bluuebunny/crossref_metadata_2025 huggingface dataset:
Unique chemical activity in porous YbB2C2 ceramics with high porosity and high compressive strength
Authors: Li Zhihui , Chen Jixin , Zhang Hao , Yang Jinxing , Hu Minmin , Sun Luchao , Zhang Zerong , Zhang Yongheng , Li Meishuan
Published: November 2020

High purity layered YbB2C2 powder is synthesized by a boro/carbothermic reduction method using YbBO3, B4C and graphite powders as raw materials. Its X-ray diffraction data are presented, and the space group P4/mbm (No. 127) is confirmed. The lattice parameters are a = b = 5.3389 Å and c = 3.5683 Å, and the atom positions are Yb (0.0000, 0.0000, 0.0000), B (0.3621, 0.8621, 0.5000), and C (0.1606, 0.6606, 0.5000). Porous YbB2C2 ceramics have a high porosity in the range of 69.89–58.11% and a high compressive strength in the range of 19.49–63.44 MPa. Furthermore, the as-produced porous YbB2C2 ceramics show unique chemical activity. Porous YbB2C2 ceramic with a porosity of 69.89% emits so much heat that it can burn a piece of paper when this ceramic is wetted by water. The rate of reaction between the porous YbB2C2 ceramic and water can be simply controlled by adjusting the porosity. The solid reaction products are YbB6, C and an unknown amorphous phase.
Role of 11β-hydroxysteroid dehydrogenase type 1 in the development of atopic dermatitis
Authors: Lee Noo Ri , Kim Beom Jun , Lee Chung Hyeok , Lee Young Bin , Lee Solam , Hwang Hyun Jee , Kim Eunjung , Kim Sung Hee , Lee Min-Geol , Lee Sang Eun , Lavery Gareth G. , Choi Eung Ho
Published: November 2020

Glucocorticoids (GCs) are potent anti-inflammatory drugs, the secretion of which is mediated and controlled by the hypothalamic–pituitary–adrenal axis. However, they are also secreted de novo by peripheral tissues for local use. Several tissues express 11β-hydroxysteroid dehydrogenase 1 (11β-HSD1), including the skin. The inactive GC cortisone is converted by 11β-HSD1 to active GC cortisol, which is responsible for delayed wound healing during a systemic excess of GC. However, the role of 11β-HSD1 in inflammation is unclear. We assessed whether 11β-HSD1 affects the development of atopic dermatitis (AD) in vitro and in vivo. The expression of 11β-HSD1 in the epidermis of AD lesions was higher than that in the epidermis of healthy controls. Knockdown of 11β-HSD1 in human epidermal keratinocytes increased the production of thymic stromal lymphopoietin. In an oxazolone-induced mouse model of AD, localized inhibition of 11β-HSD1 aggravated the development of AD and increased serum cytokine levels associated with AD. Mice with whole-body knockout (KO) of 11β-HSD1 developed significantly worse AD upon induction by oxazolone. We propose that 11β-HSD1 is a major factor affecting AD pathophysiology via suppression of atopic inflammation due to the modulation of active GC in the skin.
EpOMEs act as immune suppressors in a lepidopteran insect, Spodoptera exigua
Authors: Vatanparast Mohammad , Ahmed Shabbir , Lee Dong-Hee , Hwang Sung Hee , Hammock Bruce , Kim Yonggyun
Published: November 2020

Epoxyoctadecamonoenoic acids (EpOMEs) are epoxide derivatives of linoleic acid (9,12-octadecadienoic acid) and include 9,10-EpOME and 12,13-EpOME. They are synthesized by cytochrome P450 monooxygenases (CYPs) and degraded by soluble epoxide hydrolase (sEH). Although EpOMEs are well known to play crucial roles in mediating various physiological processes in mammals, their role is not well understood in insects. This study chemically identified their presence in insect tissues: 941.8 pg/g of 9,10-EpOME and 2,198.3 pg/g of 12,13-EpOME in fat body of a lepidopteran insect,Spodoptera exigua. Injection of 9,10-EpOME or 12,13-EpOME into larvae suppressed the cellular immune responses induced by bacterial challenge. EpOME treatment also suppressed the expression of antimicrobial peptide (AMP) genes. Among 139S. exiguaCYPs, an ortholog (SE51385) to human EpOME synthase was predicted and its expression was highly inducible upon bacterial challenge. RNA interference (RNAi) ofSE51385prevented down-regulation of immune responses at a late stage (> 24 h) following bacterial challenge. A soluble epoxide hydrolase (Se-sEH) ofS. exiguawas predicted and showed specific expression in all development stages and in different larval tissues. Furthermore, its expression levels were highly enhanced by bacterial challenge in different tissues. RNAi reduction of Se-sEH interfered with hemocyte-spreading behavior, nodule formation, and AMP expression. To support the immune association of EpOMEs, urea-based sEH inhibitors were screened to assess their inhibitory activities against cellular and humoral immune responses ofS. exigua. 12-(3-adamantan-1-yl-ureido) dodecanoic acid (AUDA) was highly potent in suppressing the immune responses. The addition of AUDA to a pathogenic bacterium significantly increased bacterial pathogenicity by suppressing host immune defense. In sum, this study demonstrated that EpOMEs play a crucial role in facilitating anti-inflammatory responses inS. exigua.
Identification of plaque ruptures using a novel discriminative model comprising biomarkers in patients with acute coronary syndrome
Authors: Kook Hyungdon , Jang Duck Hyun , Kim Jong-Ho , Cho Jae-Young , Joo Hyung Joon , Cho Sang-A , Park Jae Hyoung , Hong Soon Jun , Yu Cheol Woong , Lim Do-Sun
Published: November 2020

