bluuebunny/crossref_metadata_2025 huggingface dataset:
Dynamical Imaging of Surface Photopotentials in Hybrid Lead Iodide Perovskite Films under High Optical Irradiance and the Role of Selective Contacts
Authors: Pietralunga Silvia Maria , Irde Gabriele , Barker Alex J. , Ball James M. , Petrozza Annamaria , Sala Vittorio , Zani Maurizio , Lanzani Guglielmo , Tagliaferri Alberto
Published: June 2020

To leverage the outstanding photonic qualities of lead halide hybrid perovskites under high optical irradiance, their reliability and temporal stability must be assessed. Time‐resolved scanning electron microscopy unveils that when illuminating the free surface of methylammonium lead iodide (MAPbI3) films at 500 Sun in vacuum, a giant photopotential locally develops in tens of seconds, differently evolving depending on charge‐selective substrates. It is reversible on timescales of minutes in the case of hole‐transporting poly(3,4‐ethylenedioxythiophene) polystyrene sulfonate, while more persistent effects occurs, on the timescale of hours, in the case of electron‐transporting TiO2. In addition, films grown on TiO2 show irreversible decay of photoluminescence measured in situ and photoinduced alteration of the work function at some grain boundaries. Different responses at high irradiance are ascribable to contact‐dependent and light‐induced spatial redistribution of charged defects, either ions or localized dipoles. It is also clear that photoexcited charges play different roles in the photochemistry of systems, depending on selective contacts and they are likely to mediate diverse photoassisted redox reaction paths. The TiO2 layer may act as a photocatalyst, leading to MAPbI3 degradation and to irreversible polarization, which will hinder high‐irradiance applications.
Crystallographically Controlled Synthesis of SnSe Nanowires: Potential in Resistive Memory Devices
Authors: Davitt Fionán , Manning Hugh G. , Robinson Fred , Hawken Samantha L. , Biswas Subhajit , Petkov Nikolay , van Druenen Maart , Boland John J. , Reid Gillian , Holmes Justin D.
Published: June 2020

Here the controlled growth of SnSe nanowires by a liquid injection chemical vapor deposition (CVD) method employing a distorted octahedral [SnCl4{nBuSe(CH2)3SenBu}] single‐source diselenoether precursor is reported. CVD with this single‐source precursor allows morphological and compositional control of the SnSex nanostructures formed, including the transformation of SnSe2 nanoflakes into SnSe nanowires and again to SnSe nanoflakes with increasing growth temperature. Significantly, highly crystalline SnSe nanowires with an orthorhombic Pnma 62 crystal structure can be controllably synthesized in two growth directions, either <011> or <100>. The ability to tune the growth direction of SnSe will have important implications for devices constructed using these nanocrystals. The SnSe nanowires with a <011> growth direction display a reversible polarity‐dependent memory switching ability, not previously reported for nanoscale SnSe. A resistive switching on/off ratio of 103 without the use of a current compliance limit is seen, illustrating the potential use of SnSe nanowires for low‐power nonvolatile memory applications.
Liquid Metal Direct Write and 3D Printing: A Review
Authors: Neumann Taylor V. , Dickey Michael D.
Published: June 2020

This review discusses methods, challenges, and opportunities for direct‐write and 3D printing of low melting point, gallium‐based liquid metal alloys at room temperature. Alloys of gallium exhibit high conductivity and high stretchability making them well suited for use in soft circuitry for stretchable electronics and soft robotics. In addition, the liquid nature of the metal enables entirely new ways to pattern metals at room temperature; herein, the focus is placed on additive printing via nozzle‐based methods. Room temperature printing of liquid metals enables rapid fabrication of complex geometries (with dimensions as small as 10 µm) on a wide range of materials, such as polymers. These processes can be used to make metallic conductors for devices with self‐healing capabilities, soft/stretchable electrodes, and sensors.
Stereoselective Synthesis of N‐Propargyl Alkynes and Axial Chiral N‐Allenes with Epimeric Pyrroloimidazolone Auxiliaries
Authors: Sechi Maria Laura , Andrade Mateo , Foy Hayden , Pilkington Melanie , Dudding Travis , Metallinos Costa
Published: June 2020

An N‐propargyl pyrroloimidazolone with syn stereochemistry derived from L‐proline serves as a starting material for the diastereoselective synthesis (>95:5 dr) of propargyl alkynes or allenamides by direct quench of its lithiated intermediate with alkylating agents or aldehydes/ketones, respectively. Use of the epimeric anti pyrroloimidazolone starting material results in reversal of stereochemistry at the propargyl position in the products, without the need to prepare a separate substrate from D‐proline. Lithiation of the syn pyrroloimidazolone and quench with prochiral benzaldehydes without prior transmetalation gives allenamides with crystallographically verified atypical stereochemistry of the benzylic alcohol in >95:5 dr. The epimeric series of benzylic alcohols may also be obtained in >95:5 dr by employing transmetalation with chlorotitanium triisopropoxide prior to aldehyde quench. Density Functional Theory (DFT) computational studies provide a rationale for the change in benzylic alcohol stereochemistry by virtue of differing stereofacial attack in 6,5‐bicyclic (Li) or 6‐membered (Ti) transition states.

