bluuebunny/crossref_metadata_2025 huggingface dataset:
New outcomes on how silicon enables the cultivation of Panicum maximum in soil with water restriction
Authors: Rocha Juan Ricardo , de Mello Prado Renato , de Cássia Piccolo Marisa
Published: February 2022

Climate change increases the occurrence of droughts, decreasing the production of tropical forages through the induction of physiological stress. Si is expected to broaden the limit from physiological stress of forages grown under water restriction, which may come from an improvement in the stoichiometric homeostasis of Si with N and C, favoring physiological aspects. This study assessed whether Si supply via fertigation improves physiological aspects and the water content in the plant by means of an antioxidant defense system and changes in the C:N:Si stoichiometry during the regrowth of two cultivars ofPanicum maximumgrown under two soil water regimes (70 and 40% of the soil’s water retention capacity). The forages studied are sensitive to water deficit without silicon supply. The application of Si via fertigation attenuated the water deficit, favoring plant growth by stabilizing the stoichiometric homeostasis C:N and C:Si, which are responsible for increasing the plant capacity of converting accumulated C in dry mass, favoring the water content of the plant tissue and the photosynthetic efficiency. This study highlights the importance of the physiological function of Si, and effects on the stoichiometry of C and N, which are neglected in most research on forages grown under water restriction.
Screening of compounds to identify novel epigenetic regulatory factors that affect innate immune memory in macrophages
Authors: Benjaskulluecha Salisa , Boonmee Atsadang , Pattarakankul Thitiporn , Wongprom Benjawan , Klomsing Jeerameth , Palaga Tanapat
Published: February 2022

Trained immunity and tolerance are part of the innate immune memory that allow innate immune cells to differentially respond to a second encounter with stimuli by enhancing or suppressing responses. In trained immunity, treatment of macrophages with β-glucan (BG) facilitates the production of proinflammatory cytokines upon lipopolysaccharide (LPS) stimulation. For the tolerance response, LPS stimulation leads to suppressed inflammatory responses during subsequent LPS exposure. Epigenetic reprogramming plays crucial roles in both phenomena, which are tightly associated with metabolic flux. In this study, we performed a screening of an epigenetics compound library that affects trained immunity or LPS tolerance in macrophages using TNFα as a readout. Among the 181 compounds tested, one compound showed suppressive effects, while 2 compounds showed promoting effects on BG-trained TNFα production. In contrast, various inhibitors targeting Aurora kinase, histone methyltransferase, histone demethylase, histone deacetylase and DNA methyltransferase showed inhibitory activity against LPS tolerance. Several proteins previously unknown to be involved in innate immune memory, such as MGMT, Aurora kinase, LSD1 and PRMT5, were revealed. Protein network analysis revealed that the trained immunity targets are linked via Trp53, while LPS tolerance targets form three clusters of histone-modifying enzymes, cell division and base-excision repair. In trained immunity, the histone lysine methyltransferase SETD7 was identified, and its expression was increased during BG treatment. Level of the histone lysine demethylase, LSD1, increased during LPS priming and siRNA-mediated reduction resulted in increased expression of Il1b in LPS tolerance. Taken together, this screening approach confirmed the importance of epigenetic modifications in innate immune memory and provided potential novel targets for intervention.
Feasibility of targeted cascade genetic testing in the family members of BRCA1/2 gene pathogenic variant/likely pathogenic variant carriers
Authors: Lee Jeeyeon , Ham Ji Yeon , Park Ho Yong , Jung Jin Hyang , Kim Wan Wook , Kang Byeongju , Chae Yee Soo , Lee Soo Jung , Lee In Hee , Lee Nan Young
Published: February 2022

