bluuebunny/crossref_metadata_2025 huggingface dataset:
Positive symptom phenotypes appear progressively in “EDiPS”, a new animal model of the schizophrenia prodrome
Authors: Petty Alice , Cui Xiaoying , Ali Asad , Du Zilong , Srivastav Sunil , Kesby James P. , Kirik Deniz , Howes Oliver , Eyles Darryl
Published: February 2021

An increase in dopamine (DA) synthesis capacity in the dorsal striatum (DS) during the prodromal stage of schizophrenia becomes more pronounced as patients progress to the full disorder. Understanding this progression is critical to intervening in disease course. We developed an animal model—Enhanced Dopamine in Prodromal Schizophrenia (EDiPS)—which uses a genetic construct to increase DA synthesis capacity in the DS of male rats. We assessed pre-pulse inhibition (PPI) and amphetamine (AMPH)-induced locomotion (0.6 mg/kg) in EDiPS animals longitudinally after post-natal day 35 (when the EDiPS construct is administered). We also assessed their response to repeated acute restraint stress. In adult EDiPS animals, we measured baseline and evoked extracellular DA levels, and their stereotyped responses to 5 mg/kg AMPH. AMPH-induced hyperlocomotion was apparent in EDiPS animals 6-weeks after construct administration. There was an overall PPI deficit in EDiPS animals across all timepoints, however the stress response of EDiPS animals was unaltered. Adult EDiPS animals show normal baseline and potassium-evoked DA release in the DS. These findings suggest that key behavioural phenotypes in EDiPS animals show a progressive onset, similar to that demonstrated by patients as they transition to schizophrenia. The EDiPS model could therefore be used to investigate the molecular mechanisms underlying the prodrome of schizophrenia.
Modeling COVID-19 epidemics in an Excel spreadsheet to enable first-hand accurate predictions of the pandemic evolution in urban areas
Authors: Alvarez Mario Moisés , González-González Everardo , Trujillo-de Santiago Grissel
Published: February 2021

COVID-19, the first pandemic of this decade and the second in less than 15 years, has harshly taught us that viral diseases do not recognize boundaries; however, they truly do discriminate between aggressive and mediocre containment responses. We present a simple epidemiological model that is amenable to implementation in Excel spreadsheets and sufficiently accurate to reproduce observed data on the evolution of the COVID-19 pandemics in different regions [i.e., New York City (NYC), South Korea, Mexico City]. We show that the model can be adapted to closely follow the evolution of COVID-19 in any large city by simply adjusting parameters related to demographic conditions and aggressiveness of the response from a society/government to epidemics. Moreover, we show that this simple epidemiological simulator can be used to assess the efficacy of the response of a government/society to an outbreak. The simplicity and accuracy of this model will greatly contribute to democratizing the availability of knowledge in societies regarding the extent of an epidemic event and the efficacy of a governmental response.
Digital PCR for high sensitivity viral detection in false-negative SARS-CoV-2 patients
Authors: Poggio Paolo , Songia Paola , Vavassori Chiara , Ricci Veronica , Banfi Cristina , Barbieri Silvia Stella , Garoffolo Gloria , Myasoedova Veronika A. , Piacentini Luca , Raucci Angela , Scopece Alessandro , Sommariva Elena , Vinci Maria Cristina , Carcione Davide , Biondi Maria Luisa , Mancini Maria Elisabetta , Formenti Alberto , Andreini Daniele , Assanelli Emilio M. , Agostoni Piergiuseppe , Camera Marina , Colombo Gualtiero I. , Pesce Maurizio
Published: February 2021

Patients requiring diagnostic testing for coronavirus disease 2019 (COVID-19) are routinely assessed by reverse-transcription quantitative polymerase chain reaction (RT-qPCR) amplification of Sars-CoV-2 virus RNA extracted from oro/nasopharyngeal swabs. Despite the good specificity of the assays certified for SARS-CoV-2 molecular detection, and a theoretical sensitivity of few viral gene copies per reaction, a relatively high rate of false negatives continues to be reported. This is an important challenge in the management of patients on hospital admission and for correct monitoring of the infectivity after the acute phase. In the present report, we show that the use of digital PCR, a high sensitivity method to detect low amplicon numbers, allowed us to correctly detecting infection in swab material in a significant number of false negatives. We show that the implementation of digital PCR methods in the diagnostic assessment of COVID-19 could resolve, at least in part, this timely issue.
Contribution of Vouacapoua americana fruit-fall to the release of biomass in a lowland Amazon forest
Authors: Chuma Victor Juan Ulises Rodriguez , Norris Darren
Published: February 2021

Fruit-fall provides the transfer of biomass and nutrients between forest strata and remains a poorly understood component of Amazon forest systems. Here we detail fruit-fall patterns including those of Vouacapoua americana a Critically Endangered timber species across 25 km2 of lowland Amazon forest in 2016. We use multi-model comparisons and an ensemble model to explain and interpolate fruit-fall data collected in 90 plots (totaling 4.42 ha). By comparing patterns in relation to observed and remotely sensed biomass estimates we establish the seasonal contribution of V. americana fruit-fall biomass. Overall fruit-fall biomass was 44.84 kg ha−1 month−1 from an average of 44.55 species per hectare, with V. americana dominating both the number and biomass of fallen fruits (43% and 64%, number and biomass respectively). Spatially explicit interpolations provided an estimate of 114 Mg dry biomass of V. americana fruit-fall across the 25 km2 area. This quantity represents the rapid transfer by a single species of between 0.01 and 0.02% of the overall above ground standing biomass in the area. These findings support calls for a more detailed understanding of the contribution of individual species to carbon and nutrient flows in tropical forest systems needed to evaluate the impacts of population declines predicted from short (< 65 year) logging cycles.
Click-correlative light and electron microscopy (click-AT-CLEM) for imaging and tracking azido-functionalized sphingolipids in bacteria
Authors: Peters Simon , Kaiser Lena , Fink Julian , Schumacher Fabian , Perschin Veronika , Schlegel Jan , Sauer Markus , Stigloher Christian , Kleuser Burkhard , Seibel Jürgen , Schubert-Unkmeir Alexandra
Published: February 2021

