge‐distribution across the molecule, with important photophysical and electronic consequences such as altered thermodynamic stability, chemical reactivity, as well as materials properties. Majorly, NPCOMs can be classified as having either Fused or Rotatable architectures. NPCOMs have been the focus of significant scientific attention in the recent past due to their exciting photophysical behavior that includes intramolecular charge‐transfer (ICT), thermally activated delayed fluorescence (TADF) and long‐lived charge‐separated states. In addition, they also have many useful materials characteristics such as biradical character, semi‐conductivity, dynamic conformations, and mechanochromism. As a result, rational design of NPCOMs and mapping their structure‐property correlations has become imperative. Researchers have executed conformational changes in NPCOMs through a variety of external stimuli such as pH, temperature, anions‐cations, solvent, electric potential, and mechanical force in order to tailor their photophysical, optoelectronic and magnetic properties. Converging to these points, this review highlights the lucrative electronic features, photophysical traits and upcoming applications of NPCOMs by a selective survey of the recent scientific literature.
Amphiphilic Fluorescence Resonance Energy‐Transfer Dyes: Synthesis, Fluorescence, and Aggregation Behavior in Water
Authors: Dou Shilei , Wang Ying , Zhang Xin
Published: March 2020

Amphiphilic pyrene/perylene bis‐chromophore dyes were synthesized from unsymmetrically substituted perylene bisimide dyes, which were obtained through three synthetic methods. The optical and aggregation behaviors of these functional dyes were studied by means of UV/Vis absorption and fluorescence spectroscopy, dynamic light scattering, and TEM. These dyes are highly fluorescent and cover the whole visible‐light region. A donor/acceptor dye displays intramolecular fluorescence resonance energy transfer (FRET), with a high efficiency of up to 96.4 % from pyrene to perylene bisimide chromophores, which leads to a high fluorescence color sensitivity to environmental polarity. Under a λ=365 nm UV lamp, the light‐emitting colors of the donor/acceptor dye change from green to yellow with increasing solvent polarity, which demonstrates application potential as a new class of FERT probes. The donor/acceptor dye in water was assembled into hollow vesicles with a narrow size distribution. The bilayer structure of the vesicular wall was directly observed by means of TEM. These vesicular aggregates in water are fluorescent at λ=650–850 nm within the near‐infrared region.
Modular Construction of Porous Hydrogen‐Bonded Molecular Materials from Melams
Authors: Khadivjam Tinasadat , Che‐Quang Huy , Maris Thierry , Ajoyan Zvart , Howarth Ashlee J. , Wuest James D.
Published: March 2020

Ordered materials with predictable structures and properties can be made by a modular approach, using molecules designed to interact with neighbors and hold them in predetermined positions. Incorporating 4,6‐diamino‐1,3,5‐triazin‐2‐yl (DAT) groups in modules is an effective way to direct assembly because each DAT group can form multiple N−H⋅⋅⋅N hydrogen bonds according to established patterns. We have found that modules with high densities of N(DAT)2 groups can be made by base‐induced double triazinylations of readily available amines. The resulting modules can form structures held together by remarkably large numbers of hydrogen bonds per molecule. Even simple modules with only 1–3 N(DAT)2 groups and fewer than 70 non‐hydrogen atoms can crystallize to form highly open networks in which each molecule engages in over 20 N−H⋅⋅⋅N hydrogen bonds, and more than 70 % of the volume is available for accommodating guests. In favorable cases, guests can be removed to create rigorously porous crystalline solids analogous to zeolites and metal–organic frameworks.
Pd Nanoparticles Supported on Triangle‐Shaped La2O2CO3 Nanosheets: A New Highly Efficient and Durable Catalyst for Selective Hydrogenation of Cinnamaldehyde to Hydrocinnamaldehyde
Authors: Wang Fei , Bi Yanshuai , Hu Kai , Wei Xuejiao
Published: March 2020