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Challenges and Strategies for Constructing Highly Reversible Zinc Anodes in Aqueous Zinc‐Ion Batteries: Recent Progress and Future Perspectives
Authors: Yu Yanxia , Xu Wei , Liu Xiaoqing , Lu Xihong
Published: June 2020

Aqueous zinc‐ion batteries (AZIBs) have attracted increasing attention as a next‐generation energy storage system because of their inherent safety, high capacity, and cost effectiveness. However, the poor cycling durability and low coulombic efficiency of zinc anodes substantially restrict their further development, which should be attributed to the severe dendrite growth, shape change, surface passivation, self‐corrosion, and byproduct formation across the repeated plating/stripping processes. To address these critical issues, great efforts have been dedicated to the rational design of zinc anodes. In this review, different strategies for the performance improvement of zinc anodes are summarized as well as recent research that boosts their development. These methods include the surface modification, novel host‐anode development for zinc, electrolyte formulation, and separator design. Their respective advantages and defects are compared and discussed in detail. The challenges and further prospects in this field are also addressed. This work is designed to shed light on advanced zinc anode constructions for high‐performance AZIBs assembly.
Generalizable, Reproducible, and Neuroscientifically Interpretable Imaging Biomarkers for Alzheimer's Disease
Authors: Jin Dan , Zhou Bo , Han Ying , Ren Jiaji , Han Tong , Liu Bing , Lu Jie , Song Chengyuan , Wang Pan , Wang Dawei , Xu Jian , Yang Zhengyi , Yao Hongxiang , Yu Chunshui , Zhao Kun , Wintermark Max , Zuo Nianming , Zhang Xinqing , Zhou Yuying , Zhang Xi , Jiang Tianzi , Wang Qing , Liu Yong
Published: June 2020

Precision medicine for Alzheimer's disease (AD) necessitates the development of personalized, reproducible, and neuroscientifically interpretable biomarkers, yet despite remarkable advances, few such biomarkers are available. Also, a comprehensive evaluation of the neurobiological basis and generalizability of the end‐to‐end machine learning system should be given the highest priority. For this reason, a deep learning model (3D attention network, 3DAN) that can simultaneously capture candidate imaging biomarkers with an attention mechanism module and advance the diagnosis of AD based on structural magnetic resonance imaging is proposed. The generalizability and reproducibility are evaluated using cross‐validation on in‐house, multicenter (n = 716), and public (n = 1116) databases with an accuracy up to 92%. Significant associations between the classification output and clinical characteristics of AD and mild cognitive impairment (MCI, a middle stage of dementia) groups provide solid neurobiological support for the 3DAN model. The effectiveness of the 3DAN model is further validated by its good performance in predicting the MCI subjects who progress to AD with an accuracy of 72%. Collectively, the findings highlight the potential for structural brain imaging to provide a generalizable, and neuroscientifically interpretable imaging biomarker that can support clinicians in the early diagnosis of AD.
Tailoring the Mechanical and Electrochemical Properties of an Artificial Interphase for High‐Performance Metallic Lithium Anode
Authors: Sun Yipeng , Amirmaleki Maedeh , Zhao Yang , Zhao Changtai , Liang Jianneng , Wang Changhong , Adair Keegan R. , Li Junjie , Cui Teng , Wang Guorui , Li Ruying , Filleter Tobin , Cai Mei , Sham Tsun‐Kong , Sun Xueliang
Published: June 2020

Lithium metal is regarded as the “Holy Grail” of anode materials due to its low electrochemical potential and high theoretical capacity. Unfortunately, its unstable solid electrolyte interphase (SEI) leads to low Coulombic efficiency (CE) and serious safety issues. Herein, a hybrid nanoscale polymeric protective film with tunable composition and improved stiffness is developed by incorporating aluminum crosslinkers into the polymer chains. The Li plating/stripping process is regulated through the protective coating and the dendrite growth is effectively suppressed. Promisingly, the protected Li can deliver stable performance for more than 350 h with a cycling capacity of 2 mAh cm−2 without a notable increase in overpotential. Moreover, a stable charge/discharge cycling in Li–O2 batteries with the protected Li can be maintained for more than 600 h. This work provides guidance on the rational design of electrode interfaces and opens up new opportunities for the fabrication of next‐generation energy storage systems.
Laparoscopic repeat liver resection
Authors: Morise Zenichi
Published: June 2020

Recurrence of liver cancers inside the liver are often treated with liver resection (LR). However, increased risks of complications and conversion during operation were reported in laparoscopic repeat LR (LRLR). The indication is still controversial. One multi‐institutional propensity score matching analysis of LRLR vs open repeat LR for hepatocellular carcinoma, two propensity score matching analyses for colorectal metastases, and two meta‐analyses including hepatocellular carcinoma, intrahepatic cholangiocarcinoma, metastases, and other tumors have been reported to date. LRLR was reported with better to comparable short‐term and similar long‐term outcomes. Furthermore, the shorter operation time and the smaller amount of intraoperative bleeding for LRLR was reported for the patients who had undergone laparoscopic rather than open LR as an earlier procedure. The speculations are presented, that complete dissection of adhesion can be dodged and laparoscopic minor repeated LR can minimize the liver functional deterioration in cirrhotic patients. LRLR, as a powerful local therapy, could contribute to the long‐term outcomes of those with deteriorated liver function. However, the procedure is now in its developing stage worldwide and further accumulation of experiences and evaluation are needed.
Executive function in XXY: Comparison of performance‐based measures and rating scales
Authors: Janusz Jennifer , Harrison Caroline , Boada Cristina , Cordeiro Lisa , Howell Susan , Tartaglia Nicole , Boada Richard
Published: June 2020