Sphingolipids, including ceramides, are a diverse group of structurally related lipids composed of a sphingoid base backbone coupled to a fatty acid side chain and modified terminal hydroxyl group. Recently, it has been shown that sphingolipids show antimicrobial activity against a broad range of pathogenic microorganisms. The antimicrobial mechanism, however, remains so far elusive. Here, we introduce ‘click-AT-CLEM’, a labeling technique for correlated light and electron microscopy (CLEM) based on the super-resolution array tomography (srAT) approach and bio-orthogonal click chemistry for imaging of azido-tagged sphingolipids to directly visualize their interaction with the model Gram-negative bacterium Neisseria meningitidis at subcellular level. We observed ultrastructural damage of bacteria and disruption of the bacterial outer membrane induced by two azido-modified sphingolipids by scanning electron microscopy and transmission electron microscopy. Click-AT-CLEM imaging and mass spectrometry clearly revealed efficient incorporation of azido-tagged sphingolipids into the outer membrane of Gram-negative bacteria as underlying cause of their antimicrobial activity.
Broadband optical spin dependent reflection in self-assembled GaAs-based nanowires asymmetrically hybridized with Au
Authors: Petronijevic Emilija , Belardini Alessandro , Leahu Grigore , Hakkarainen Teemu , Piton Marcelo Rizzo , Koivusalo Eero , Sibilia Concita
Published: February 2021

Hybridization of semiconductor nanostructures with asymmetric metallic layers offers new paths to circular polarization control and chiral properties. Here we study, both experimentally and numerically, chiral properties of GaAs-based nanowires (NWs) which have two out of six sidewalls covered by Au. Sparse ensembles of vertical, free-standing NWs were fabricated by means of lithography-free self-assembled technique on Si substrates and subsequently covered by Au using tilted evaporation. We report on optical spin-dependent specular reflection in the 680–1000 nm spectral range when the orientation of the golden layers follows the rule of extrinsic chirality. The analysis shows reflection peaks of the chiral medium whose intensity is dependent on the light handedness. We further propose a novel, time-efficient numerical method that enables a better insight into the far-field intensity and distribution of the scattered light from a sparse NW ensembles. The measurements done on three different samples in various orientations show good agreement with theoretical predictions over a broad wavelength range.
Retraction Note: Large-Area Semiconducting Graphene Nanomesh Tailored by Interferometric Lithography
Authors: Kazemi Alireza , He Xiang , Alaie Seyedhamidreza , Ghasemi Javad , Dawson Noel Mayur , Cavallo Francesca , Habteyes Terefe G. , Brueck Steven R. J. , Krishna Sanjay
Published: February 2021

Editor's Note: this Article has been retracted; the Retraction Note is available at https://doi.org/10.1038/s41598-021-84101-3.
Annotation of chromatin states in 66 complete mouse epigenomes during development
Authors: van der Velde Arjan , Fan Kaili , Tsuji Junko , Moore Jill E. , Purcaro Michael J. , Pratt Henry E. , Weng Zhiping
Published: February 2021

The morphologically and functionally distinct cell types of a multicellular organism are maintained by their unique epigenomes and gene expression programs. Phase III of the ENCODE Project profiled 66 mouse epigenomes across twelve tissues at daily intervals from embryonic day 11.5 to birth. Applying the ChromHMM algorithm to these epigenomes, we annotated eighteen chromatin states with characteristics of promoters, enhancers, transcribed regions, repressed regions, and quiescent regions. Our integrative analyses delineate the tissue specificity and developmental trajectory of the loci in these chromatin states. Approximately 0.3% of each epigenome is assigned to a bivalent chromatin state, which harbors both active marks and the repressive mark H3K27me3. Highly evolutionarily conserved, these loci are enriched in silencers bound by polycomb repressive complex proteins, and the transcription start sites of their silenced target genes. This collection of chromatin state assignments provides a useful resource for studying mammalian development.
Long-term transients help explain regime shifts in consumer-renewable resource systems
Authors: Eppinga Maarten B. , Siteur Koen , Baudena Mara , Reader Martin O. , van ’t Veen Hanneke , Anderies John M. , Santos Maria J.
Published: February 2021

As planetary boundaries loom, there is an urgent need to develop sustainable equilibriums between societies and the resources they consume, thereby avoiding regime shifts to undesired states. Transient system trajectories to a stable state may differ substantially, posing significant challenges to distinguishing sustainable from unsustainable trajectories. We use stylized models to show how feedbacks between anthropogenic harvest regimes and resource availability drive transient dynamics. We show how substantial time lags may occur between interventions and social-ecological outcomes, and that sudden system collapses need not be linked to recent environmental changes. Historical reconstructions of island state populations show a variety of transient dynamics that closely corresponds to model expectations based on island differences in productivity and harvesting regime. We conclude that vulnerable social-ecological systems may persist when the population:resource ratio remains within a viable range of intermediate (rather than small) values, which implies that averting environmental crises may require counter-intuitive measures.
Crosslinker-modified nucleic acid probes for improved target identification and biomarker detection
Authors: Elskens Joke , Madder Annemieke
Published: February 2021