A catalyst in which Pd nanoparticles are supported on triangle‐shaped La2O2CO3 nanosheets exposing predominantly the (001) planes (Pd/La2O2CO3‐TNS; where TNS denotes triangular nanosheets) was prepared by a facile solvothermal method. The Pd/La2O2CO3‐TNS catalysts exhibited excellent catalytic activity and recycling stability for hydrogenation of cinnamaldehyde to hydrocinnamaldehyde with turnover frequency of up to 41 238 h−1. This enhanced activity of Pd/La2O2CO3‐TNS results from strong metal–support interactions. Structure analysis and characterization demonstrated that surface‐oxygen‐enriched La2O2CO3‐TNS supports exposing (001) planes are beneficial to charge transfer between the Pd nanoparticles and triangle‐shaped La2O2CO3 nanosheets and increase the electron density of Pd. Moreover, the modulated electronic states of the Pd/La2O2CO3‐TNS catalysts can enhance the adsorption and activation of hydrogen to enhance the hydrogenation activity.
Empowering organic‐based negative electrode material based on conjugated lithium carboxylate through molecular design
Authors: Fédèle Lionel , Ouari Olivier , Sauvage Frédéric , Thiam Amadou , Becuwe Matthieu
Published: March 2020

In this article, we describe the design and gram‐scale synthesis of a new anthracene‐based negative electrode material for Li‐ion batteries. Based on rational design, featuring a strong electronic delocalization and a long conjugation length, this material has power performance to date unmatched for a conjugated lithium carboxylate, displaying a gravimetric capacity of 150 mAh g−1 at a cycling rate of 20 Li+/h (10 C) without any electrode engineering. Additionally, to the design, partial solubility of the fully reduced phase may also explain the electrochemical performances obtained at a low and high rate.
Rigid Amine‐Induced Pseudo‐3 D Lead‐Free Bismuth Halide Perovskite with an Improved Band Edge for Visible‐Light Absorption
Authors: Wang Yanyan , Wen Rui , Liu Yuanyuan , Bi Le‐Yu , Yang Mingming , Sun Huaming , Zheng Yan‐Zhen , Zhang Guofang , Gao Ziwei
Published: March 2020

Bismuth organometal halide perovskites have recently been investigated as potential substitutes for lead perovskite solar‐cell absorbers because of their lower toxicity. However, the narrowing of the band gap remains a crucial challenge for their practical application. All known Bi‐based perovskites have large band gaps, thereby affording weak visible‐light absorption. This study concerns a novel, lead‐free, pseudo‐3 D perovskite optoelectronic material, (MV)BiI5 (MV2+=methyl viologen). The pseudo‐3 D metal‐halogen perovskite‐like structure is constructed by connecting [BiI5] 2+ units via I⋅⋅⋅I contacts. MV, as a rigid organic amine, is located at the center of each parallelepiped to balance the charge and stabilize the structure. (MV)BiI5 has a narrow band gap of 1.48 eV and a better photoresponse than (MV)BiCl5 with a 1 D structure. (MV)BiI5 is the first Bi‐based perovskite compound with a band gap energy comparable with (CH3NH3)PbI3, which is encouraging for optoelectronic applications. This research will open a potential pathway for the design of pseudo‐3 D Bi‐based perovskites with performances comparable with APbX3 absorbers.
An efficient hardware implementation of the elliptic curve cryptographic processor over prime field,
Authors: Kudithi Thirumalesu , R Sakthivel
Published: March 2020

Elliptic curve cryptography (ECC) schemes are widely adopted for the digital signature applications due to their key sizes, hardware resources, and higher security per bit than Rivest‐Shamir‐Adleman (RSA). In this work, we proposed a new hardware architecture for elliptic curve scalar multiplication (ECSM) in Jacobian coordinates over prime field,
. This is a combination of point doubling and point addition architecture, implemented using resource sharing concept to achieve high speed and low hardware resources, which is synthesized both in field‐programmable gate array (FPGA) and application‐specific integrated circuit (ASIC). The proposed ECSM takes 1.76 and 2.44 ms on Virtex‐7 FPGA platform over 224‐bit and 256‐bit prime field, respectively. Similarly, ASIC (GF 40 nm complementary metal‐oxide semiconductor [CMOS]) technology implementation provides energy efficient with a latency of 0.46 and 0.6 ms over prime field
and
, respectively. This design provides better area‐delay product and high throughput value in both FPGA and ASIC when compared with other designs.
Use of Ghost Cytometry to Differentiate Cells with Similar Gross Morphologic Characteristics
Authors: Adachi Hiroaki , Kawamura Yoko , Nakagawa Keiji , Horisaki Ryoichi , Sato Issei , Yamaguchi Satoko , Fujiu Katsuhito , Waki Kayo , Noji Hiroyuki , Ota Sadao
Published: March 2020