The pathogenic variant (PV) or likely pathogenic variant (LPV) BRCA1/2 gene is strongly associated with hereditary breast or ovarian cancer. Therefore, it is important to screen blood relatives to establish preventive modalities and surveillance. This study evaluated the feasibility of targeted cascade genetic testing for family members of BRCA1/2 gene PV or LPV carriers. We screened 18 families for BRCA1/2 gene status via the conventional cascade genetic test (n = 9) and targeted cascade genetic test (n = 9), which targeted the exon region wherein the index patient showed PV or LPV. The pedigree and clinicopathologic characteristics were reviewed and analyzed. All index patients were diagnosed with breast cancer, while the third family members were all healthy. In the conventional cascade test group, 3 index patients and 3 family members had the BRCA1/2 gene PV or LPV. In the targeted cascade test group, 5 family members had same type of BRCA1/2 gene PV or LPV as their index patients. Two families had an identical string of BRCA1/2 gene PV or LPV. Although the targeted cascade genetic test cannot completely characterize the BRCA1/2 gene, it is sufficient for determining its PV or LPV status. This limited genetic test can be used for family members of PV or LPV carriers.
WIN site inhibition disrupts a subset of WDR5 function
Authors: Siladi Andrew J. , Wang Jing , Florian Andrea C. , Thomas Lance R. , Creighton Joy H. , Matlock Brittany K. , Flaherty David K. , Lorey Shelly L. , Howard Gregory C. , Fesik Stephen W. , Weissmiller April M. , Liu Qi , Tansey William P.
Published: February 2022

WDR5 nucleates the assembly of histone-modifying complexes and acts outside this context in a range of chromatin-centric processes. WDR5 is also a prominent target for pharmacological inhibition in cancer. Small-molecule degraders of WDR5 have been described, but most drug discovery efforts center on blocking the WIN site of WDR5, an arginine binding cavity that engages MLL/SET enzymes that deposit histone H3 lysine 4 methylation (H3K4me). Therapeutic application of WIN site inhibitors is complicated by the disparate functions of WDR5, but is generally guided by two assumptions—that WIN site inhibitors disable all functions of WDR5, and that changes in H3K4me drive the transcriptional response of cancer cells to WIN site blockade. Here, we test these assumptions by comparing the impact of WIN site inhibition versus WDR5 degradation on H3K4me and transcriptional processes. We show that WIN site inhibition disables only a specific subset of WDR5 activity, and that H3K4me changes induced by WDR5 depletion do not explain accompanying transcriptional responses. These data recast WIN site inhibitors as selective loss-of-function agents, contradict H3K4me as a relevant mechanism of action for WDR5 inhibitors, and indicate distinct clinical applications of WIN site inhibitors and WDR5 degraders.
Xenopus laevis il11ra.L is an experimentally proven interleukin-11 receptor component that is required for tadpole tail regeneration
Authors: Suzuki Shunya , Sasaki Kayo , Fukazawa Taro , Kubo Takeo
Published: February 2022

Xenopus laevistadpoles possess high regenerative ability and can regenerate functional tails after amputation. An early event in regeneration is the induction of undifferentiated cells that form the regenerated tail. We previously reported thatinterleukin-11(il11) is upregulated immediately after tail amputation to induce undifferentiated cells of different cell lineages, indicating a key role ofil11in initiating tail regeneration. As Il11 is a secretory factor, Il11 receptor-expressing cells are thought to mediate its function.X. laevishas a gene annotated asinterleukin 11 receptor subunit alphaon chromosome 1L (il11ra.L), a putative subunit of the Il11 receptor complex, but its function has not been investigated. Here, we show that nuclear localization of phosphorylated Stat3 induced by Il11 is abolished inil11ra.Lknocked-out culture cells, strongly suggesting thatil11ra.Lencodes an Il11 receptor component. Moreover, knockdown ofil11ra.Limpaired tadpole tail regeneration, suggesting its indispensable role in tail regeneration. We also provide a model showing that Il11 functions viail11ra.L-expressing cells in a non-cell autonomous manner. These results highlight the importance ofil11ra.L-expressing cells in tail regeneration.
Reproducibility of repeated breathhold and impact of breathhold failure in whole breast and regional nodal irradiation in prone crawl position
Authors: Deseyne Pieter , Speleers Bruno , Paelinck Leen , De Gersem Werner , De Neve Wilfried , Schoepen Max , Van Greveling Annick , Van Hulle Hans , Vakaet Vincent , Post Giselle , Monten Chris , Depypere Herman , Veldeman Liv
Published: February 2022