Crosslinker-modified nucleic acid probes are promising substitutes for regular oligonucleotide probes in hybridization-based assays, as they allow a more selective and efficient detection of nucleic acid targets and nucleic acid biomarkers.
Single site Fe on the (110) surface of γ-Al2O3: insights from a DFT study including the periodic boundary approach
Authors: Gu Jiande , Wang Jing , Leszczynski Jerzy
Published: February 2021

Examination of the stable (110) surface of γ-alumina reveals that there are three different types of sites available to host a single Fe atom.
Electronic and thermodynamic properties of native point defects in V2O5: a first-principles study
Authors: Ngamwongwan Lappawat , Fongkaew Ittipon , Jungthawan Sirichok , Hirunsit Pussana , Limpijumnong Sukit , Suthirakun Suwit
Published: February 2021

Dominant oxygen vacancies at synthesized conditions provide electron polarons as charge carriers in V2O5.
Surface modification of polyamide reverse osmosis membranes with small-molecule zwitterions for enhanced fouling resistance: a molecular simulation study
Authors: Gu Qi-an , Liu Lifen , Wang Yuling , Yu Chunyang
Published: February 2021

Surface modification with small-molecule zwitterions is experimentally proved to be an effective solution to improve the antifouling performance of polyamide membranes.
Thermodynamic driving forces of guest confinement in a photoswitchable cage
Authors: Juber Selina , Wingbermühle Sebastian , Nuernberger Patrick , Clever Guido H. , Schäfer Lars V.
Published: February 2021

Photoswitching the dithienylethene ligands in a palladium(ii)-based coordination cage modulates the free energy of guest binding.
Photophysical properties of N719 and Z907 dyes, benchmark sensitizers for dye-sensitized solar cells, at room and low temperature
Authors: Niedzwiedzki Dariusz M.
Published: February 2021

Photophysical properties of N719 and Z907, benchmark Ru-dyes used as sensitizers in dye-sensitized solar cells, were studied by static and time-resolved optical spectroscopy at room temperature and 160 K.
Dysregulation of G protein-coupled receptors in the intestine by nanoplastic exposure inCaenorhabditis elegans
Authors: Yang Yunhan , Wu Qiuli , Wang Dayong
Published: February 2021

GPCRs of PAQR-2 and FSHR-1 acted in the intestinal barrier to regulate nanoplastic toxicity by modulating the activities of some important molecular signaling pathways in nematodes.
Toward comprehension of the cytotoxicity of heterogeneous TiO2-based engineered nanoparticles: a nano-QSAR approach
Authors: Qi Ronghua , Pan Yong , Cao Jiakai , Yuan Beilei , Wang Yanjun , Jiang Juncheng
Published: February 2021

A nano-QSAR approach was proposed to develop prediction models for the cytotoxicity of heterogeneous nanoparticles by employing the improved SMILES-based optimal descriptors to describe nanostructures.
Microtechnology-enabled filtration-based liquid biopsy: challenges and practical considerations
Authors: Liu Yaoping , Xu Han , Li Tingyu , Wang Wei
Published: February 2021

This review summarizes the state-of-art microtechnology enabled filtration-based liquid biopsy, and addresses guidelines and perspectives for future filter designs and developments to promote application efficacy in clinical practices.
A polymer index-matched to water enables diverse applications in fluorescence microscopy
Authors: Han Xiaofei , Su Yijun , White Hamilton , O'Neill Kate M. , Morgan Nicole Y. , Christensen Ryan , Potarazu Deepika , Vishwasrao Harshad D. , Xu Stephen , Sun Yilun , Huang Shar-yin , Moyle Mark W. , Dai Qionghai , Pommier Yves , Giniger Edward , Albrecht Dirk R. , Probst Roland , Shroff Hari
Published: February 2021

Diffraction-limited and super-resolution imaging of biological samples using refractive-index matched polymers in microdevices.
Recent progress on wearable point-of-care devices for ocular systems
Authors: Shin Haein , Seo Hunkyu , Chung Won Gi , Joo Byung Jun , Jang Jiuk , Park Jang-Ung
Published: February 2021

Eyes have remarkable potential as biological sensing sites for various physical factors and biomarkers, which makes contact lens sensors a promising platform for a wearable point-of-care device for monitoring and diagnosis of diseases.
Achieving ultra-narrow bandgap non-halogenated non-fullerene acceptors via vinylene π-bridges for efficient organic solar cells
Authors: Hai Jiefeng , Luo Siwei , Yu Han , Chen Honggang , Lu Zhenhuan , Li Ling , Zou Yingping , Yan He
Published: February 2021

We report a series of NFAs (namely BTP-1V, BTP-2V, BTP-3V, and BTP-4V) by inserting vinylene π-bridges between the Y-series central fused core and non-halogenated end group IC.
Efficient strategy for interchangeable roles in a green and sustainable redox catalytic system: IL/PdII-decorated SBA-15 as a mesoporous nanocatalyst
Authors: Sadeghi Samira , Karimi Meghdad , Radfar Iman , Gavinehroudi Reza Ghahremani , Saberi Dariush , Heydari Akbar
Published: February 2021

Green synthesis of catalyst for the aerobic oxidation of alcohols using air as a green oxidant, and efficient and straightforward synthesis method for amine formation using formic acid as a green reductant.
Chemoselective hydrogenation of cinnamaldehyde over a tailored oxygen-vacancy-rich Pd@ZrO2 catalyst
Authors: Patil Komal N. , Prasad Divya , Bhanushali Jayesh T. , Kakade Bhalchandra , Jadhav Arvind H. , Nagaraja Bhari Mallanna
Published: February 2021

Selective hydrogenation of cinnamaldehyde to hydrocinnamaldehyde is captivating due to its industrial relevance.
Regulating the electronic properties of MoSe2 to improve its CO2 electrocatalytic reduction performance via atomic doping
Authors: Ye Jingjing , Rao Dewei , Yan Xiaohong
Published: February 2021