Soluble lectin-like oxidized low-density lipoprotein receptor-1 (sLOX-1), neutrophil gelatinase-associated lipocalin (NGAL), and matrix metalloproteinase-9 (MMP-9) are inflammatory biomarkers involved in plaque destabilization resulting in acute coronary syndrome (ACS). This study aimed to investigate the diagnostic value of a combination of biomarkers to discriminate plaque ruptures in the setting of ACS. Eighty-five ACS patients with optical coherence tomography (OCT) images of the culprit plaque were included and categorized into two groups: ACS with plaque rupture (Rupture group, n = 42) or without plaque rupture (Non-rupture group, n = 43) verified by OCT. A discriminative model of plaque rupture using several biomarkers was developed and validated. The Rupture group had higher white blood cell (WBC) counts and peak creatine kinase-myocardial band (CK-MB) levels (13.39 vs. 2.69 ng/mL, p = 0.0016). sLOX-1 (227.9 vs. 51.7 pg/mL, p < 0.0001) and MMP-9 (13.4 vs. 6.45 ng/mL, p = 0.0313) levels were significantly higher in the Rupture group, whereas NGAL showed a trend without statistical significance (59.03 vs. 53.80 ng/mL, p = 0.093). Receiver operating characteristic curves to differentiate Rupture group from Non-rupture group calculated the area under the curve for sLOX-1 (p < 0.001), MMP-9 (p = 0.0274), and NGAL (p = 0.0874) as 0.763, 0.645, and 0.609, respectively. A new combinatorial discriminative model including sLOX-1, MMP-9, WBC count, and the peak CK-MB level showed an area under the curve of 0.8431 (p < 0.001). With a cut-off point of 0.614, the sensitivity and specificity of plaque rupture were 62.2% and 97.6%, respectively. The new discriminative model using sLOX-1, MMP-9, WBC count, and peak CK-MB levels could better identify plaque rupture than each individual biomarker in ACS patients.
Publisher Correction: A genome-wide structure-based survey of nucleotide binding proteins in M. tuberculosis
Authors: Bhagavat Raghu , Kim Heung-Bok , Kim Chang-Yub , Terwilliger Thomas C. , Mehta Dolly , Srinivasan Narayanaswamy , Chandra Nagasuma
Published: November 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Predicting global patterns of long-term climate change from short-term simulations using machine learning
Authors: Mansfield L. A. , Nowack P. J. , Kasoar M. , Everitt R. G. , Collins W. J. , Voulgarakis A.
Published: November 2020

Understanding and estimating regional climate change under different anthropogenic emission scenarios is pivotal for informing societal adaptation and mitigation measures. However, the high computational complexity of state-of-the-art climate models remains a central bottleneck in this endeavour. Here we introduce a machine learning approach, which utilises a unique dataset of existing climate model simulations to learn relationships between short-term and long-term temperature responses to different climate forcing scenarios. This approach not only has the potential to accelerate climate change projections by reducing the costs of scenario computations, but also helps uncover early indicators of modelled long-term climate responses, which is of relevance to climate change detection, predictability, and attribution. Our results highlight challenges and opportunities for data-driven climate modelling, especially concerning the incorporation of even larger model datasets in the future. We therefore encourage extensive data sharing among research institutes to build ever more powerful climate response emulators, and thus to enable faster climate change projections.
Push Button Population Health: The SMART/HL7 FHIR Bulk Data Access Application Programming Interface
Authors: Mandl Kenneth D. , Gottlieb Daniel , Mandel Joshua C. , Ignatov Vladimir , Sayeed Raheel , Grieve Grahame , Jones James , Ellis Alyssa , Culbertson Adam
Published: November 2020

The 21st Century Cures Act requires that certified health information technology have an application programming interface (API) giving access to all data elements of a patient’s electronic health record, “without special effort”. In the spring of 2020, the Office of the National Coordinator of Health Information Technology (ONC) published a rule—21st Century Cures Act Interoperability, Information Blocking, and the ONC Health IT Certification Program—regulating the API requirement along with protections against information blocking. The rule specifies the SMART/HL7 FHIR Bulk Data Access API, which enables access to patient-level data across a patient population, supporting myriad use cases across healthcare, research, and public health ecosystems. The API enables “push button population health” in that core data elements can readily and standardly be extracted from electronic health records, enabling local, regional, and national-scale data-driven innovation.
Neutrophil serine protease 4 is required for mast cell-dependent vascular leakage
Authors: AhYoung Andrew P. , Eckard Sterling C. , Gogineni Alvin , Xi Hongkang , Lin S. Jack , Gerhardy Stefan , Cox Christian , Phung Qui T. , Hackney Jason A. , Katakam Anand Kumar , Reichelt Mike , Caplazi Patrick , Manzanillo Paolo , Zhang Juan , Roose-Girma Merone , Tam Lucinda W. , Newman Robert J. , Murthy Aditya , Weimer Robby M. , Lill Jennie R. , Lee Wyne P. , Grimbaldeston Michele , Kirchhofer Daniel , van Lookeren Campagne Menno
Published: November 2020

Vascular leakage, or edema, is a serious complication of acute allergic reactions. Vascular leakage is triggered by the release of histamine and serotonin from granules within tissue-resident mast cells. Here, we show that expression of Neutrophil Serine Protease 4 (NSP4) during the early stages of mast cell development regulates mast cell-mediated vascular leakage. In myeloid precursors, the granulocyte–macrophage progenitors (GMPs), loss of NSP4 results in the decrease of cellular levels of histamine, serotonin and heparin/heparan sulfate. Mast cells that are derived from NSP4-deficient GMPs have abnormal secretory granule morphology and a sustained reduction in histamine and serotonin levels. Consequently, in passive cutaneous anaphylaxis and acute arthritis models, mast cell-mediated vascular leakage in the skin and joints is substantially reduced in NSP4-deficient mice. Our findings reveal that NSP4 is required for the proper storage of vasoactive amines in mast cell granules, which impacts mast cell-dependent vascular leakage in mouse models of immune complex-mediated diseases.
Cadmium stress dictates central carbon flux and alters membrane composition in Streptococcus pneumoniae
Authors: Neville Stephanie L. , Eijkelkamp Bart A. , Lothian Amber , Paton James C. , Roberts Blaine R. , Rosch Jason W. , McDevitt Christopher A.
Published: November 2020