In whole breast and regional nodal irradiation (WB + RNI), breathhold increases organ at risk (OAR) sparing. WB + RNI is usually performed in supine position, because positioning materials obstruct beam paths in prone position. Recent advancements allow prone WB + RNI (pWB + RNI) with increased sparing of OARs compared to supine WB + RNI. We evaluate positional and dosimetrical impact of repeated breathhold (RBH) and failure to breathhold (FTBH) in pWB + RNI. Twenty left-sided breast cancer patients were scanned twice in breathhold (baseline and RBH) and once free breathing (i.e. FTBH). Positional impact was evaluated using overlap index (OI) and Dice similarity coefficient (DSC). Dosimetrical impact was assessed by beam transposition from the baseline plan. Mean OI and DSC ranges were 0.01–0.98 and 0.01–0.92 for FTBH, and 0.73–1 and 0.69–1 for RBH. Dosimetric impact of RBH was negligible. FTBH significantly decreased minimal dose to CTV WBI, level II and the internal mammary nodes, with adequate mean doses. FTBH significantly increased heart, LAD, left lung and esophagus dose. OI and DSC for RBH and FTBH show reproducible large ROI positions. Small ROIs show poor overlap. FTBH maintained adequate target coverage but increased heart, LAD, ipsilateral lung and esophagus dose. RBH is a robust technique in pWB + RNI. (Clinicaltrials.gov: NCT05179161, registered 05/01/2022).
Lipid metabolism analysis in liver of different chicken genotypes and impact on nutritionally relevant polyunsaturated fatty acids of meat
Authors: Cartoni Mancinelli Alice , Di Veroli Alessandra , Mattioli Simona , Cruciani Gabriele , Dal Bosco Alessandro , Castellini Cesare
Published: February 2022

Humans and mammalian species are unable to synthesize significant amounts of polyunsaturated fatty acids (PUFA), which therefore must be introduced with the diet. In birds, lipogenesis takes place primarily in the liver, whereas adipose tissue serves as the storage site for triacylglycerols (TG, composed by 80–85% esterified fatty acids). However, both the nature (unsaturation level, n-3, or n-6 series) and the allocation (such as constituents of complexed lipids) of PUFA are very important to evaluate their function in lipid metabolism. The objective of the present investigation was to study the liver lipid metabolism, with particular attention to non-esterified fatty acids (NEFA), TG, phospholipids (PL), FADS2 gene expression, and Δ6-desaturase activity of three chicken genotypes, Leghorn (Leg), Ross 308 (Ross), and their crossbreed (LxR), by LC/MS analysis. The concentration of single fatty acids in muscle was quantified by GC-FID. The results showed that the Ross has a lipid metabolism related mainly to storage and structural roles, exhibiting higher levels of TG, phosphatidylethanolamine (PE) and phosphatidylcholine (PC) that are largely unsaturated. Meanwhile Leg showed a relevant amount of n-3 NEFA characterized by a higher phosphatidylserine (PS) unsaturation level, FADS2 gene expression and enzyme activity. The LxR seem to have a moderate trend: n-6 and n-3 NEFA showed intermediate values compared with that of the Ross and Leg and the TG trend was similar to that of the Ross, while PE and PC were largely unsaturated (mainly 6 and 7 UNS most of the metabolic energy for storage fatty acids in their tissues (TG) whereas, the Leg birds were characterized by different lipid metabolism showing in their liver a higher content of n-3 NEFA and higher unsaturation level in PS. Furthers details are needed to better attribute the lipid energy to the different metabolic portion.
Carvedilol targets β-arrestins to rewire innate immunity and improve oncolytic adenoviral therapy
Authors: Hoare Joseph I. , Osmani Bleona , O’Sullivan Emily A. , Browne Ashley , Campbell Nicola , Metcalf Stephen , Nicolini Francesco , Saxena Jayeta , Martin Sarah A. , Lockley Michelle
Published: February 2022