Few studies have systematically assessed executive functioning (EF) skills in boys with XXY, and these are limited by small samples and restricted EF assessment. This study used a broader battery of performance‐based measures as well as parent‐rating scales of EF in 77 boys and adolescents with XXY (mean age = 12.5 years), recruited from a clinical trial and an outpatient clinic. Exploratory factor analyses were used to create EF domains from performance‐based measures, and similar domains were measured using the Behavior Rating Inventory of Executive Function and Conners Parent‐Rating Scales. The boys with XXY showed a distinct EF profile, with the greatest deficit in attention and more moderate deficits in working memory, switching, and planning/problem solving. Parent ratings showed similar challenges, as well as impaired inhibition. Independent sample t‐tests showed no difference on performance measures between boys diagnosed or not diagnosed with attention‐deficit/hyperactivity disorder (ADHD), although parents of boys diagnosed with ADHD reported more difficulties. There were no differences on performance‐based tests between those diagnosed pre‐ and postnatally, although parents of postnatally diagnosed boys reported more metacognitive problems. Language deficits, cognition, and socio‐economic status did not account for EF deficits.
A high‐efficiency novel IGCC‐OTM carbon capture power plant design
Authors: Wu Xiao‐Yu , Cai Lili , Zhu Xuefeng , Ghoniem Ahmed F. , Yang Weishen
Published: June 2020

Coal power plants play an important role in supplying affordable and reliable electricity. It is necessary to develop high‐efficiency and low‐cost carbon capture (CC) technologies to mitigate the associated global warming. Using H2S‐tolerant oxygen transport membranes (OTMs) for hydrogen production and CO2 separation can significantly reduce the energy penalty of CC in integrated gasification combined cycle (IGCC) power plants. We carried out system‐level analysis to investigate a novel IGCC‐CC power plant design using OTMs. We studied the impacts of various operating parameters on the overall efficiency and energy penalty. This novel IGCC‐OTM system has an overall efficiency 3.2%‐point lower than the same system without CC, much lower than the IGCC with water‐gas shift reactors and acid gas removal units (IGCC‐WGS) of 6.8%‐point drop. The specific primary energy consumption for CO2 avoided (SPECCA) of this novel technology is 1.08 MJ kgCO2−1, which is 59.4% lower than that of the IGCC‐WGS.
CRISPR Mediated Biosensing Toward Understanding Cellular Biology and Point‐of‐Care Diagnosis
Authors: Dai Yifan , Wu Yanfang , Liu Guozhen , Gooding J. Justin
Published: June 2020

Recent advances in CRISPR based biotechnologies have greatly expanded our capabilities to repurpose CRISPR for the development of biomolecular sensors for diagnosing diseases and understanding cellular pathways. The key attribute that allows CRISPR to be widely utilized is the programmable and highly selective mechanism. In this Minireview, we first illustrate the molecular principle of CRISPR functioning process from sensing to actuating. Next, the CRISPR based biosensing strategies for nucleic acids, proteins and small molecules are summarized. We highlight some of recent advances in applications for in vitro detection of biomolecules and in vivo imaging of cellular networks. Finally, the challenges with, and exciting prospects of, CRISPR based biosensing developments are discussed.
Self‐Healing Supramolecular Materials Constructed by Copolymerization via Molecular Recognition of Cavitand‐Based Coordination Capsules
Authors: Nitta Natsumi , Takatsuka Mei , Kihara Shin‐ichi , Hirao Takehiro , Haino Takeharu
Published: June 2020

The repeating guest units of poly‐(R)‐2 were selectively encapsulated by the self‐assembled capsule poly‐1 possessing eight polymer side chains to form the supramolecular graft polymer (poly‐1)n⋅poly‐(R)‐2. The encapsulation of the guest units was confirmed by 1H NMR spectroscopy and the DOSY technique. The hydrodynamic radius of the graft polymer structure was greatly increased upon the complexation of poly‐1. The supramolecular graft polymer (poly‐1)n⋅poly‐(R)‐2 was stably formed in the 1:1 host–guest ratio, which increased the glass transition temperature by more than 10 °C compared to that of poly‐1. AFM visualized that (poly‐1)n⋅poly‐(R)‐2 formed the networked structure on mica. The (poly‐1)n⋅poly‐(R)‐2 gelled in 1,1,2,2‐tetrachloroethane, which led to fabrication of distinct viscoelastic materials that demonstrated self‐healing behavior in a tensile test.
ATP‐Driven Synthetic Supramolecular Assemblies: From ATP as a Template to Fuel
Authors: Mishra Ananya , Dhiman Shikha , George Subi J.
Published: June 2020

Adenosine triphosphate (ATP) is a molecular unit of energy that drives various processes in the cellular environment. In this Minireview, we discuss the potential of physical and chemical properties of ATP for the development of bio‐inspired, synthetic ATP‐induced supramolecular systems with dynamic, stimuli‐responsive and active assembly characteristics. Molecular design rules for ATP‐induced assemblies with various architectures and their stimuli‐responsive structural and functional response are categorized. Special attention is given to the immense potential of ATP‐fuelled designs in the nascent field of transient/non‐equilibrium supramolecular polymerization for the synthesis of lifelike temporally programmable soft materials. Finally, the existing dearth and fate of ATP‐driven systems for future challenges are discussed.
Structure and characterization of organotin bimetallic supramolecular coordination polymers based on copper cyanide building blocks and pyrazine or pyrazine‐2‐carboxylic acid as new promising anticancer agents
Authors: Etaiw Safaa Eldin H. , Marie Hasan , Elsharqawy Fatma A.
Published: June 2020