Imaging flow cytometry shows significant potential for increasing our understanding of heterogeneous and complex life systems and is useful for biomedical applications. Ghost cytometry is a recently proposed approach for directly analyzing compressively measured signals of cells, thereby relieving a computational bottleneck for real‐time data analysis in high‐throughput imaging cytometry. In our previous work, we demonstrated that this image‐free approach could distinguish cells from two cell lines prepared with the same fluorescence staining method. However, the demonstration using different cell lines could not exclude the possibility that classification was based on non‐morphological factors such as the speed of cells in flow, which could be encoded in the compressed signals. In this study, we show that GC can classify cells from the same cell line but with different fluorescence distributions in space, supporting the strength of our image‐free approach for accurate morphological cell analysis. © 2020 International Society for Advancement of Cytometry
Contrasting patterns of density‐dependent selection at different life stages can create more than one fast–slow axis of life‐history variation
Authors: Wright Jonathan , Solbu Erik Blystad , Engen Steinar
Published: March 2020

There has been much recent research interest in the existence of a major axis of life‐history variation along a fast–slow continuum within almost all major taxonomic groups. Eco‐evolutionary models of density‐dependent selection provide a general explanation for such observations of interspecific variation in the "pace of life." One issue, however, is that some large‐bodied long‐lived “slow” species (e.g., trees and large fish) often show an explosive “fast” type of reproduction with many small offspring, and species with “fast” adult life stages can have comparatively “slow” offspring life stages (e.g., mayflies). We attempt to explain such life‐history evolution using the same eco‐evolutionary modeling approach but with two life stages, separating adult reproductive strategies from offspring survival strategies. When the population dynamics in the two life stages are closely linked and affect each other, density‐dependent selection occurs in parallel on both reproduction and survival, producing the usual one‐dimensional fast–slow continuum (e.g., houseflies to blue whales). However, strong density dependence at either the adult reproduction or offspring survival life stage creates quasi‐independent population dynamics, allowing fast‐type reproduction alongside slow‐type survival (e.g., trees and large fish), or the perhaps rarer slow‐type reproduction alongside fast‐type survival (e.g., mayflies—short‐lived adults producing few long‐lived offspring). Therefore, most types of species life histories in nature can potentially be explained via the eco‐evolutionary consequences of density‐dependent selection given the possible separation of demographic effects at different life stages.
Ignoring temperature variation leads to underestimation of the temperature sensitivity of plant litter decomposition
Authors: Tomczyk Nathan J. , Rosemond Amy D. , Bumpers Phillip M. , Cummins Carolyn S. , Wenger Seth J. , Benstead Jonathan P.
Published: March 2020

The majority of terrestrial net primary production decomposes, fueling detrital food webs and converting dead plant carbon to atmospheric CO2. There is considerable interest in determining the sensitivity of this process to climate warming. A common approach has been to use spatial gradients in temperature (i.e., latitude or elevation) to estimate temperature sensitivity. However, these studies typically relate decomposition rates to average temperatures at each site along such gradients, ignoring within‐site temperature variation. To evaluate the potential effects of temperature variation on estimates of temperature sensitivity, we simulated plant litter decomposition using both randomly generated and real time series of temperature. This simulation approach illustrated how temperature variation leads to higher decomposition rates at a given mean temperature than is predicted from simulations in which temperature is held constant. Increases in decomposition rate were most evident at cooler sites, where temporal variation in temperature tends to be greater than at warmer sites. This unbalanced effect of temperature variation shifted the slope of the relationships between average temperature and decomposition rate, resulting in lower estimated temperature sensitivities than were used to simulate decomposition. For example, estimates of activation energy (Ea) were as much as 0.15 eV lower than the true Ea when decomposition was simulated with the true Ea set to the canonical respiration value of 0.65 eV. We found that the estimated Ea was lower than the true Ea for surface, soil, and air temperatures, but not for stream temperatures, for which there was only a weak relationship between temperature variation and mean temperature. Our results suggest that commonly used methods may underestimate the temperature dependence of litter decomposition, particularly in terrestrial environments. We encourage publication of temperature data that include variation estimates and suggest an alternative method for calculating temperature sensitivity that accounts for variation in temperature.
Size‐selective fishing leads to trade‐offs between fishery productivity and reproductive capacity
Authors: Pellowe Kara E. , Leslie Heather M.
Published: March 2020