Oncolytic viruses are being tested in clinical trials, including in women with ovarian cancer. We use a drug-repurposing approach to identify existing drugs that enhance the activity of oncolytic adenoviruses. This reveals that carvedilol, a β-arrestin-biased β-blocker, synergises with both wild-type adenovirus and the E1A-CR2-deleted oncolytic adenovirus, dl922-947. Synergy is not due to β-adrenergic blockade but is dependent on β-arrestins and is reversed by β-arrestin CRISPR gene editing. Co-treatment with dl922-947 and carvedilol causes increased viral DNA replication, greater viral protein expression and higher titres of infectious viral particles. Carvedilol also enhances viral efficacy in orthotopic, intraperitoneal murine models, achieving more rapid tumour clearance than virus alone. Increased anti-cancer activity is associated with an intratumoural inflammatory cell infiltrate and systemic cytokine release. In summary, carvedilol augments the activity of oncolytic adenoviruses via β-arrestins to re-wire cytokine networks and innate immunity and could therefore improve oncolytic viruses for cancer patient treatment.
The neuroprotective mechanism of lithium after ischaemic stroke
Authors: Chen Beina , Zhang Manman , Ji Ming , Zhang Dianjun , Chen Binjie , Gong Wenliang , Li Xinyu , Zhou Yuefei , Dong Chengyi , Wen Gehua , Zhan Xiaoni , Wu Xiafang , Yuan Huiya , Xu Enyu , Xia Maosheng , Verkhratsky Alexei , Li Baoman
Published: February 2022

Stroke causes degeneration and death of neurones leading to the loss of motor function and frequent occurrence of cognitive impairment and depression. Lithium (Li+), the archetypal mood stabiliser, is neuroprotective in animal models of stroke, albeit underlying mechanisms remain unknown. We discover that Li+ inhibits activation of nucleotide-binding oligomerisation domain-like receptor family pyrin domain-containing 3 (NLRP3) inflammasomes in the middle cerebral artery occlusion (MCAO) stroke model in mice. This action of Li+ is mediated by two signalling pathways of AKT/GSK3β/β-catenin and AKT/FoxO3a/β-catenin which converge in suppressing the production of reactive oxygen species (ROS). Using immunocytochemstry, MRI imaging, and cell sorting with subsequent mRNA and protein quantification, we demonstrate that Li+ decreases the infarct volume, improves motor function, and alleviates associated cognitive and depressive impairments. In conclusion, this study reveals molecular mechanisms of Li+ neuroprotection during brain ischaemia, thus providing the theoretical background to extend clinical applications of Li+ for treatment of ischemic stroke.
The mining industry as a net beneficiary of a global tax on carbon emissions
Authors: Cox Benjamin , Innis Sally , Kunz Nadja C. , Steen John
Published: February 2022

The technology used in renewable energy production is resulting in a material increase in the demand for many minerals and metals. While the mining industry contributes to global carbon dioxide emissions, the industry is also critical to lowering global carbon emissions across the broader economy. Here we test the impact of a hypothetical international carbon taxation regime on a subsection of the mining industry compared to other sectors. A financial model was developed to calculate the cost of carbon taxes for 23 commodities across three industries. The findings show that, given any level of taxation tested, most mining industry commodities would not add more than 30% of their present product value. Comparatively, commodities such as coal could be taxed at more than 150% of their current product value under more intense carbon pricing initiatives, thereby accelerating the transition to renewable energy sources and the consequent demand benefits for mined metals.
Uncertainty of measurement of ionic calcium in milk measured by ISE: a Monte-Carlo insight
Authors: Ishchenko Mykola V. , Ishchenko Vira M. , Kvitkovska Nadiya P. , Kochubei-Litvinenko Oksana V.
Published: February 2022

This study proposes an approach to evaluate the measurement uncertainty for the determination of ionic calcium by the ISE method based on JCGM 100 guide to the expression of uncertainty in measurement.
Evaluation and optimization of the influence of silver cluster ions on the MALDI-TOF-MS analysis of polystyrene nanoplastic polymers
Authors: Habumugisha Théogène , Zhang Zixing , Ndayishimiye Jean Claude , Nkinahamira François , Kayiranga Alexis , Cyubahiro Eric , Rehman Abdul , Yan Changzhou , Zhang Xian
Published: February 2022