The supramolecular coordination polymers (SCP);∞3[Cu (CN)2(Me3Sn)(pyz)], pyrazine‐trimethyltin‐bis (cyanide) copperISCP1, [Cu2(CN)3(Ph3Sn)(pyz)], pyrazine‐triphenyltin‐tris (cyanide) dicopperISCP3and [Cu2(CN)4(Ph3Sn)(Pyz2caH)2], bis‐pyrazine‐2‐carboxylic acid‐ triphenyltin‐tetrakis (cyanide) dicopperISCP4and the coordination complex (CC), [CuII(Pyz2‐ca)2(H2O)2]; diaquo‐bis‐(pyrazine‐2‐carboxylato) copper(II)complex: CC2, are synthesized by self‐assembly method at ambient conditions. Single crystal X‐ray structures of SCP1and CC2indicate the presence of CuIand CuIIwhich adopt tetrahedral and octahedron geometry, respectively. The structures of SCP3and SCP4are solved by the density functional theory (DFT) calculations and spectroscopic methods. The Cu centers acquire triagonal plane, linear and tetrahedral geometry, respectively. The CN‐R3Sn‐NC spacer and pyrazine or pyrazine‐2‐carboxylic acid ligands extend the structures to 3D‐network. The tested compounds1–4are designed and synthesized to examine their effects on viability and proliferation of five human cancer cell lines. Also, they are tested for antioxidant activity using ABTS assay and rate erythrocyte hemolysis.
Preparation and reshaping of composite microparticles for color toner based on the encapsulated nanoparticles
Authors: Liao Jun , Ye Mingquan , Han Aijun , Chen Xin , Zhang Kui , Guo Jianming , Chen Chenlu
Published: June 2020

In this paper, the styrene–acrylic resin‐encapsulated organic pigment composite nanoparticles were synthesized by mini‐emulsion polymerization first, and then the aggregated microparticles used for color toner were prepared via the emulsion aggregation method. Transmission electron microscopy, dynamic light scattering, and zeta potential analysis manifest that when the emulsifier dosage was 5 wt% of the monomer, the composite nanoparticles owned clearly core‐shell structure, uniform size, and appropriate zeta potential, which was conducive to the subsequent aggregation. The evolution of aggregated particle size and morphology under different stirring rates, coagulant concentrations, and temperatures was investigated by mastersizer and scanning electron microscopy. The result shows that when the stirring rate was 1,000 rpm, coagulant concentration was 0.2 mol/L, and the curing temperature was 65°C, aggregated particles with suitable size, narrow size distribution, and regular shape could be obtained. The reshaping of aggregated particles can further improve their morphology. When the reshaping temperature was 75°C, the product particles owned perfect spherical shape, and there were almost no cracks and pores on the surface of the particles. This synthesis strategy is believed to provide a guide for the fabrication of composite microparticles with controllable particle size and morphology.
Gun to body: Mental health against unchilding
Authors: Shalhoub‐Kevorkian Nadera
Published: June 2020

The paper demarcates the ways children experience and locate their suffering within the colonial violence that dominates their reality. It follows Martín‐Baró's model of articulating a critical psychology “of the people,” (Lykes & Sibley, 2014) while connecting and constructing the author's analysis through the words and reflections of Palestinian children from Jerusalem, Hebron and Gaza. To understand Palestinian children's narrations, the article analyzes (1) how territorial siege, segregation and separation from the homeland constitute, as children in Gaza explained, “non‐breathing,” non‐living spaces, produced by rendering lands, bodies, and lives exterminable and disposable; (2) how securitization and military checkpoints (“killing boxes”) dominate the geography of the neighbourhood, so as to confine children within a condition of “caging” and maintain them as “caged others;” and (3) how the settler colonial governance of childhood invades not only public space with their “killing boxes,” but also the Palestinian home and intimate familial spaces through practices of child home‐arrests. It concludes by illustrating the ways in which children endure ongoing wounding and engage in the process of healing while living under the ideological militarized force of uprootedness and “rightlessness.” Politicizing the examinations, and interventions with children's wounds and traumas, when living and surviving what the article frames as a “gun to body” context, can promote mental health worker's attentiveness to children's performances and transformations, recognizing and affirming the agency of subjects undergoing dispossession and cruel injustice.
Advances in [4+3]‐Annulation/Cycloaddition Reactions Leading to Homo‐ and Heterocycles with Seven‐Membered Rings
Authors: Selvaraj Karuppu , Chauhan Sachin , Sandeep K. , Swamy K. C. Kumara
Published: June 2020

In this review, we summarize advances in [4+3] and a few other annulation/cycloaddition reactions for the construction of seven membered rings, with an emphasis on the literature subsequent to the year 2010. The type of products include the following: azepines, diazepines, benzazepinones, 1,2‐diazepinones, oxazepinones, benzothiazepines, benzodiazepinones, benzoxopinones, cyclohepta[b]indoles, benzoxazepines, azepino‐indoles, oxepines/oxazepanes, triazepines oxepinoindolones/azepinoindolones, oxadiazepines, azabicyclooctanes. Emphasis is also given to cover diverse types of annulations; possible intermediates are displayed in the illustrated schemes to aid future work.
The effect of magnetized water on the oxidation reaction of phenol derivatives and aromatic amines by horseradish peroxidase enzyme
Authors: Emamdadi Narjes , Gholizadeh Mostafa , Housaindokht Mohammad Reza
Published: June 2020

The present study aimed to investigate, for the first time, the rate of the oxidation reaction of some derivatives of phenol and aromatic amines, that is, pyrogallol, catechol, resorcinol, ortho‐aminophenol, meta‐aminophenol, para‐aminophenol, ortho‐phenylenediamine, and para‐phenylenediamine, in the presence of hydrogen peroxide in pure and magnetized solvents using horseradish peroxidase enzyme. The reaction was studied in the absence and presence of a magnetized solvent under completely identical conditions. The results showed that magnetized solvent could change the structure of the enzyme and reduce its activity. In addition, it affected the rate of oxidation of the selected derivatives through altering the strength of the hydrogen bonds of the system. The changes in the structure and activity of the enzyme were examined using UV–Vis and fluorescence spectroscopy as well as viscosity measurement technique. Examination of the secondary structure via the far UV‐CD spectrum indicated the increase in the alpha helical structure in the magnetized solvent. When dissolved in a magnetized solvent, hydrogen peroxide as an enzyme substrate reduced the rate of enzymatic reaction and provided lower saturation conditions for the enzyme compared with when it was dissolved in the pure solvent.
Subarachnoid space trabeculae architecture
Authors: Saboori Parisa
Published: June 2020

Introduction

The motion of the brain relative to the skull is influenced by the architecture of the subarachnoid space (SAS), and in particular, by the arachnoid trabeculae. In previous studies of these structures, specific shapes were identified. However, the work presented here shows much finer detail of the SAS geometries using SEM and TEM.