The atomic environment should heavily influence the performance of CO2 reduction, and the regulated electronic property of reaction intermediates and metals (Cu) is responsible for the high catalytic performance of CH4 production.
Information processing using an integrated DNA reaction network
Authors: Huang Dan , Han Huayi , Guo Chen , Lin Xiao , Chen Die , Yang Shu , Yang Qianfan , Li Feng
Published: February 2021

A DNA reaction network was reported in a stepwise manner, which can integrate sensing, translation, and decision-making operations in a single network.
Tacrine-sugar mimetic conjugates as enhanced cholinesterase inhibitors
Authors: Oliveira de Santana Quelli Larissa , Santos Evangelista Tereza C. , Imhof Petra , Ferreira Sabrina Baptista , Fernández-Bolaños José G. , Sydnes Magne O. , Lopéz Óscar , Lindbäck Emil
Published: February 2021

The potency of acetylcholinesterase inhibitors increases from the μM down to nM concentration range by increasing the length of the linker between the binding units.
Carbon-incorporated Fe3O4 nanoflakes: high-performance faradaic materials for hybrid capacitive deionization and supercapacitors
Authors: Chen Lei , Xu Xingtao , Wan Lijia , Zhu Guang , Li Yanjiang , Lu Ting , Albaqami Munirah D. , Pan Likun , Yamauchi Yusuke
Published: February 2021

Here, we introduce a new strategy using urea for the synthesis of carbon-incorporated 2D Fe3O4 (2D-Fe3O4/C) nanoflakes which show superior potential for hybrid capacitive deionization and supercapacitors.
Exploring molecular motors
Authors: Kistemaker Jos C. M. , Lubbe Anouk S. , Feringa Ben L.
Published: February 2021

The introduction of mechanical functions and controlled motion based on molecular motors and machines offers tremendous opportunities towards the design of dynamic molecular systems and responsive materials.
Computationally assisted multistage design and prediction driving the discovery of deep-ultraviolet nonlinear optical materials
Authors: Yang Zhihua , Pan Shilie
Published: February 2021

The property-driven materials multistage design process from analytical method development, functional groups, module to functional layer analysis and structural prediction is described to explore new deep-ultraviolet nonlinear optical materials.
Two-photon fluorescent probes for detecting the viscosity of lipid droplets and its application in living cells
Authors: Chen Huiying , Zhao Jianzhi , Lin Junzhi , Dong Baoli , Li Hui , Geng Bing , Yan Mei
Published: February 2021

A novel two-photon fluorescence probe (CIV) can detect the viscosity and locate lipid droplets in living cells.
Degradation of textile dyes from aqueous solution using tea-polyphenol/Fe loaded waste silk fabrics as Fenton-like catalysts
Authors: Mia Md Shipan , Yao Ping , Zhu Xiaowei , Lei Xue , Xing Tieling , Chen Guoqiang
Published: February 2021

In this study, waste silk fabrics were modified with tea-polyphenols then loaded with Fe2+ for degradation of dyes.
Balancing the anode and cathode using a reduced graphene binder for boosting both energy and power density of hybrid supercapacitors
Authors: Choi Ji-Hyuk , Kim Byung-su
Published: February 2021

A reduced graphene oxide binder enhances the faradaic reaction kinetics of a Li4Ti5O12 (anode) and the specific capacity of a porous activated carbon (cathode), resulting in properly balanced Li+-ion hybrid supercapacitors.
Fabrication of a superhydrophobic surface by modulating the morphology of organogels
Authors: Zhu Jianchen , Zhang Tianren , Liu Yajie , Lu Daoyi , Zhang Peng , Li Min , Wang Haitao , Wen Mao
Published: February 2021

A low-molecular weight organic gelator (LMOG) bearing a hydrazine linkage and end-capped by alkoxy-substituted phenyl, namely 1,4-bis[(3,4-bisoctyloxyphenyl)hydrozide]phenylene (BPH-8), was used to facilely fabricate superhydrophobic surfaces by the drop-casting method.
A rechargeable all-solid-state Li–CO2 battery using a Li1.5Al0.5Ge1.5(PO4)3 ceramic electrolyte and nanoscale RuO2 catalyst
Authors: Du Yuemin , Liu Yijie , Yang Sixie , Li Chao , Cheng Zhu , Qiu Feilong , He Ping , Zhou Haoshen
Published: February 2021

A rechargeable all-solid-state Li–CO2 battery using a RuO2 catalyst and LAGP solid-state electrolyte was demonstrated.
Injectable oligomer-cross-linked gelatine hydrogels via anhydride–amine-conjugation
Authors: Nawaz Hafiz Awais , Schröck Kathleen , Schmid Maximilian , Krieghoff Jan , Maqsood Iram , Kascholke Christian , Kohn-Polster Caroline , Schulz-Siegmund Michaela , Hacker Michael C.
Published: February 2021

Oligomer-cross-linked gelatine-based hydrogels are valuable tools for drug and cell delivery due to their extracellular matrix-like properties that can be adjusted by the composition of the oligomer and the degree of cross-linking.
The effect of electron-withdrawing substituents in asymmetric anthracene derivative semiconductors
Authors: Liu Si , Zheng Lei , Chen Mingxi , Sun Yajing , Wang Peng , Li Shuyu , Wu Hongnan , Zhang Xiaotao , Hu Wenping
Published: February 2021