Metal ion homeostasis is essential for all forms of life. However, the breadth of intracellular impacts that arise upon dysregulation of metal ion homeostasis remain to be elucidated. Here, we used cadmium, a non-physiological metal ion, to investigate how the bacterial pathogen, Streptococcus pneumoniae, resists metal ion stress and dyshomeostasis. By combining transcriptomics, metabolomics and metalloproteomics, we reveal that cadmium stress dysregulates numerous essential cellular pathways including central carbon metabolism, lipid membrane biogenesis and homeostasis, and capsule production at the transcriptional and/or functional level. Despite the breadth of cellular pathways susceptible to metal intoxication, we show that S. pneumoniae is able to maintain viability by utilizing cellular pathways that are predominately metal-independent, such as the pentose phosphate pathway to maintain energy production. Collectively, this work provides insight into the cellular processes impacted by cadmium and how resistance to metal ion toxicity is achieved in S. pneumoniae.
Inducible cell-specific mouse models for paired epigenetic and transcriptomic studies of microglia and astroglia
Authors: Chucair-Elliott Ana J. , Ocañas Sarah R. , Stanford David R. , Ansere Victor A. , Buettner Kyla B. , Porter Hunter , Eliason Nicole L. , Reid Justin J. , Sharpe Amanda L. , Stout Michael B. , Beckstead Michael J. , Miller Benjamin F. , Richardson Arlan , Freeman Willard M.
Published: November 2020

Epigenetic regulation of gene expression occurs in a cell type-specific manner. Current cell-type specific neuroepigenetic studies rely on cell sorting methods that can alter cell phenotype and introduce potential confounds. Here we demonstrate and validate a Nuclear Tagging and Translating Ribosome Affinity Purification (NuTRAP) approach for temporally controlled labeling and isolation of ribosomes and nuclei, and thus RNA and DNA, from specific central nervous system cell types. Analysis of gene expression and DNA modifications in astrocytes or microglia from the same animal demonstrates differential usage of DNA methylation and hydroxymethylation in CpG and non-CpG contexts that corresponds to cell type-specific gene expression. Application of this approach in LPS treated mice uncovers microglia-specific transcriptome and epigenome changes in inflammatory pathways that cannot be detected with tissue-level analysis. The NuTRAP model and the validation approaches presented can be applied to any brain cell type for which a cell type-specific cre is available.
Otolith chemoscape analysis in whiting links fishing grounds to nursery areas
Authors: Burns Neil M. , Hopkins Charlotte R. , Bailey David M. , Wright Peter J.
Published: November 2020

Understanding life stage connectivity is essential to define appropriate spatial scales for fisheries management and develop effective strategies to reduce undersized bycatch. Despite many studies of population structure and connectivity in marine fish, most management units do not reflect biological populations and protection is rarely given to juvenile sources of the fished stock. Direct, quantitative estimates that link specific fishing grounds to the nursery areas, which produced the caught fish are essential to meet these objectives. Here we develop a continuous-surface otolith microchemistry approach to geolocate whiting (Merlangius merlangus) and infer life stage connectivity across the west coast of the UK. We show substantial connectivity across existing stock boundaries and identify the importance of the Firth of Clyde nursery area. This approach offers fisheries managers the ability to account for the benefits of improved fishing yields derived from spatial protection while minimising revenue loss.
Conservation of angular momentum in second harmonic generation from under-dense plasmas
Authors: Huang Chen-Kang , Zhang Chaojie , Nie Zan , Marsh Kenneth A. , Clayton Chris E. , Joshi Chandrashekhar
Published: November 2020

Spin and orbital angular momentum of an optical beam are two independent parameters that exhibit distinct effects on mechanical objects. However, when laser beams with angular momentum interact with plasmas, one can observe the interplay between the spin and the orbital angular momentum. Here, by measuring the helical phase of the second harmonic 2ω radiation generated in an underdense plasma using a known spin and orbital angular momentum pump beam, we verify that the total angular momentum of photons is conserved and observe the conversion of spin to orbital angular momentum. We further determine the source of the 2ω photons by analyzing near field intensity distributions of the 2ω light. The 2ω images are consistent with these photons being generated near the largest intensity gradients of the pump beam in the plasma as predicted by the combined effect of spin and orbital angular momentum when Laguerre-Gaussian beams are used.
A one-step electrochemically reduced graphene oxide based sensor for sensitive voltammetric determination of furfural in milk products
Authors: Wang Qiuqiu , Zhang Juanhua , Xu Yanbo , Wang Yingyi , Wu Liang , Weng Xuexiang , You Chunping , Feng Jiuju
Published: November 2020

One-step electrochemically reduced graphene oxide with high surface area and improved electron transfer kinetics shows great performances in the determination of furfural in dairy milk.
Förster resonance energy transfer (FRET) and applications thereof
Authors: Kaur Amrita , Kaur Pardeep , Ahuja Sahil
Published: November 2020

FRET is a nonradiative process of energy transfer that is based on the dipole–dipole interactions between molecules that are fluorescent.
In silico peptide-directed ligand design complements experimental peptide-directed binding for protein–protein interaction modulator discovery
Authors: Howell Lesley Ann , Beekman Andrew Michael
Published: November 2020