Most fishing is inherently size‐selective, in that fishers preferentially select a subset of the population for harvest based on economic incentives associated with different‐sized fish. Size‐selective fishing influences the targeted population and fishery performance in multiple ways, including changing the reproductive capacity of the target population and altering fishery yield. Understanding how social–ecological variability, including size selectivity, affects target species populations is critical for fisheries management to optimize the benefits of fisheries and the ecological impacts on target populations. In this study, we used yield per recruit, spawning stock biomass per recruit, and length‐based spawning potential ratio models to explore how a range of size selectivity scenarios affect fishery and population productivity for Mexican chocolate clams, Megapitaria squalida, in Loreto, Baja California Sur, Mexico. We found that alternate slot limits result in trade‐offs between fishery yield and reproductive productivity of the target population. A more restrictive slot limit reduced the proportion of the population available to harvest, resulting in higher reproductive capacity of the population, compared to a less restrictive slot limit, conditional on the rate of fishing mortality. In the long run, a more restrictive slot limit will likely lead to a higher number of recruits, larger stock size, and higher long‐term fishery yield relative to a less restrictive scenario. Our findings highlight that how people fish matters, perhaps as much as the quantity of fish harvested; size‐selective fishing that aligns with the life history of target populations and stakeholders’ goals is critical to sustaining fisheries and the valuable food and livelihoods they provide.
Theoretical Study of Using Kinetics Strategy to Enhance the Stability of Tin Perovskite
Authors: Wei Qi , Ke Youqi , Ning Zhijun
Published: March 2020

Tin perovskite solar cell received great attention in recent years owing to its optimum bandgap and heavy metal‐free property. The main concern for the development of tin perovskite is the oxidation from Sn2+ to Sn4+. Herein, we report a surface hetero‐protection strategy to avoid the surface reaction of tin perovskite. Three types of materials, including low‐dimensional tin perovskite, alkali metal halide, and oxides of group IVA element, are exploited as protecting materials on tin perovskite surface with first‐principles calculation. The lattice mismatch, oxidation resistance, and interface stability of these materials are investigated to search for ideal protecting‐layer materials. After screening over 30 candidates, we finally obtain 8 suitable materials (SiO2, GeO2, KCl, NaBr, CsF, LiF, LiI, CsSn2Br5) for hetero‐protection of tin perovskite. To further understand their application potential in a solar cell device, we then calculate the property of charge transfer between the interface of these materials and tin perovskite. Our study provides a guide for the experimental realization of efficient and stable tin perovskite solar cell.
Effect of Side Substituents Incorporated into π‐Bridges of Quinoxaline‐Based Sensitizers for Dye‐Sensitized Solar Cells
Authors: Zhang Wen , Yang Xichuan , An Jincheng , Zhang Li , Cai Bin , Yang Kaiyuan
Published: March 2020