Three anthracene derivatives were synthesized to reveal the effect of the electron-withdrawing substituents on structure and photoelectric properties, providing a possible strategy for controlling n-type anthracene derivative semiconductor.
H-Bonding and intramolecular catalysis of proton exchange affect the CEST properties of EuIII complexes with HP-DO3A-like ligands
Authors: Baroni Simona , Carnovale Irene Maria , Carrera Carla , Boccalon Mariangela , Guidolin Nicol , Demitri Nicola , Lattuada Luciano , Tedoldi Fabio , Baranyai Zsolt , Aime Silvio
Published: February 2021

CEST effects depend on the intramolecular proton exchange.
A fluorescence red-shift and turn-on sensor for acetylacetone derived from ZnII-based metal–organic framework with new topology
Authors: Li Le-Qian , Yao Shu-Li , Tian Xue-Mei , Zheng Teng-Fei , Li Jin-Yan , Liu Sui-Jun , Chen Jing-Lin , Yu Mei-Hui , Wen He-Rui
Published: February 2021

JXUST-4 with a rare (3,3,7)-c topology net has been prepared, acting as a fluorescent sensor for acac through obvious fluorescence red-shift and enhancement with excellent properties.
The catalytic decomposition of nitrous oxide and the NO + CO reaction over Ni/Cu dilute and single atom alloy surfaces: first-principles microkinetic modelling
Authors: Papanikolaou Konstantinos G. , Stamatakis Michail
Published: February 2021

Density functional theory calculations and microkinetic modelling reveal that well-engineered Ni/Cu dilute alloys are promising for the catalytic reduction of NO by CO.
Catalytic transformations of citral in a continuous flow over bifunctional Ru-MCM-41 extrudates
Authors: Vajglová Zuzana , Mäki-Arvela Päivi , Eränen Kari , Kumar Narendra , Peurla Markus , Murzin Dmitry Yu.
Published: February 2021

The three-step reaction of citral to menthol was investigated in an autoclave and a trickle-bed reactor over Ru-MCM-41 catalysts in powder and shaped forms, respectively, with the same composition and controlled metal location.
Synergistic remediation of PCB-contaminated soil with nanoparticulate zero-valent iron and alfalfa: targeted changes in the root metabolite-dependent microbial community
Authors: Wu Ting , Liu Yangzhi , Yang Kun , Zhu Lizhong , White Jason C. , Lin Daohui
Published: February 2021

This work provides a new strategy using nanomaterial-facilitated phytoremediation to promote the restoration of POP-contaminated soils.
Emerging investigator series: interacting effects of environmental factors on Daphnia magna removal of Escherichia coli from wastewater
Authors: Abtahi Seyyed M. H. , Aryal Ojaswi , Ismail Niveen S.
Published: February 2021

Zooplankton can significantly impact E. coli inactivation in wastewater, but inactivation rates are dependent on environmental conditions.
Complete conversion of lignocellulosic biomass to mixed organic acids and ethylene glycol via cascade steps
Authors: Pang Jifeng , Zhang Bo , Jiang Yu , Zhao Yu , Li Changzhi , Zheng Mingyuan , Zhang Tao
Published: February 2021

A cascade reaction strategy was used to convert lignin and hemicellulose into organic acids, and cellulose into ethylene glycol.
Aqueous chemoenzymatic one-pot enantioselective synthesis of tertiary α-aryl cycloketones via Pd-catalyzed C–C formation and enzymatic CC asymmetric hydrogenation
Authors: Luan Pengqian , Liu Yunting , Li Yongxing , Chen Ran , Huang Chen , Gao Jing , Hollmann Frank , Jiang Yanjun
Published: February 2021

Aqueous chemoenzymatic two-step one-pot enantioselective synthesis of tertiary α-aryl cycloketones via Pd-catalyzed C–C formation and enzymatic CC asymmetric hydrogenation was developed.
Synthesis of a light-harvesting ruthenium porphyrin complex substituted with BODIPY units. Implications for visible light-promoted catalytic oxidations
Authors: Malone Jonathan , Klaine Seth , Alcantar Christian , Bratcher Fox , Zhang Rui
Published: February 2021

A light-harvesting BODIPY–porphyrin ruthenium(ii) carbonyl complex has been synthesized and studied, exhibiting a remarkable light accelerating effect on catalytic oxidations.
Catalyst-free, visible-light-induced direct radical cross-coupling perfluoroalkylation of the imidazo[1,2-a]pyridines with perfluoroalkyl iodides
Authors: Huang Jinbo , Wu Dandan , Bai Xiaokang , Cai Panyuan , Zhu Wei-Guo
Published: February 2021

A mild and eco-friendly visible-light-induced direct radical cross-coupling perfluoroalkylation of the imidazo[1,2-a]pyridines with perfluoroalkyl iodides was established.
Metal-free multicomponent reactions: a benign access to monocyclic six-membered N-heterocycles
Authors: Preeti  , Singh Krishna Nand
Published: February 2021

The present review provides a comprehensive and updated summary of the metal-free multicomponent synthesis of biologically privileged monocyclic six membered N-heterocycles covered in the literature since 2000.
New hole transport styrene polymers bearing highly π-extended conjugated side-chain moieties for high-performance solution-processable thermally activated delayed fluorescence OLEDs
Authors: Lee Ji Hye , Hwang Jinhyo , Kim Chai Won , Harit Amit Kumar , Woo Han Young , Kim Hyung Jong , Kim Yong Woo , Choi Dae Hyuk , Cho Min Ju , Choi Dong Hoon
Published: February 2021

New polystyrene-based polymers with high π-extended hole transport pendants were synthesized to obtain a low turn-on voltage and high efficiency in solution-processed green TADF-OLEDs.
White light-emissive europium complexes and their versatile applications
Authors: Boddula Rajamouli , Tagare Jairam , Singh Kasturi , Vaidyanathan Sivakumar
Published: February 2021