Using the protein–protein interaction of Mcl-1/Noxa, two methods for efficient modulator discovery are directly compared.
Identifying isomers of peroxy radicals in the gas phase: 1-C3H7O2vs. 2-C3H7O2
Authors: Tang Xiaofeng , Lin Xiaoxiao , Garcia Gustavo A. , Loison Jean-Christophe , Gouid Zied , Abdallah Hassan H. , Fittschen Christa , Hochlaf Majdi , Gu Xuejun , Zhang Weijun , Nahon Laurent
Published: November 2020

The two isomers of propylperoxy radical 1-C3H7O2 and 2-C3H7O2, together with their rotamers, are individually identified and assigned.
Synthesis of 3-benzylidenetetrahydrofurans: Tf2O-catalyzed hydroxylation/cyclization of cyclopropanemethanols with DMSO
Authors: Qi Zhenjie , Wang Hongchen , Ren Yi , Niu Yanning , Jiang Yong , Yan Rulong
Published: November 2020

A formal hydroxylation/cyclization of cyclopropanemethanols with DMSO is described, which involves isomerization and cyclization under Tf2O catalysis.
A strategy to enhance the up-conversion luminescence of nanospherical, rod-like and tube-like NaYF4: Yb3+, Er3+ (Tm3+) by combining with carbon dots
Authors: Wang Yanyan , Lu Wei , Yue Dan , Wang Mengnan , Tian Boshi , Li Qingfeng , Hu Bin , Wang Zhenling , Zhang Yilei
Published: November 2020

The luminescence enhanced strategy of combining the material with carbon dots to form CDs@NaYF4: Yb3+, Er3+ (Tm3+) composites is effective not only for the cubic- and hexagonal-phase materials but also for those with different morphologies.
A novel CdII-based metal–organic framework as a multi-responsive luminescent sensor for Fe3+, MnO4−, Cr2O72−, salicylaldehyde and ethylenediamine detection with high selectivity and sensitivity
Authors: Wu Lin-Hui , Yao Shu-Li , Li Jing , Xu Hui , Zheng Teng-Fei , Liu Sui-Jun , Chen Jing-Lin , Wen He-Rui
Published: November 2020

A luminescent CdII-based MOF has been synthesized.
The structure and hydrogen-bond properties ofN-alkyl-N-methyl-pyrrolidinium bis(trifluoromethylsulfonyl)imide and DMSO mixtures
Authors: Zheng Yan-Zhen , Chen Hong , Zhou Yu , Geng Deng , He Hong-Yan , Wu Li-Ming
Published: November 2020

Mixing ionic liquids (ILs) with cosolvents can extend the practical applications of ILs and overcome the drawbacks of neat ILs. Studies on the structure and hydrogen-bond interaction properties of IL–cosolvent mixtures is essential for chemical applications.
Phosphorus recovery and recycling – closing the loop
Authors: Jupp Andrew R. , Beijer Steven , Narain Ganesha C. , Schipper Willem , Slootweg J. Chris
Published: November 2020

The natural phosphorus cycle has been disrupted by human activity, which necessitates the development of new methods for the sustainable production of phosphorus compounds, and efficient recovery and recycling schemes.
Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization
Authors: Xing Tian , Prior Timothy J. , Elsegood Mark R. J. , Semikolenova Nina V. , Soshnikov Igor E. , Bryliakov Konstantin , Chen Kai , Redshaw Carl
Published: November 2020

Oxacalix[6]arene vanadium complexes have been employed for the ROP of cyclic esters and ethylene polymerization.
Structural characteristic of a sulfated polysaccharide from Gracilaria Lemaneiformis and its lipid metabolism regulation effect
Authors: Li Xiong , Huang Shiming , Chen Xi , Xu Qijun , Ma Yongxuan , You Lijun , Kulikouskaya Viktoryia , Xiao Jianbo , Piao Jinhua
Published: November 2020

A sulfated polysaccharide extracted from Gracilaria lemaneiformis with a prominent effect in regulating lipid metabolism was isolated and characterized.
Cyclohexene esterification–hydrogenation for efficient production of cyclohexanol
Authors: Zhu Yunfeng , Gao Liang , Wen Langyou , Zong Baoning , Wang Hao , Qiao Minghua
Published: November 2020

A novel cyclohexene esterification–hydrogenation process for green and efficient production of cyclohexanol is proposed and successfully demonstrated.
Solvent selection for biphasic extraction of 5-hydroxymethylfurfural via multiscale modeling and experiments
Authors: Wang Zhaoxing , Bhattacharyya Souryadeep , Vlachos Dionisios G.
Published: November 2020

We report a comprehensive solvent selection framework where the COSMO-RS model is combined with high-throughput experiments at 298 and 423 K to formulate an extractant library for the reactive extraction of 5-hydroxymethylfurfural (HMF).
Tumor-on-a-chip platforms to study cancer–immune system crosstalk in the era of immunotherapy
Authors: Parlato Stefania , Grisanti Giulia , Sinibaldi Giorgia , Peruzzi Giovanna , Casciola Carlo Massimo , Gabriele Lucia
Published: November 2020

Immunotherapy is a powerful therapeutic approach able to re-educate the immune system to fight cancer. In this scenario, tumor-on-chip can help to choose the right immunotherapeutic treatment.
Programmable chiral states in flocks of active magnetic rollers
Authors: Han Koohee , Snezhko Alexey
Published: November 2020

The collective chiral state of flocking magnetic rollers can be programmed via phase shifts of the energizing magnetic field.
A high-throughput multiplexed microfluidic device for COVID-19 serology assays
Authors: Rodriguez-Moncayo Roberto , Cedillo-Alcantar Diana F. , Guevara-Pantoja Pablo E. , Chavez-Pineda Oriana G. , Hernandez-Ortiz Jose A. , Amador-Hernandez Josue U. , Rojas-Velasco Gustavo , Sanchez-Muñoz Fausto , Manzur-Sandoval Daniel , Patino-Lopez Luis D. , May-Arrioja Daniel A. , Posadas-Sanchez Rosalinda , Vargas-Alarcon Gilberto , Garcia-Cordero Jose L.
Published: November 2020