Materials and methods

These images were acquired by maintaining the SAS structure of a rat using glutaraldehyde formaldehyde to strengthen the tissues via crosslinking with the biological proteins.

Results

The results showed the detailed shape of five dominant arachnoid trabeculae structures: single strands, branched strands, tree like shapes, sheets, and trabecular networks. Each of these architectures would provide a different response when exposed to a tensile load and would provide different levels of resistance to the flow of the cerebrospinal fluid (CSF) within the SAS.

Conclusion

This very detailed level of geometric information will therefore allow more accurate finite element models of the SAS to be developed.
Downregulation of KIAA1199 by miR‐486‐5p suppresses tumorigenesis in lung cancer
Authors: Wang Anqi , Zhu Jianjie , Li Juan , Du Wenwen , Zhang Yang , Cai Tingting , Liu Ting , Fu Yulong , Zeng Yuanyuan , Liu Zeyi , Huang Jian‐an
Published: June 2020

Lung cancer is the primary cause of death among cancer patients in China, among which nonsmall cell lung cancer (NSCLC) makes up the great majority. Hence, it is imperative to identify the biomarkers and mechanisms involved in NSCLC oncogenesis. Our present research found that KIAA1199 expression was significantly increased in NSCLC and closely related to cell proliferation, motility, and poor prognosis. We demonstrated that knockdown of KIAA1199 reduced NSCLC cell growth and motility in vitro whereas overexpression of KIAA1199 had the opposite effect. Inhibition of KIAA1199 significantly suppressed tumor growth in mouse NSCLC xenograft models. Mechanistically, as an epidermal growth factor receptor (EGFR)‐binding protein, KIAA1199 promotes EGFR signaling and regulates EGFR‐dependent Src, Erk, and Akt phosphorylation, as well as downstream kinases in the EGF‐mediated EMT pathway. We demonstrated that KIAA1199 can function as a direct binding target for miR‐486‐5p and that miR‐486‐5p overexpression can attenuate proliferation and migration of NSCLC cells via regulating the EGFR signaling pathways. To conclude, our results defined KIAA1199 as an oncogenic protein that promotes cancer cell proliferation and migration by regulating EGF‐mediated signaling pathways. This study provided new insight into NSCLC oncogenesis, which could lead to the development of innovative therapeutic plans for NSCLC.
Boron‐Containing Lipids and Liposomes: New Conjugates of Cholesterol with Polyhedral Boron Hydrides
Authors: Bregadze Vladimir I. , Sivaev Igor B. , Dubey Ravindra Dhar , Semioshkin Andrey , Shmal'ko Akim V. , Kosenko Irina D. , Lebedeva Kseniya V. , Mandal Swadhin , Sreejyothi Prasannakumar , Sarkar Arindam , Shen Zheyu , Wu Aiguo , Hosmane Narayan S.
Published: June 2020

A series of boron‐containing lipids were prepared by reactions of cyclic oxonium derivatives of polyhedron boranes and metallacarboranes (closo‐dodecaborate anion, cobalt and iron bis(dicarbollides)) with amine and carboxylic acids which are derived from cholesterol. Stable liposomal formulations, on the basis of synthesized boron‐containing lipids, hydrogenated soybean l‐α‐phosphatidylcholine and (HSPC) 1,2‐distearoyl‐sn‐glycero‐3‐phosphoethanolamine‐N‐[methoxy(polyethylene glycol)‐2000] (DSPE‐PEG) as excipients, were prepared and then characterized by dynamic light scattering (DLS) that revealed the formation of particles to be smaller than 200 nm in diameter. The resulting liposomal formulations showed moderate to excellent loading and entrapment efficiency, thus justifying the design of the compounds to fit in the lipid bilayer and ensuring ease of in vivo use for future application. The liposomal formulations based on cobalt and iron bis(dicarbollide)‐based lipids were found to be nontoxic against both human breast normal epithelial cells MCF‐10A and human breast cancer cells MCF‐7.
Polypyridyl‐Based Copper Phenanthrene Complexes: Combining Stability with Enhanced DNA Recognition
Authors: Fantoni Nicoló Zuin , Molphy Zara , O'Carroll Sinéad , Menounou Georgia , Mitrikas George , Krokidis Marios G. , Chatgilialoglu Chryssostomos , Colleran John , Banasiak Anna , Clynes Martin , Roche Sandra , Kelly Suainibhe , McKee Vickie , Kellett Andrew
Published: June 2020