Dual-emissive single-component white light-emissive Eu-complex-based luminogens were designed and synthesized for white LEDs as well as ratiometric temperature sensors.
Synthesis of enantioenriched α-heteroatom functionalised aldehydes by chiral organocatalysis and their synthetic applications
Authors: Chevis Philip J. , Pyne Stephen G.
Published: February 2021

Asymmetric organocatalysis is a versatile method for the enantioselective α-functionalisation of aldehydes. The synthetic scope for chiral α-heteroatom substituted aldehydes is examined including their applications in synthesis.
Regioselective C5-H direct iodination of indoles
Authors: Wang Zhao-Yang , Guo Rui-Li , Zhang Xing-Long , Wang Meng-Yue , Chen Gang-Ni , Wang Yong-Qiang
Published: February 2021

An efficient regioselective C5-H direct iodination of indoles is reported herein for the first time, which offers a general and practical access to the difficult C5 functionalization of indoles.
Faster palladium-catalyzed arylation of simple arenes in the presence of a methylketone: beneficial effect of an a priori interfering solvent in C–H activation
Authors: Salamanca Vanesa , Albéniz Ana C.
Published: February 2021

A methyl ketone accelerates the Pd-catalyzed C–H activation of simple arenes. A noninnocent solvent, it reacts in a reversible way without affecting the outcome of the reaction.
Ethylenedioxythiophene incorporated diketopyrrolopyrrole conjugated polymers for high-performance organic electrochemical transistors
Authors: Wang Naixiang , Xie Liuping , Ling Haifeng , Piradi Venkatesh , Li Li , Wang Xingzhu , Zhu Xunjin , Yan Feng
Published: February 2021

Diketopyrrolopyrrole-based conjugated polymers with ethylenedioxythiophene and glycolated side chains are used in organic electrochemical transistors, which demonstrate low threshold voltage, a high on/off ratio, high stability and fast response.
Adiponectin inhibits lipoplysaccharide-induced inflammation and promotes osteogenesis in hPDLCs
Authors: Wu Huan-huan , Guo Yuan , Pu Yin-fei , Tang Zhi-hui
Published: February 2021

Periodontal diseases are infections of the structures that surround and support the teeth; they are characterized by local inflammation and alveolar bone loss. Most treatments focus on only one aspect, inhibiting inflammation, or promoting osteoblasts. We set out to develop a new method that would intervene in the two aspects simultaneously. Adiponectin (APN), secreted by adipocytes, inhibits the inflammatory response and promotes osteogenesis. However, its role in human periodontal ligament cells (hPDLCs) is unclear. Therefore, we aim to investigate whether APN could suppress lipopolysaccharide (LPS)-induced inflammation and promote osteogenesis in hPDLCs. In the present study, we stimulated hPDLCs with LPS in the presence or absence of APN. Real-time PCR and Western blotting results demonstrated that APN partially inhibited the activation of the classical nuclear factor κ-B (NF-κB) pathway. These results were confirmed by a change of expressions of NF-κB downstream inflammatory genes, such as decreased cyclooxygenase (COX)-2 and tumor necrosis factor α (TNF-α), along with increased interleukin (IL)-10. As for the role of APN in osteogenesis, Alizarin Red S staining showed that APN treatment induced more calcium deposition nodules than controls. We also found that APN enhanced the expression of osteoblast-related genes (osteopontin (OPN), collagen 1, osteocalcin, alkaline phosphatase, runt-related transcription factor 2 (RUNX2), and bone morphogenetic protein 2) in hPDLCs via the APPL1 (the adaptor protein containing PH domain, PTB domain, and leucine zipper motif 1)/p38 signal transduction pathway. Therefore, APN inhibits LPS-induced inflammation and promotes osteogenesis in hPDLCs and may have potential therapeutic value in treating periodontitis by inhibiting the inflammatory lesions and contributing to bone tissue regeneration.
Keratan sulfate-based glycomimetics using Langerin as a target for COPD: lessons from studies on Fut8 and core fucose
Authors: Ohkawa Yuki , Harada Yoichiro , Taniguchi Naoyuki
Published: February 2021

Glycosylation represents one of the most abundant posttranslational modification of proteins. Glycosylation products are diverse and are regulated by the cooperative action of various glycosyltransferases, glycosidases, substrates thereof: nucleoside sugars and their transporters, and chaperons. In this article, we focus on a glycosyltransferase, α1,6-fucosyltransferase (Fut8) and its product, the core fucose structure on N-glycans, and summarize the potential protective functions of this structure against emphysema and chronic obstructive pulmonary disease (COPD). Studies of FUT8 and its enzymatic product, core fucose, are becoming an emerging area of interest in various fields of research including inflammation, cancer and therapeutics. This article discusses what we can learn from studies of Fut8 and core fucose by using knockout mice or in vitro studies that were conducted by our group as well as other groups. We also include a discussion of the potential protective functions of the keratan sulfate (KS) disaccharide, namely L4, against emphysema and COPD as a glycomimetic. Glycomimetics using glycan analogs is one of the more promising therapeutics that compensate for the usual therapeutic strategy that involves targeting the genome and the proteome. These typical glycans using KS derivatives as glycomimetics, will likely become a clue to the development of novel and effective therapeutic strategies.
Trans-endothelial trafficking of metabolic substrates and its importance in cardio-metabolic disease
Authors: Faulkner Ashton
Published: February 2021