A microfluidic device to quantitate antibody reactivities to SARS-CoV-2 antigens: spike protein, RDB, S1 subunit, and nucleocapsid, from 50 serum samples.
Carbon nanotube columns for flow systems: influence of synthesis parameters
Authors: Quinson Jonathan , Bottein Thomas , Dillon Frank , Meysami Seyyed Shayan , Grobert Nicole
Published: November 2020

Carbon nanotube columns are ideal simple scaffolds to develop various flow systems.
Superior supercapacitive performance of Cu2MnSnS4 asymmetric devices
Authors: Isacfranklin M. , Yuvakkumar R. , Ravi G. , Velauthapillai Dhayalan , Pannipara Mehboobali , Al-Sehemi Abdullah G.
Published: November 2020

Renewable energy sources are considered the cornerstone of achieving a sustainable future for today's modern world.
Transformation of hollow ZnFe-ZIF-8 nanocrystals into hollow ZnFe–N/C electrocatalysts for the oxygen reduction reaction
Authors: Yu Pengyao , Liu Sheng , Cui Yuchen , Sun Kun , Zhang Ling , Guo Hailing , Chai Yongming , Liu Chenguang , Fan Lili , Yang Ge , Wang Chunzheng , Mintova Svetlana
Published: November 2020

A novel approach for the preparation of a highly active hollow ZnFe–N/C electrocatalyst for the ORR in an alkaline electrolyte was reported.
The hole transporting behaviour of Cu2AgInS4 and Cu2AgInSe4 for a carbon electrode-based perovskite solar cell
Authors: Panneerselvam Pratheep , Angaiah Subramania
Published: November 2020

In this work, quaternary Cu2AgInS4 (CAIS) and Cu2AgInSe4 (CAISe) nanoparticles (NPs) were synthesised by a simple hot injection method and their photovoltaic behaviour were studied in detail for PSC.
A square-pyramidal coordinated copper(ii) hydrazine dimeric complex showing reversible phase transition, dielectric anomaly and thermochromism
Authors: Ke Shanxue , Li Mingli , Rao Wenjun , Wei Zhenhong , Cai Hu
Published: November 2020

A square-pyramidal coordinated copper(ii) hydrazine dimeric complex was prepared by reaction of CuCl2 with trimethyl hydrazine showing reversible phase transition, dielectric anomaly and thermochromism.
Fabrication of porous ultrathin carbon nitride nanosheet catalysts with enhanced photocatalytic activity for N- and O-heterocyclic compound synthesis
Authors: Li Yancong , Ma Jiliang , Liu Zhendong , Jin Dongnv , Jiao Gaojie , Guo Yanzhu , Wang Qiang , Zhou Jinghui , Sun Runcang
Published: November 2020

A simple and efficient photocatalytic method for the synthesis of N- and O-heterocyclic compoundviaporous ultrathin carbon nitride nanosheets (p-CNNs) was demonstrated.
Exciting clusters, what does off-resonance actually mean?
Authors: Yousefalizadeh Goonay , Ahmadi Shideh , Mosey Nicholas J. , Stamplecoskie Kevin G.
Published: November 2020

Noble metal clusters have unique photophysical properties, especially as a new class of materials for multiphoton biomedical imaging.
Recent advances in using 4DPAIPN in photocatalytic transformations
Authors: Singh Praveen P. , Srivastava Vishal
Published: November 2020

1,3-Dicyano-2,4,5,6-tetrakis(diphenylamino)-benzene has emerged as a powerful and attractive metal-free organophotocatalyst for organic transformation and is expected to contribute to a great extent toward the advancement and development of synthetic methodologies.
Cyclobutene based macrocycles
Authors: Wang Pan , Lu Ruqiang , France-Lanord Arthur , Wang Yanming , Zhou Jingjing , Grossman Jeffrey C. , Swager Timothy M.
Published: November 2020

Nanoscopic macrocycles could have unusual magnetic, optical, and electronic properties when compared to their linear counterparts.
State-of-the-art palladium-catalyzed alkoxycarbonylations
Authors: Sang Rui , Hu Yuya , Razzaq Rauf , Jackstell Ralf , Franke Robert , Beller Matthias
Published: November 2020

State-of-the-art Pd-catalyzed alkoxycarbonylation: catalyst development and applications.
O2-Mediated transformation of 9-phenanthrenol: an approach to the synthesis of phenanthrenyl ketal and 9-fluorenones
Authors: Wang Dongwei , Shi Zuosen , Zhang Xueyou , Cui Zhanchen , Wang Qifeng
Published: November 2020

We report the first example for O2-mediated oxidation of 9-phenanthrenol to phenanthrenyl ketal under basic conditions, followed by transformation to 9-fluorenones.
The potential role of the 5,6-dihydropyridin-2(1H)-one unit of piperlongumine on the anticancer activity
Authors: Mu Wen-Wen , Li Peng-Xiao , Liu Yue , Yang Jie , Liu Guo-Yun
Published: November 2020

Piperlongumine (PL) could induce A549 cells apoptosis through ROS-mediated pathway and the 5,6-dihydropyridin-2-(1H)-one unit is crucial for its anticancer activity.
Ligand design by targeting a binding site water
Authors: Matricon Pierre , Suresh R. Rama , Gao Zhan-Guo , Panel Nicolas , Jacobson Kenneth A. , Carlsson Jens
Published: November 2020

Solvent reorganization is a major driving force of protein–ligand association, but the contribution of binding site waters to ligand affinity is poorly understood.
Lipase mimetic cyclodextrins
Authors: Lee Youngjun , Devaraj Neal K.
Published: November 2020