We report a series of copper(II) artificial metallo‐nucleases (AMNs) and demonstrate their DNA damaging properties andin‐vitrocytotoxicity against human‐derived pancreatic cancer cells. The compounds combine a tris‐chelating polypyridyl ligand, di‐(2‐pycolyl)amine (DPA), and a DNA intercalating phenanthrene unit. Their general formula is Cu‐DPA‐N,N' (whereN,N'=1,10‐phenanthroline (Phen), dipyridoquinoxaline (DPQ) or dipyridophenazine (DPPZ)). Characterisation was achieved by X‐ray crystallography and continuous‐wave EPR (cw‐EPR), hyperfine sublevel correlation (HYSCORE) and Davies electron‐nuclear double resonance (ENDOR) spectroscopies. The presence of the DPA ligand enhances solution stability and facilitates enhanced DNA recognition with apparent binding constants (Kapp) rising from 105to 107 m−1with increasing extent of planar phenanthrene. Cu‐DPA‐DPPZ, the complex with greatest DNA binding and intercalation effects, recognises the minor groove of guanine–cytosine (G‐C) rich sequences. Oxidative DNA damage also occurs in the minor groove and can be inhibited by superoxide and hydroxyl radical trapping agents. The complexes, particularly Cu‐DPA‐DPPZ, display promising anticancer activity against human pancreatic tumour cells within‐vitroresults surpassing the clinical platinum(II) drug oxaliplatin.
Model Discrimination for Multicomponent Distillation – A Geometrical Approach for Total Reflux
Authors: Waltermann Thomas , Schlueter Stefan , Benfer Regina , Knoesche Carsten , Górak Andrzej , Skiborowski Mirko
Published: June 2020

While rate‐based models are available in commercial flowsheet simulation tools, packed distillation columns are still mostly designed based on the equilibrium stage model in combination with HETP values. In order to discriminate between both types of models in a simple way, this article proposes an algorithmic test, based on a geometric criterion for total reflux operation. Substantial differences are illustrated especially for wide‐boiling mixtures, while component‐specific mass transfer rates either increase or reduce the deviation. The derived results are validated by dedicated experiments.
A new guideline from the College of American Pathologists to improve the adequacy of thoracic small specimens for ancillary studies
Authors: Roy‐Chowdhuri Sinchita
Published: June 2020

With advancments in technology for minimally invasive sampling techniques, pathology laboratories are receiving increasing numbers of small biopsy and cytology specimens for multiple ancillary studies to help in the diagnosis and management of pulmonary diseases. A recently published evidence‐based guideline from the College of American Pathologists (CAP), in collaboration with 8 other professional medical societies, provides recommendations to clinicians for the collection of adequate material for diagnostic and ancillary testing as well as optimal handling in an attempt to prioritize ancillary testing. The primary goal of developing this CAP guideline is to assist pathologists and their clinical colleagues to better collect and handle small thoracic pathology specimens to help guide therapeutic decisions.
Application of genetic algorithm to color recipe formulation using reactive and direct dyestuffs mixtures
Authors: Chaouch Sabrine , Moussa Ali , Ben Marzoug Imed , Ladhari Neji
Published: June 2020

Color reproduction is a science in constant development. In this article, a new model to solve the color recipe prediction problem using a genetic algorithm is proposed. The objective is to optimize the color recipe prediction stage by determining the dyes to use in a mixture and their respective proportions to reproduce the target color. Two ranges of dyes were used for dyeing 100% cotton woven fabrics: three reactive dyes (CI Reactive Red 238, CI Reactive Yellow 145, and CI Reactive Blue 235) and four direct dyes (CI Direct Orange 34, CI Direct Red 227, CI Direct Blue 85, and CI Direct Black 22). The criterion of optimization, in reproducing the desired shades, is to minimize the CMC color difference between the desired reference color and the color resulting of the predicted recipe. The proposed algorithm revealed good results with small CMC color differences between target and reproduced colors. The effectiveness of the algorithm was also evaluated and proven by calculating errors between the predicted concentrations in the proposed recipes and the actual concentrations.
A many‐objective integrated evolutionary algorithm for feature selection in anomaly detection
Authors: Zhang Zhixia , Xie Liping
Published: June 2020

At present, irrelevant or redundant features in network traffic data occupy a lot of storage and computing resources, reducing the accuracy of network anomaly detection. Aiming at this problem, a many‐objective feature selection model is proposed in this article. The model takes the number of selected feature, false alarm rate, detection rate, precision and accuracy as the optimization objectives, and characterizes the performance of the feature selection method from different perspectives. At the same time, a many‐objective integration optimization algorithm (IN‐MaOEA) is designed to solve this model. First, the algorithm will build the evolution strategy pool and the dominance strategy pool, then a random probability strategy selection mechanism is designed to improve the algorithm's convergence and diversity. At the same time, an anomaly detection simulation was performed using the NSL‐KDD dataset. Experimental results show that the IN‐MaOEA algorithm can effectively improve the performance of detection.
Physical simulation of upper protective coal layer mining with different coal seam inclinations
Authors: Fang Feng , Shu Cai , Wang Hongtu
Published: June 2020

Protective coal layer (PCL) mining is a preferred regional method for preventing coal and gas outbursts; stress‐relief of PCL mining is the prerequisite of pressure‐relief gas drainage. In order to study the stress‐relief effect of PCL mining on protected coal seams and determine the protection scope of PCL mining under different inclinations, this paper uses physical simulations to study the stress‐relief law and deformation characteristics of the strata during upper PCL mining with a gentle inclination (25°), an intermediate inclination (45°), and a steep inclination (65°). The results show that as the coal seam dip increases, the degree of deformation and failure of the overburden strata gradually decreases, the severe subsidence and expansion area of the overburden strata tends to gradually develop in the uphill direction of the working face, and the floor strata underlying the protective seam significantly expand toward the goaf. However, the absolute value of the upward movement of the floor strata is much smaller than that of the roof strata; and the greater the dip angle, the greater the ratio of floor displacement to roof subsidence. The stress‐relief curve of the protected layer is approximately U‐shaped. As the inclination of the coal seam increases, the stress‐relief range decreases gradually. The maximum relief‐stress and the stress release coefficient of the protected layer initially increase and then decrease. The stress concentration coefficient of the protected coal seam initially increases first and then decreases in both uphill and downhill of the working face in the PCL. As the inclination increases, the stress‐relief angle of the downhill boundary initially increases and then decreases, while the stress‐relief angle of the uphill boundary decreases gradually. Our research results provide guidance for the delimitation of the protected scope of PCLs with different dip angles.
Maternal nutrition intervention focused on the adjustment of salt and sugar intake can improve pregnancy outcomes
Authors: Seo Yuri , Jeong Yeon Seon , Koo Kyung‐A , Yang Jeong In , Park Yoo Kyoung
Published: June 2020