Polystyrene nanoplastic mass spectra suffered interference from silver cluster ions. Nonpolar matrices enhanced the polystyrene nanoplastic mass spectral quality.
Natural language processing models that automate programming will transform chemistry research and teaching
Authors: Hocky Glen M. , White Andrew D.
Published: February 2022

Natural language processing models have emerged that can generate useable software and automate a number of programming tasks with high fidelity.
Curcumin alleviates hepatic steatosis by improving mitochondrial function in postnatal overfed rats and fatty L02 cells through the SIRT3 pathway
Authors: Du Susu , Zhu Xiaolei , Zhou Nan , Zheng Wen , Zhou Wei , Li Xiaonan
Published: February 2022

Postnatal overfeeding damaged mitochondrial biogenesis and antioxidant response, and increased hepatic lipids and the severity of high-fat-induced NAFLD, while curcumin alleviated hepatic steatosis, at least partially, by enhancing mitochondrial function through SIRT3.
A biocompatible photosensitizer with a high intersystem crossing efficiency for precise two-photon photodynamic therapy
Authors: Xu Zhourui , Jiang Yihang , Shen Yuanyuan , Tang Lele , Hu Zulu , Lin Guimiao , Law Wing-Cheung , Ma Mingze , Dong Biqin , Yong Ken-Tye , Xu Gaixia , Tao Ye , Chen Runfeng , Yang Chengbin
Published: February 2022

A biocompatible organic room-temperature phosphorescence photosensitizer that can be excited using two-photon near-infrared light is developed for photodynamic therapy to achieve improved oxygen species generation and tissue penetration.
Optically coupled gold nanostructures: plasmon enhanced luminescence from gold nanorod-nanocluster hybrids
Authors: Pavelka Ondrej , Kvakova Klaudia , Vesely Jozef , Mizera Jiri , Cigler Petr , Valenta Jan
Published: February 2022

Assembly of two gold nanostructures, luminescent nanoclusters and plasmonic nanorods, allows for a controlled enhancement of luminescence. The system shows unprecedented degree of control over geometry and optical properties.
Layered tungsten-based composites and their pseudocapacitive and electrocatalytic performance
Authors: Ola Oluwafunmilola , Thummavichai Kunyapat , Chen Yu , Wang Nannan , Niu Qijian , Wang Jiaao , Sun Shibin , Zhu Yanqiu
Published: February 2022

The WS2–g-C3N4 composite was synthesized for pseudocapacitive and hydrogen evolution reaction measurements.
ChiralN-triflylphosphoramide-catalyzed asymmetric hydroamination of unactivated alkenes: a hetero-ene reaction mechanism
Authors: Wang Na , Fan Li-Wen , Zhang Jin , Gu Qiang-Shuai , Lin Jin-Shun , Chen Guo-Qiang , Liu Xin-Yuan , Yu Peiyuan
Published: February 2022

A rare hetero-ene mechanism has been computationally elucidated to enable the activation of unactivated alkenes by moderately strong chiralN-triflylphosphoramide Brønsted acid catalysts.
In situ integration of cobalt diselenide nanoparticles on CNTs realizing durable hydrogen evolution
Authors: Ye Hongfeng , Zhou Xuejiao , Shao Zhitao , Yao Jing , Ma Wenjie , Wu Lili , Ma Xinzhi
Published: February 2022

The CoSe2/CNT composites are integrated as electrocatalysts for the hydrogen evolution reaction, providing a new way to construct durable electrocatalysts from transition metal compounds.
Antibacterial effect of copper nanoparticles produced in a Shewanella-supported non-external circuit bioelectrical system on bacterial plant pathogens
Authors: Luong Huong Thu , Nguyen Canh Xuan , Lam Thuong Thuong , Nguyen Thi-Hanh , Dang Quang-Le , Lee Ji-Hoon , Hur Hor-Gil , Nguyen Hoa Thi , Ho Cuong Tu
Published: February 2022