Lipase mimetic cyclodextrins (CDs) can selectively hydrolyze native lyso-glycerophospholipids (GPLs) under physiologically relevant conditions.
Long-range ordered TiO2/Au hollow urchins: topology control for maskless electrodeposition
Authors: Kandjani Ahmad Esmaielzadeh , Sabri Ylias M. , Coyle Victoria E. , Harrison Christopher J. , Korcoban Dilek , Canjeevaram Balasubramanyam Ram Kumar , Jones Lathe A. , Field Matthew R. , Bhargava Suresh K.
Published: November 2020

We present a novel approach for fabricating multicomponent ordered nanostructures using colloidal lithography and electrodeposition techniques, enabling maskless, targeted and uniform material deposition.
C-, N-Vacancy defect engineered polymeric carbon nitride towards photocatalysis: viewpoints and challenges
Authors: Kumar Abhinandan , Raizada Pankaj , Hosseini-Bandegharaei Ahmad , Thakur Vijay Kumar , Nguyen Van-Huy , Singh Pardeep
Published: November 2020

As an alluring metal-free polymeric semiconductor material, graphite-like carbon nitride (g-C3N4; abbreviated as GCN) has triggered a new impetus in the field of photocatalysis, mainly favoured from its fascinating physicochemical and photoelectronic structural features.
Recent progress on the phase modulation of molybdenum disulphide/diselenide and their applications in electrocatalysis
Authors: Li Yahao , Zhang Yan , Tong Xili , Wang Xiuli , Zhang Lingjie , Xia Xinhui , Tu Jiangping
Published: November 2020

Novel advances in the phase modulation of 1T–MoX2(X = S and Se) and their electrocatalytic applications are summarized. The remaining challenges are highlighted and some insights into the design of innovative MoX2electrocatalysts are also provided.
Role of a high calcium ion content in extending the properties of alginate dual-crosslinked hydrogels
Authors: Zhang Xiaojin , Wang Kang , Hu Jiayuan , Zhang Yuchen , Dai Yu , Xia Fan
Published: November 2020

Dual-crosslinked alginate hydrogels with a high Ca2+ content were successfully prepared, which extended their properties, and showed potential application as a skin strain sensor.
A novel surface-enhanced Raman scattering probe based on Au nanoboxes for dynamic monitoring of caspase-3 during cervical cancer cell apoptosis
Authors: Sun Yue , Wang Youwei , Lu Wenbo , Liu Chang , Ge Shengjie , Zhou Xinyu , Bi Caili , Cao Xiaowei
Published: November 2020

The highly sensitive and reliable detection, imaging, and monitoring of changes of intracellular caspase-3 are critical for understanding the cell apoptosis and studying the progression of caspase-3-related cervical cancer.
Dual-enzymatically cross-linked gelatin hydrogel enhances neural differentiation of human umbilical cord mesenchymal stem cells and functional recovery in experimental murine spinal cord injury
Authors: Yao Minghao , Li Jinrui , Zhang Junni , Ma Shanshan , Wang Luyu , Gao Feng , Guan Fangxia
Published: November 2020

A dual-enzymatically cross-linked gelatin hydrogel is proposed to undergo direct neuronal differentiation of hUC-MSCs for promoting regeneration of spinal cord injury mice.
Enhancement of phase stability and optoelectronic performance of BiFeO3thin filmsviacation co-substitution
Authors: Machado Pamela , Caño Ivan , Menéndez César , Cazorla Claudio , Tan Huan , Fina Ignasi , Campoy-Quiles Mariano , Escudero Carlos , Tallarida Massimo , Coll Mariona
Published: November 2020

Compositional engineering of BiFeO3can significantly boost its optoelectronic properties.
Association of the hOGG1 Ser326Cys polymorphism with gynecologic cancer susceptibility: a meta-analysis
Authors: Shi Yongzhong , Xu Wei , Zhang Xia
Published: November 2020

The association between the hOGG1 Ser326Cys polymorphism and gynecologic cancer susceptibility is inconclusive. We performed a comprehensive meta-analysis to precisely estimate of the impact of the hOGG1 Ser326Cys polymorphism on gynecologic cancer susceptibility. Electronic databases including PubMed, Embase, WanFang, and the China National Knowledge Infrastructure were searched for relevant studies. Odds ratios (ORs) with corresponding 95% confidence intervals (CIs) were determined to assess the strength of the association. Fourteen studies with 2712 cases and 3638 controls were included in the final meta-analysis. The pooled analysis yielded a significant association between the hOGG1 Ser326Cys polymorphism and overall gynecologic cancer susceptibility (dominant model: OR = 1.16, 95% CI = 1.03–1.30, P=0.017). A significantly higher gynecologic cancer risk was found for the European population (homozygous model: OR = 2.17, 95% CI = 1.80–2.61, P<0.001; recessive model: OR = 2.11, 95% CI = 1.41–3.17, P<0.001; dominant model: OR = 1.29, 95% CI = 1.12–1.48, P<0.001; and allele model: OR = 1.40, 95% CI = 1.13–1.74, P=0.002), but not in the Asian population. The stratified analysis by cancer type revealed endometrial cancer was significantly associated with the hOGG1 Ser326Cys polymorphism (dominant model: OR = 1.29, 95% CI = 1.09–1.54, P=0.003; and allele model: OR = 1.28, 95% CI = 1.02–1.60, P=0.031). In conclusion, the hOGG1 Ser326Cys polymorphism was associated with higher overall gynecologic cancer susceptibility, especially for endometrial cancer in the European population.
A novel fast power swing blocking strategy for distance relay based on ADALINE and moving window averaging technique
Authors: Jannati Mohsen , Mohammadi Mohammad
Published: November 2020