Due to the increasing age of pregnant women, maternal nutrition management is becoming more important. Since pregnant women are more likely to consume sodium and sugars than nonpregnant women of the same age, we investigated whether maternal nutrition intervention focused on the adjustment of salt and sugar intake can help pregnancy outcome. This randomized controlled trial was performed on 142 pregnant women within 22 weeks of gestational age for at least 16 weeks until childbirth. Subjects were unequally assigned to the intervention group (n = 98) and the control group (n = 44). Dietary changes based on perceived taste preferences were evaluated by 24‐hr dietary recall and food frequency questionnaires (FFQ) at pre‐ and postintervention. In the intervention group, while the intakes of energy, protein, and vitamins were maintained, the intakes of sodium (p < .001) and sugar from processed food (p < .05) were significantly reduced after the intervention. The decreases in salt and sugar consumption were more pronounced in the mothers who had a high preference for saltiness and sweetness. The mean neonatal birth weight of the intervention group was significantly greater than the weight of control group, (3,251.5 ± 402.2 g vs. 2,974.5 ± 294.8 g, p < .05). Through this study, nutrition intervention was found to be effective for the formation of healthy eating habits such as reduced salt and sugar intake in pregnant women especially with a high preference for saltiness and sweetness. Also, such specialized maternal nutrition intervention during pregnancy promotes the birth of healthy newborn babies of normal weight.
Effects of PPAR‐γ agonists on oral cancer cell lines: Potential horizons for chemopreventives and adjunctive therapies
Authors: Hall Jeffrey A. , Rusten Mark , Abughazaleh Raed D. , Wuertz Beverly , Souksavong Vannesa , Escher Paul , Ondrey Frank
Published: June 2020

Background

Peroxisome proliferator‐activated receptor‐gamma (PPAR‐γ) activators have anti‐cancer effects. Our objective was to determine the effect of PPAR‐γ ligands 15‐deoxy‐D12,14‐Prostaglandin J2 (15‐PGJ2) and ciglitazone on proliferation, apoptosis, and NF‐κB in human oral squamous cell carcinoma cell lines.

Methods

NA and CA9‐22 cells were treated in vitro with 15‐PGJ2 and ciglitazone. Proliferation was measured by MTT colorimetric assay and cell cycle analysis performed via flow cytometry, apoptosis by caspase‐3 colorimetric assay and poly‐(ADP‐ribose) polymerase cleavage on Western blot, and NF‐κB activation by luciferase assays.

Results

MTT assays demonstrated dose‐dependent decreases after 15‐PGJ2 treatment in both cell lines, and S‐phase cell cycle arrest was also demonstrated. NF‐κB luciferase reporter gene activity decreased seven‐ and eightfold in NA and CA9‐22 cells, respectively. Caspase‐3 activity increased two‐ and eightfold in NA and CA9‐22 cells, respectively.

Conclusions

Our results suggest these agents, in addition to activating PPAR‐γ, can downregulate NF‐κB and potentiate apoptosis in oral cancer cells.
Design and synthesis of 2,4‐dioxochroman‐pyridinium‐phenylacetamide derivatives as new anti‐Alzheimer agents: in vitro and in silico studies
Authors: Mollazadeh Marjan , Mohammadi‐Khanaposhtani Maryam , Azizian Homa , Zonouzi Afsaneh , Abdolahi Zahra , Nadri Hamid , Larijani Bagher , Biglar Mahmood , Mahdavi Mohammad
Published: June 2020

2,4‐Dioxochroman‐pyridinium‐phenylacetamide derivatives 7a–n were synthesized and evaluated for their in vitro cholinesterase (ChE) inhibitory activities against acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE). Obtained results demonstrated that, among the synthesized compounds, two compounds, 7j and 7k, were more potent than the standard drug donepezil against BuChE and did not show cytotoxicity and carcinogenicity. Furthermore, through molecular modeling and molecular dynamic studies. we showed that these compounds can be located deep in the gorge cavity of BuChE and that they interacted with catalytic residues, acyl, and cholin‐binding pockets of this enzyme. Support information
New monodentate and bidentate silylene ligands byDFT
Authors: Ayoubi‐Chianeh Mojgan , Kassaee Mohamad Z.
Published: June 2020

Considering the importance of silylene ligands in transition metal‐mediated catalytic reactions, we have scrutinized eight novel monodentate (1–4) and bidentate (1′‐4′) derivatives of 2,5‐diX‐cyclopentasilylene‐2,4‐dienes (X = NH2, OH, PH2, and SH), at M06/6‐311++G** level of theory. To probe the complexation ability of our scrutinized silylene ligands with Rh atom (1Rh‐4Rhand1′Rh‐4′Rh, respectively), thermodynamic and structural parameters such as complexation energy (ΔECom), singlet‐triplet energy gap (ΔEs‐t), bond length, along with NBO and atoms in molecules analyses are provided. In going from less electron donating groups (EDGs) to more EDGs (NH2> OH > PH2> SH), theσ‐donor strength and ligand flexibility increase. Structures1and1′turn out as the most nucleophilic species for showing the highest nucleophilicity (N= 5.47 and 5.40 eV, respectively). Furthermore, they exhibit the highest proton affinity values (PA = 271.46 and 271.23 kcal/mol, respectively). The results indicate that bidentate coordination mode of silylene leads to a stronger Si‐Rh complex. The overall orders ofσ‐donation ability for monodentate and bidentate silylene ligands are1>2>3>4and1′>2′>3′>4′, respectively.
Versatile role of curcumin and its derivatives in lung cancer therapy
Authors: Ashrafizadeh Milad , Najafi Masoud , Makvandi Pooyan , Zarrabi Ali , Farkhondeh Tahereh , Samarghandian Saeed
Published: June 2020