Two new metal‐free donor (D)–acceptor (A)–π–A‐type sensitizers with 2,3‐dihexylquinoxaline (HQ) and 2,3‐diphenylquinoxaline (PQ) moieties as additional acceptors, respectively, coded as ZW002 and ZW003, are synthesized and applied in dye‐sensitized solar cells (DSSCs). Both dyes have broad absorption and large molar absorption coefficients. The sensitizer with the HQ core effectively restrains intermolecular aggregation due to steric hindrance of numerous alkyl chains. A thienyl unit with or without a hexyl branch is used as a π‐bridge. Incorporation of only thienyl groups as a π‐bridge into the sensitizer increases the dye‐loading amount on the TiO2 film due to the smaller molecular size. Using the ZW002 dye with the Co (II/III) redox couple results in DSSCs that exhibit a high photovoltaic conversion efficiency of 8.23% and short‐circuit current density (Jsc) of 12.43 mA cm−2, an open‐circuit voltage (Voc) of 960 mV, and a fill factor (FF) of 0.69. Although ZW003 shows a wider absorption range than that of ZW002, the two additional phenyl groups on the quinoxaline unit contribute to poorer performance (power conversion efficiency [PCE] of 7.43%) due to more serious dye aggregation.
Towards a simplified fire dynamic simulator model to analyse fire spread between multiple informal settlement dwellings based on full‐scale experiments
Authors: Cicione Antonio , Walls Richard S.
Published: March 2020

This paper develops a Fire Dynamics Simulator (FDS) model to analyse fire spread for informal settlements, based upon full‐scale experiments. Informal settlements are frequently ravaged by fires, leaving thousands of people homeless, and with more than 1 billion people residing in informal settlements, there is a significant need to understand and improve the fire safety in such areas. Due to high levels of uncertainty inherent with input parameters regarding informal settlements, this work also investigates the sensitivity of fire behaviour to the input parameters used in numerical simulations. It is shown that spread times between two dwellings can vary from 1 minute after flashover to no spread at all, depending on the simulation input parameters selected. This paper highlights the importance of such input parameters when trying to model fire spread between dwellings. The simulations indicate that a simplified fire spread model for informal settlements is possible, especially for steel clad dwellings, however it showed that significant work is required for timber clad dwellings, that is, because the rate at which additional ventilation forms in the simulation for the timber clad dwellings is significantly slower than reality, which is as a result of the simplifications made. The simplification of using heating, ventilation, and air conditioning (HVAC) systems to model leakages, resulting from the corrugated flutes, showed good enclosure fire dynamics behaviour compared to the experiments, but created new challenges with regards to the spread mechanism, since HVAC systems do not allow electromagnetic waves to penetrate in the same manner as an opening.
Impact of Shutdown Procedures on Recovery Phenomena of Proton Exchange Membrane Fuel Cells
Authors: Pivac I. , Barbir F.
Published: March 2020

The paper presents the obtained measurement and analysis results of the accelerated stress test protocols consisting of voltage cycling, designed to target electrocatalyst degradation, with the intentional recovery periods (so‐called soak time steps) every 2,500 voltage cycles on an already conditioned 50 cm2 (single) fuel cell provided by ElringKlinger. Before and after every intentional stop, a series of diagnostic methods (polarization curves, electrochemical impedance spectroscopy, cyclic voltammetry, linear sweep voltammetry) were performed. During the conducted durability test, different shutdown procedures, as well as different duration of the soak time period were tested with their impact on performance recovery phenomenon. The results suggest that cause of the reversible degradation could be accumulated water within the cell and/or presence of oxygen within the catalyst layer leading to formation of platinum oxides on the catalyst surface. The prolonged soak time step reduces recovery effect, while rapid reduction of the cell temperature with ice proved to be counterproductive for performance recovery. Shutdown procedure without shortly‐connected resistor has shown no effect on recovery. Shutdown procedure without nitrogen purge proved to be the most effective for performance recovery.
Assessment of surgical tumor‐free resection margins in fresh squamous‐cell carcinoma resection specimens of the tongue using a clinical MRI system
Authors: Heidkamp Jan , Weijs Willem L. J. , van Engen‐van Grunsven Adriana C. H. , de Laak‐de Vries Ilse , Maas Marnix C. , Rovers Maroeska M. , Fütterer Jurgen J. , Steens Stefan C. A. , Takes Robert P.
Published: March 2020

Background

Current intraoperative methods of visual inspection and tissue palpation by the surgeon, and frozen section analysis cannot reliably prevent inadequate surgical margins in patients treated for oral squamous‐cell carcinoma (OSCC). This study assessed feasibility of MRI for the assessment of surgical resection margins in fresh OSCC specimens.