This study proposes a a novel efficient strategy for identifying symmetrical faults from power swings in order to improve the performance of distance relay. This method is based on two new indices and the use of adaptive linear neuron and moving window averaging technique, which is applied to the waveforms of the current. If the proposed algorithm detects power swings, it enables power swing blocking; and if it recognises the occurrence as a symmetrical fault, it resets the power swing blocking as quickly as possible. The efficiency of the proposed method has been tested in different conditions and compared to other methods from different points of view. Simulation results under different conditions in PSCAD and MATLAB software show that the proposed strategy is able to detect symmetrical faults from power swings with high accuracy. The high robustness of adaptive linear neuron and the moving window averaging technique has made the proposed method highly noise‐resistant; and also, because of its low computational cost, the response speed of the proposed strategy is very high, and hence its practical implementation is simple.
Data‐driven discovery of a clinical route for severity detection of COVID‐19 paediatric cases
Authors: Yu Hui , Guo Yuqi , Xiang Yun , Sun Chuan , Yang Tao
Published: November 2020

In this retrospective COVID‐19 study on 105 infected children admitted to Wuhan Children's Hospital, we have revealed two biomarkers (DBIL and ALT) to promptly screen out the severe ones from all the cases with the assistance of a proposed supervised decision‐tree classifier. This clinical route achieves a 100% F1‐score in the present investigation, which can be expected to facilitate early diagnosis and intervention for pediatric COVID‐19 case
Manuelle Mobilisation großflächiger Brandnarben
Authors: Koller Thomas
Published: November 2020

Die Narbenbehandlung ist ein besonderer Schwerpunkt in der Therapie von Patienten mit Brandverletzungen. Mobilisationstechniken und Dosierung basieren auf Kenntnissen der Gewebephysiologie, Wundheilungsphasen sowie empirischem klinischem Wissen. Für eine adäquate Narbentherapie bedarf es einer stetigen taktilen Kontrolle des Gewebezustands vor und während der manuellen Intervention.
Giant unilamellar vesicle formation technique allows study of membrane-bound biological systems
Authors: Bandari Anashe
Published: November 2020

An improved method for creating giant vesicles helps to mimic confinement within cell-like compartments.
Covering the pros and cons of coating implants with nanoparticles to prevent infection
Authors: Patrick Chris
Published: November 2020

A review discusses potential issues and advantages of using antimicrobial nanoparticle coatings to prevent infections associated with medical implants.
Structural anomalies in brain networks induce dynamical pacemaker effects
Authors: Koulierakis I. , Verganelakis D. A. , Omelchenko I. , Zakharova A. , Schöll E. , Provata A.
Published: November 2020

Dynamical effects on healthy brains and brains affected by tumor are investigated via numerical simulations. The brains are modeled as multilayer networks consisting of neuronal oscillators whose connectivities are extracted from Magnetic Resonance Imaging (MRI) data. The numerical results demonstrate that the healthy brain presents chimera-like states where regions with high white matter concentrations in the direction connecting the two hemispheres act as the coherent domain, while the rest of the brain presents incoherent oscillations. To the contrary, in brains with destructed structures, traveling waves are produced initiated at the region where the tumor is located. These areas act as the pacemaker of the waves sweeping across the brain. The numerical simulations are performed using two neuronal models: (a) the FitzHugh–Nagumo model and (b) the leaky integrate-and-fire model. Both models give consistent results regarding the chimera-like oscillations in healthy brains and the pacemaker effect in the tumorous brains. These results are considered a starting point for further investigation in the detection of tumors with small sizes before becoming discernible on MRI recordings as well as in tumor development and evolution.
A novel method to measure ion density in ICF experiments using x-ray spectroscopy of cylindrical tracers
Authors: Pérez-Callejo G. , Barrios M. A. , Liedahl D. A. , Schneider M. B. , Jones O. , Landen O. , Kauffman R. L. , Suter L. J. , Moody J. D. , Rose S. J. , Wark J. S.
Published: November 2020

The indirect drive approach to inertial confinement fusion has undergone important advances in the past few years. Improvements in temperature and density diagnostic methods are leading to more accurate measurements of the plasma conditions inside the Hohlraum and therefore to more efficient experimental designs. The implementation of dot spectroscopy has proven to be a versatile approach to extracting space- and time-dependent electron temperatures. In this method, a microdot of a mid-Z material is placed inside the Hohlraum and its K-shell emission spectrum is used to determine the plasma temperature. However, radiation transport of optically thick lines acting within the cylindrical dot geometry influences the outgoing spectral distribution in a manner that depends on the viewing angle. This angular dependence has recently been studied in the high energy density regime at the OMEGA laser facility, which allowed us to design and benchmark appropriate radiative transfer models that can replicate these geometric effects. By combining these models with the measurements from the dot spectroscopy experiments at the National Ignition Facility, we demonstrate here a novel technique that exploits the transport effects to obtain time-resolved measurements of the ion density of the tracer dots, without the need for additional diagnostics. We find excellent agreement between experiment and simulation, opening the possibility of using these geometric effects as a density diagnostic in future experiments.
Single electron transistor based nanosensor for DNA and RNA detection
Authors: Mishra S. , Rani S. , Ray S. J.
Published: November 2020