Lung cancer is a main cause of death all over the world with a high incidence rate. Metastasis into neighboring and distant tissues as well as resistance of cancer cells to chemotherapy demand novel strategies in lung cancer therapy. Curcumin is a naturally occurring nutraceutical compound derived from Curcuma longa (turmeric) that has great pharmacological effects, such as anti‐inflammatory, neuroprotective, and antidiabetic. The excellent antitumor activity of curcumin has led to its extensive application in the treatment of various cancers. In the present review, we describe the antitumor activity of curcumin against lung cancer. Curcumin affects different molecular pathways such as vascular endothelial growth factors, nuclear factor‐κB (NF‐κB), mammalian target of rapamycin, PI3/Akt, microRNAs, and long noncoding RNAs in treatment of lung cancer. Curcumin also can induce autophagy, apoptosis, and cell cycle arrest to reduce the viability and proliferation of lung cancer cells. Notably, curcumin supplementation sensitizes cancer cells to chemotherapy and enhances chemotherapy‐mediated apoptosis. Curcumin can elevate the efficacy of radiotherapy in lung cancer therapy by targeting various signaling pathways, such as epidermal growth factor receptor and NF‐κB. Curcumin‐loaded nanocarriers enhance the bioavailability, cellular uptake, and antitumor activity of curcumin. The aforementioned effects are comprehensively discussed in the current review to further direct studies for applying curcumin in lung cancer therapy.
The Association Between Concurrence of Infection and the Onset of Severe Eruption or Liver Injury in Patients Using Antipyretic Analgesics: A Matched, Nested Case‐Control Study
Authors: Imatoh Takuya , Sai Kimie , Saito Yoshiro
Published: June 2020

Stevens‐Johnson syndrome (SJS) and toxic epidermal necrosis (TEN) or drug‐induced liver injury (DILI) are severe drug‐induced reactions, known as idiosyncratic drug reactions. It is believed that immune response can lead to these severe adverse drug reactions. Our previous analysis of the Japanese Spontaneous Drug Reaction database suggested that the onset of SJS/TEN and DILI was strongly associated with infection. Hence, we conducted a matched, nested case‐control study to elucidate the association between concurrent infection and the onset of SJS/TEN or liver injury in patients prescribed antipyretic analgesics. We extracted 4 112 055 patients who were prescribed antipyretic analgesics between January 2014 and December 2015. Amongst them, 553 (0.01%) were diagnosed with SJS/TEN and 12 606 (0.3%) with liver injury. In a matched, nested case‐control study, 131 and 2847 cases matched for SJS/TEN or liver injury, respectively. For each case, 3 controls were randomly matched with the case for age at index date and sex. In the conditional logistic regression analysis, there was a significant association between the combination of infection and antipyretic analgesics and the onset of SJS/TEN or liver injury (SJS/TEN: adjusted OR, 5.59; 95%CI, 2.01‐15.51; liver injury: adjusted OR, 2.79; 95%CI, 2.24‐3.46). Although it was not possible to distinguish whether the associations were caused by the infection or were a direct consequence of the antibiotic agents, our findings may help to increase awareness of the possibility of the increased onset of idiosyncratic drug reactions (SJS/TEN and liver injury) in antipyretic analgesic users because of infections.
Applications of scanning electron microscopy in taxonomy with special reference to family Euphorbiaceae
Authors: Alyas Tahira , Shaheen Shabnum , Amber Uswah , Harun Nidaa , Khalid Sana , Hussain Khadim , Hanif Uzma , Khan Farah
Published: June 2020

The present study was carried out to identify the 20 medicinally important species of family Euphorbiaceae by the aid of scanning electron microscopy (SEM) of the foliar anatomical characteristics. Both qualitative and quantitative measurements for the anatomical characters like epidermal cells, stomata, trichomes, and subsidiary cells on both abaxial(ab) and adaxial(ad) epidermis were recorded. Remarkable variations in these anatomical features had been observed among the studied Euphorbiaceae species. Most species had epidermal cells irregular or polygonal in shape, only five species had hexagonal cells, that is, Euphorbia neriifolia L., Euphorbia prostate Aiton, Jatropha integerrima Jacq., Vernicia fordii (Hemsl.), and Euphorbia royleana Boiss. Stomata were abundant on abaxial epidermis as compared to adaxial epidermis. E. prostate Aiton, Euphorbia pulcherrima Willd. Ex Klotzsch and Phyllanthus emblica L. possessed anomocytic stomata, and Euphorbia helioscopia L., Euphorbia cotinifolia L., E. neriifolia L., and Ricinus communis L. possessed anisocytic stomata, while rest of the species had paracytic stomata. Trichomes were present in very few species including Euphorbia hirta L., E. prostate Aiton, E. pulcherrima Willd. Ex Klotzsch, and Putranjiva roxburghii Wall. Similarly, variations were also reported by quantitative features such as E. helioscopia L. can be distinguished from E. hirta on the basis of length of epidermal cells, that is, 103.4 ± 0.15 and 74.9 ± 0.55 μm, respectively. Moreover, E. pulcherrima Willd. Ex Klotzsch had trichomes with the length of 408 ± 0.55 μm and P. roxburghii Wall. had trichome with the length of 314.2 ± 1.35 μm, respectively. These findings confirmed that taxonomic utility of the anatomical traits for the identification of studied Euphorbiaceae taxa.