The endothelium acts as a gatekeeper, controlling the movement of biomolecules between the circulation and underlying tissues. Although conditions of metabolic stress are traditionally considered as causes of endothelial dysfunction, a principal driver of cardiovascular disease, accumulating evidence suggests that endothelial cells are also active players in maintaining local metabolic homeostasis, in part, through regulating the supply of metabolic substrates, including lipids and glucose, to energy-demanding organs. Therefore, endothelial dysfunction, in terms of altered trans-endothelial trafficking of these substrates, may in fact be an early contributor towards the establishment of metabolic dysfunction and subsequent cardiovascular disease. Understanding the molecular mechanisms that underpin substrate trafficking through the endothelium represents an important area within the vascular and metabolism fields that may offer an opportunity for identifying novel therapeutic targets. This mini-review summarises the emerging mechanisms regulating the trafficking of lipids and glucose through the endothelial barrier and how this may impact on the development of cardio-metabolic disease.
A proposed efficiency metric for LTE‐advanced carrier aggregation
Authors: Ameen Araz Sabir
Published: February 2021

LTE‐Advanced uses Carrier Aggregation (CA) and Spatial Multiplexing (SM) Multiple Input Multiple Output (MIMO) antenna system to achieve the target data rates of the 4G and 5G cellular system. Therefore, this paper studies the performance of the concurrent operation of the inter‐band CA and SM MIMO and proposes a novel CA efficiency metric that integrates the performance of different Component Carriers (CCs) into a single parameter. The proposed CA metric is then used to recommend a CA scenario that balances the transmit power of the CCs and results in efficient utilization of the antenna resources. The study is performed for many eNodeB‐UE links in an urban environment at CCs of 800 MHz and 2.6 GHz considering different combinations of single and multiple‐antenna systems. The radio channel is modelled using an urban site‐specific 3D ray‐tracing tool combined with measured antenna 3D radiation patterns. The simulation results show dependency on the number of aggregated spatial streams and cell radius. The paper recommends (1) the use of higher number of spatial streams for the lowest CC, (2) cell radius less than 600 m. The proposed CA efficiency metric can be used for system level simulation studies of any wireless technology that supports CA.
Novel failure mechanism of nanoscale mesa‐type avalanche photodiodes under harsh environmental stresses
Authors: Huang Jack Jia‐Sheng , Chang HsiangSzu , Chou Emin , Jan Yu‐Heng , Shi Jin‐Wei
Published: February 2021

Avalanche photodiode (APD) is an indispensable receiver component because of its high bandwidth and low noise performance. Recently, APD reliability, under harsh environmental stresses such as high heat and humidity, has drawn great interest in the applications of passive optical network, wireless, military, and free space optics. The authors study the APD degradation under the harsh environment of high humidity and high bias. The failure morphology through cross‐sectional scanning electron microscopy is shown, and a new moisture degradation model based on electrochemical oxidation to account for the failure mechanism is developed.
Nickel‐cobalt‐zinc ferrite nanoparticles for radio‐frequency/terahertz frequency‐selective surface application
Authors: Arya Meenakshi , Gandhi Mayuri N. , Prabhu Shriganesh S. , Achanta Venu Gopal , Duttagupta Siddhartha P
Published: February 2021

Nanoparticles of Ni0.5Co0.2Zn0.3Fe2O4 were prepared using the sol‐gel combustion route. The nanoparticles were characterised by x‐ray diffraction to confirm single‐phase formation in a cubic spinel structure. Micro‐ and nanostructural analyses were carried out using field emission‐scanning electron microscopy and field emission‐transmission electron microscopy, respectively. A planetary ball milling technique was used to grind the powder into nanoparticles; the average particle size was 64 nm. Energy‐dispersive X‐ray spectroscopy was used to determine the atomic composition of the sample. Radio‐frequency characteristics were recorded for dielectric measurement in a frequency range of 1 Hz to 15 MHz using a broadband dielectric spectrometer. Terahertz (THz) time‐domain spectroscopy was performed to study THz‐optical parameters such as refractive index, dielectric constant, and conductivity at room temperature in a frequency range of 0.3−2.2 THz using an indigenously developed THz time‐domain spectroscopy setup. The magnetic properties of the sample were studied using a SQUID vibrating sample magnetometer under an applied magnetic field of ±10 kOe. An examination of M‐H loops revealed that the saturation magnetization , remanent magnetization and coercivity increased with an increase in temperature from 300 to 50 K.
Kiloparsec view of a typical star-forming galaxy when the Universe was ∼1 Gyr old
Authors: Herrera-Camus R. , Förster Schreiber N. , Genzel R. , Tacconi L. , Bolatto A. , Davies R. L. , Fisher D. , Lutz D. , Naab T. , Shimizu T. , Tadaki K. , Übler H.
Published: February 2021

We present new Atacama Large Millimeter/Submillimeter Array observations of the [C II] 158 μm transition and the dust continuum in HZ4, a typical star-forming galaxy when the Universe was only ∼1 Gyr old (z ≈ 5.5). Our high ≈0.3″ spatial resolution allows us to study the relationships between [C II] line emission, star formation rate, and far-infrared emission on spatial scales of ∼2 kpc. In the central ∼4 kpc of HZ4, the [C II]/FIR is ∼3 × 10−3 on global scales as well as on spatially resolved scales of ∼2 kpc, comparable to the ratio observed in local moderate starburst galaxies such as M 82 or M 83. For the first time in an individual normal galaxy at this redshift, we find evidence for outflowing gas from the central star-forming region in the direction of the minor axis of the galaxy. The projected velocity of the outflow is ∼400 km s−1, and the neutral gas-mass outflow rate is ∼3 − 6 times higher than the star formation rate in the central region. Finally, we detect a diffuse component of [C II] emission, or [C II] halo, that extends beyond the star-forming disk and has a diameter of ∼12 kpc. The outflow, which has a velocity approximately half of the escape velocity of the system, most likely partly fuels the [C II] extended emission. Together with the kinematic analysis of HZ4 (presented in a forthcoming paper), the analysis supports the hypothesis that HZ4 is a typical star-forming disk at z ∼ 5 with interstellar medium conditions similar to present-day galaxies forming stars at a similar level, driving a galactic outflow that may already play a role in its evolution.
Évaluation de la durabilité des exploitations maraîchères au Sud-Kivu (Est de la République Démocratique du Congo)
Authors: Ndjadi Serge S. , Ahoton Léonard E. , Kizungu Roger V. , Saidou Aliou , Mugumaarhahama Yannick , Mushagalusa Arsène C. , Safina Francine B. , Mushagalusa Gustave N.
Published: February 2021