Detection and sequencing of DNA and RNA nucleobases are of immense usefulness for next-generation medical diagnostics and forensic investigation. In this work, we have proposed a novel single electron transistor (SET) based detection methodology, exploring the detection sensitivity, temperature range of operation, etc. Extensive first-principle based calculations were used to investigate the operation, electrostatics, and quantum transport behavior of the SETs in single and double-gated structures over a wide range of source–drain bias (Vd) and gate voltage (Vg). It was observed that the double-gated SET offers better electrostatic control and energy efficient operation compared to the single gated SET. Various line scans taken from the charge stability diagrams are labeled to the presence of individual nucleobases as demonstrated in the normalized differential conductance behavior. The present method offers label free biosensing and nanoelectronic sensor design in an energy efficient architecture, which can be used for other biological applications as well.
Interface and layer periodicity effects on the thermal conductivity of copper-based nanomultilayers with tungsten, tantalum, and tantalum nitride diffusion barriers
Authors: Cancellieri Claudia , Scott Ethan A. , Braun Jeffrey , King Sean W. , Oviedo Ron , Jezewski Christopher , Richards John , La Mattina Fabio , Jeurgens Lars P. H. , Hopkins Patrick E.
Published: November 2020

Nanomultilayers are complex architectures of materials stacked in sequence with layer thicknesses in the nanometer range. Their application in microelectronics is challenged by their thermal stability, conductivity, and interface reactivity, which can compromise their performance and usability. By using different materials as thermal barriers and by changing their thickness, it is possible to manipulate interfacial effects on thermal transport. In this work, we report on the thermal conductivity of Cu/W, Cu/Ta, and Cu/TaN sputter deposited nanomultilayers with different thicknesses. The resistive interfacial effects are rationalized and discussed also in relation to the structural transformation into a nano-composite upon high-temperature annealing.
Enhanced sensitivity of the nitrogen-vacancy ensemble magnetometer via surface coating
Authors: Yu Huiyao , Xie Yijin , Zhu Yunbin , Rong Xing , Du Jiangfeng
Published: November 2020

Magnetometers based on nitrogen-vacancy center ensembles in diamond have received considerable attention in recent years. However, their sensitivities are limited by low fluorescence collection efficiencies. With the introduction of some schemes, collection efficiencies of NV ensembles have been improved, but further improvement is still needed. In this Letter, we propose and demonstrate a fluorescence enhancing technique of reflective coating. By applying this technique, collection efficiencies already improved by other schemes will be further enhanced. With the assistance of a 100-nm-thick gold reflective film on the diamond surface, the fluorescence collection efficiency of an NV ensemble continuous-wave magnetometer utilizing a compound parabolic concentrator was further increased by 92%, and a magnetic field sensitivity of 164 pT/Hz at 0.99 to 77.98 Hz was achieved.
Reaction–diffusion fronts and the butterfly set
Authors: Cisternas Jaime , Rohe Kevin , Wehner Stefan
Published: November 2020

A single-species reaction–diffusion model is used for studying the coexistence of multiple stable steady states. In these systems, one can define a potential-like functional that contains the stability properties of the states, and the essentials of the motion of wave fronts in one- and two-dimensional space. Using a quintic polynomial for the reaction term and taking advantage of the well-known butterfly bifurcation, we analyze the different scenarios involving the competition of two and three stable steady states, based on equipotential curves and points in parameter space. The predicted behaviors, including a front splitting instability, are contrasted to numerical integrations of reaction fronts in two dimensions.
Neutral flow interaction with a magnetic dipole plasma II. Global model
Authors: Kelly Charles L. , Little Justin M.
Published: November 2020

A simulation study is presented for a collisional, low-temperature dipole plasma encountered by rarefied, hypersonic neutral gas flow. A global model is developed and averaged over a toroidal control volume to describe the mass and energy exchange between the neutral stream and plasma. Simulations over a large range of magnet and freestream parameters reveal three distinct physical regimes that have significant bearing on the magnitude of plasma/flow interaction. The transitions between these regimes exhibit characteristics of resistive critical ionization, whereby the relative kinetic energy between plasma and neutral gas collisionally heats electrons, driving rapid and complete ionization of the gas. Two regime transitions are observed here with sudden exponential increases in plasma density occurring at velocity thresholds that depend on several energy loss mechanisms. The higher-velocity transition is a classical presentation of critical ionization where flow neutrals are ionized directly by plasma electrons. The other is a unique case in which charge exchange between ions and flow neutrals supplies both the particles and energy required to initiate critical ionization. This transition is distinct from any critical ionization effect reported in literature and indicates the existence of a lower critical velocity governed by collisional and diffusive effects as opposed to ionization energy losses only. Drag force on the magnetic field is considered by examining absorption and deflection of ionized flow by the dipole. The critical ionization thresholds increase the force on the magnet by up to two orders of magnitude compared to aerodynamic drag on an equivalently sized flow impediment.
High-efficiency switching effect and negative differential conductance in cyclo[18]carbon–graphene nanoribbon junction
Authors: Xu Yuehua , Wu Wenjun
Published: November 2020

The cyclo[18]carbon was synthesized experimentally for the first time in August 2019 [K. Kaiser et al., Science 365, 1299 (2019)]. The semiconductor property of the cyclo[18]carbon makes it possible to become an essential element of molecular electronic devices. In our work, the electron transport properties of zigzag graphene nanoribbon cyclo[18]carbon-zigzag graphene nanoribbon junction [(8-ZGNR)-C18-(8-ZGNR)] were studied, using the non-equilibrium Green’s function approach based on the density functional theory. The coplanar and perpendicular configuration constitutes the current ON and OFF state, respectively, with the high ON/OFF ratio approaching to 104. A significant negative differential conductance (NDC) with a peak-to-valley ratio of 1.5 in the bias range of 0.3 V–0.4 V was found. The NDC arises due to the resonance of the edge state of ZGNRs and the frontier orbitals of C18 within the bias window. Moreover, the high current ON/OFF ratio and NDC are robust against variations in the lead’s width, length of short-carbon chain, and the bridging way of C18 on leads. Specifically, the Ipeak/Ivalley of the coplanar configuration with the C5 spacer can increase to 5.7 in the bias range of 0.4 V–0.5 V. Our computational studies may guide design of multi-functional molecular devices based on C18.