Methods

Ten consecutive tongue specimens containing OSCC were scanned using 3 T clinical whole‐body MRI. Two radiologists independently annotated OSCC location and minimal tumor‐free margins. Whole‐mount histology was the reference standard.

Results

The positive predictive values (PPV) and negative predictive values (NPV) for OSCC localization were 96% and 75%, and 87% and 79% for reader 1 and 2, respectively. The PPV and NPV for identification of margins <5 mm were 38% and 91%, and 5% and 87% for reader 1 and 2, respectively.

Conclusions

MRI accurately localized OSCC with high inter‐reader agreement in fresh OSCC specimens, but it seemed not yet feasible to accurately assess the surgical margin status.
Positive lymph node number and extranodal extension for predicting recurrence and survival in patients with salivary gland cancer
Authors: Lee Hojun , Roh Jong‐Lyel , Cho Kyung‐Ja , Choi Seung‐Ho , Nam Soon Yuhl , Kim Sang Yoon
Published: March 2020

Background

This study compared our proposed N classification including the addition of the number of positive lymph node (LN+) and extranodal extension (ENE) with the current and previous American Joint Committee on Cancer (AJCC) N classifications in salivary gland cancer (SGC).

Methods

This study involved 172 SGC patients who underwent surgery. Cox proportional hazard regression analyses were used to identify factors associated with overall survival (OS) and disease‐free survival (DFS).

Results

In multivariate analyses, LN+ number, LN ratio, and ENE were associated with OS and DFS outcomes (all P < .05). Our new N classification proposed three categories: N0 (0 LN+), N1 (1 LN+), and N2 (≥2 LN+ or ENE). The C‐index of our N classification showed improvement in OS prediction (0.768) compared with the AJCC seventh (0.743) and eighth (0.756) edition N classifications.

Conclusions

Our proposed N classification incorporating LN+ number and ENE may improve prediction of post‐treatment survival and recurrence in patients with SGC.
Defects in long‐chain 3‐hydroxy acyl‐CoA dehydrogenase lead to hepatocellular carcinoma: A novel etiology of hepatocellular carcinoma
Authors: Khare Tripti , Khare Sharad , Angdisen Jerry J. , Zhang Qiong , Stuckel Alexei , Mooney Brian P. , Ridenhour Suzanne E. , Gitan Raad S. , Hammoud Ghassan M. , Ibdah Jamal A.
Published: March 2020

The incidence of both nonalcoholic fatty liver disease (NAFLD) and hepatocellular carcinoma (HCC) have been increasing at an alarming rate. Little is known about NAFLD without cirrhosis as a risk for HCC. Here we report, for the first time, generation of a mouse model with a defect in long‐chain 3‐hydoxy acyl‐CoA dehydrogenase (LCHAD). The LCHAD exon 15 deletion was embryonic lethal to the homozygous mice whereas heterozygous mice (HT) develop significant hepatic steatosis starting at young age (3 months old) and HCC at older age (>13 months old) without any evidence of fibrosis or cirrhosis. None of the wild‐type (WT) mice developed steatosis and HCC (n = 39), whereas HT‐LCHAD mice (n = 41) showed steatosis and ~20% (8/41) developed liver masses with histological features of HCC. Proteomic analysis of liver tissues from WT‐mice and HT‐mice with no signs of HCC was conducted. Proteins with significant changes in abundance were identified by mass spectrometry. Abundance of 24 proteins was significantly different (p < 0.01) between WT and HT‐LCHAD mice. The proteins found to vary in abundance are associated with different cellular response processes ranging from intermediary metabolism of carbohydrate, protein and lipid to oxidative stress, signal transduction and the process of tumorigenesis. Protein expression pattern of the HT‐LCHAD mouse liver indicates predisposition to HCC and suggests that impaired hepatic mitochondrial fatty acid oxidation plays an important role in the development and progression of HCC. To assess the implication of these studies in human disease, we demonstrated significant downregulation of HADHA transcripts in HCC patients.