Le maraîchage est actuellement un secteur où certaines pratiques d’agriculture moderne comme la culture pure et l’utilisation des produits de synthèse se développent, mais sont de plus en plus questionnées. L’évaluation de la durabilité de ces pratiques n’a pas encore fait l’objet d’études dans les régions montagneuses du Sud-Kivu, à l’Est de la République démocratique du Congo. Pour y remédier, la durabilité de 368 unités de production maraîchère choisies de manière aléatoire et stratifiée a été évaluée grâce à l’outil « Indicateur de la durabilité de la production maraîchère » (IPDM). Les résultats obtenus font ressortir trois types d’exploitations dont 44 % sont de grande taille, 52 % de taille moyenne et 5 % de petite taille. Il a été constaté que, sur un maximum de 100 points possibles, les exploitations de petite taille obtiennent des scores de durabilité de 60 %, 53 % et 57 % sur les trois dimensions respectives de la durabilité : agroécologique, socio-territoriale et économique. Sur toutes ces dimensions, les grandes exploitations n’atteignent pas 50 %. Ces résultats montrent que les grandes exploitations, plus modernes, sont cependant moins durables. Afin de pérenniser le maraîchage au Sud-Kivu, il apparaît donc nécessaire de promouvoir l’intensification écologique, la diversification intégrée et la promotion des intrants locaux auprès des différents types d’exploitation, et en particulier des plus grandes, engagées dans des techniques intensives mais peu durables.
Coupled versus decoupled penalization of control complementarity constraints
Authors: Deng Yu , Mehlitz Patrick , Prüfert Uwe
Published: February 2021

This paper deals with the numerical solution of optimal control problems with control complementarity constraints. For that purpose, we suggest the use of several penalty methods which differ with respect to the handling of the complementarity constraint which is either penalized as a whole with the aid of NCP-functions or decoupled in such a way that non-negativity constraints as well as the equilibrium condition are penalized individually. We first present general global and local convergence results which cover several different penalty schemes before two decoupled methods which are based on a classical ℓ1- and ℓ2-penalty term, respectively, are investigated in more detail. Afterwards, the numerical implementation of these penalty methods is discussed. Based on some examples, where the optimal boundary control of a parabolic partial differential equation is considered, some quantitative properties of the resulting algorithms are compared.
ADVANCED MANUFACTURING FOR NUCLEAR CORE DESIGN
Authors: Betzler B. R. , Ade B. J. , Wysocki A. J. , Greenwood M. S. , Heineman J. J. W. , Chesser P. C. , Jain P. K. , Heidet F. , Bergeron A.
Published: February 2021

Advanced manufacturing has the potential to revitalize US manufacturing, with valuable applications in several industries, including aerospace, automotive, and construction. Some of these applications have clear-cut objectives (e.g., maintain component performance while reducing mass). Applications of advanced manufacturing of nuclear components have aimed at recapturing lost manufacturing capabilities or addressing maintenance of legacy reactor components. Through the Department of Energy, Office of Nuclear Energy, Transformational Challenge Reactor design and analysis thrust, applications of advanced manufacturing, in particular, additive manufacturing, to core design has yielded reactor designs that are free from conventional manufacturing constraints. For applications in core design, the multiphysics nature of the key core metrics (e.g., peak temperature, peak power) in addition to transient safety performance requirements provides a more complex set of objectives that requires more advanced modeling and simulation tools. Additive manufacturing provides high dimensional control and design flexibility to produce complex coolant channel shapes for improved heat transfer properties and low peak material temperatures. Additional mechanisms for improved heat transfer characteristics and temperature-controlled feedback mechanisms have also been explored and incorporated into designs. While some of these enhancements are not directly beneficial for the current operating pressurized water reactor fleet, benefits may be realized in specific reactor applications that have a more constrained design space (e.g., mass, size, material type) or design metrics (e.g., fuel utilization).
VALIDATION OF THE POLARIS CANDU EXTENSION FOR LATTICE PHYSICS
Authors: Younan Simon , Novog David
Published: February 2021

Polaris is a new lattice physics package, introduced in version 6.2 of the SCALE package. It uses a method of characteristics transport solver and the embedded self-shielding method. It is able to model light water reactor systems with a minimal amount of input. The goal of this project is to include support for CANDU models in Polaris for the next version of SCALE. So far, the model has been implemented and shown to give results with reasonable agreement to other SCALE sequences. This study extends the model to a reflector model, and shows that most quantities agree well with other codes. Some quantities, such as keff and assembly discontinuity factors, are sensitive to meshing. This study also performs a correlation between the TRITON and Polaris sequences using Sampler to perturb the nuclear data. Overall, there is good agreement between the two codes, though coolant void reactivity is only moderately correlated, likely due to the differences in resonance self-shielding methods. Additionally, this work shows that a coarser mesh can be used to speed up uncertainty calculations compared to the mesh used for a best estimate. Finally, this work shows that the mass lumping feature in CENTRM significantly affects heavy water moderated calculations, whether using TRITON or calculating self-shielding factors, and thus should be disabled for heavy water calculations.