The inhibition of copper nanoparticles produced in a nec_BES to plant pathogens was investigated in this study.
Carbazole-based bis-imidazole ligand-involved synthesis of inorganic–organic hybrid polyoxometalates as electrochemical sensors for detecting bromate and efficient catalysts for selective oxidation of thioether
Authors: Wang Xiang , Lin Jiafeng , Li Huan , Wang Chenying , Wang Xiuli
Published: February 2022

Three inorganic–organic hybrid polyoxometalates were prepared using a bis-imidazole ligand featuring carbazole as a connector, exhibiting not only diverse structures, but also good electrochemical sensing activities for bromate, as well as efficient catalytic performances for oxidation of thioether.
HydroFlipper membrane tension probes: imaging membrane hydration and mechanical compression simultaneously in living cells
Authors: García-Calvo José , López-Andarias Javier , Maillard Jimmy , Mercier Vincent , Roffay Chloé , Roux Aurélien , Fürstenberg Alexandre , Sakai Naomi , Matile Stefan
Published: February 2022

HydroFlippers respond to membrane compression and hydration in the same fluorescence lifetime imaging microscopy histogram: the responses do not correlate.
A biocompatible hydrogel as a template for oxidative decomposition reactions: a chemodosimetric analysis and in vitro imaging of hypochlorite
Authors: Biswakarma Dipen , Dey Nilanjan , Bhattacharya Santanu
Published: February 2022

The self-assembly properties of new biocompatible, thermoreversible fluorescent hydrogels, composed of amino acid residues have been reported. A unique gel-to-sol transition is triggered by chemodosimetric interaction in the presence of hypochlorite.
Active control of strong plasmon–exciton coupling in biomimetic pigment–polymer antenna complexes grown by surface-initiated polymerisation from gold nanostructures
Authors: Lishchuk Anna , Csányi Evelin , Darroch Brice , Wilson Chloe , Nabok Alexei , Leggett Graham J.
Published: February 2022

Excitons in pigment–polymer antenna complexes formed by attachment of chlorophyll to surface grafted polymers are coupled strongly to plasmon modes, with coupling energies twice those for biological light-harvesting complexes and active control of plasmon–exciton coupling.
Fast, solvent-free synthesis of ferrocene-containing organic cages via dynamic covalent chemistry in the solid state
Authors: Kunde Tom , Pausch Tobias , Guńka Piotr A. , Krzyżanowski Maurycy , Kasprzak Artur , Schmidt Bernd M.
Published: February 2022

Using mechanochemistry and glassware readily available to every organic chemist, a simple, solvent-free synthetic protocol for self-assembled macromolecules containing ferrocenes is presented.
Tuning the photophysical properties of lanthanide(iii)/zinc(ii) ‘encapsulated sandwich’ metallacrowns emitting in the near-infrared range
Authors: Eliseeva Svetlana V. , Nguyen Tu N. , Kampf Jeff W. , Trivedi Evan R. , Pecoraro Vincent L. , Petoud Stéphane
Published: February 2022

We have created a family of ‘encapsulated sandwich’ Zn16Ln(HA)16 metallacrowns and by detailed quantitative analysis demonstrated how the nature of the hydroximate ligand impacts photophysical properties of these complexes.
Thermally-driven reactivity of Li0.35La0.55TiO3solid electrolyte with LiCoO2cathode
Authors: Chandra Subhash , Kim Younggyu , Vivona Daniele , Waluyo Iradwikanari , Hunt Adrian , Schlueter Christoph , Lee Jeong Beom , Shao-Horn Yang , Yildiz Bilge
Published: February 2022

Co diffusion from LCO into LLTO onsets around 300 °C in air, in the absence of any secondary phases. Co diffusion into LLTO decreases the charge transfer resistance, by forming a mixed electronic and ionic conducting zone near the interface.
Advances in studies of the structural effects of supported Ni catalysts for CO2hydrogenation: from nanoparticle to single atom catalyst
Authors: Zhang Zhitao , Shen Chenyang , Sun Kaihang , Jia Xinyu , Ye Jingyun , Liu Chang-jun
Published: February 2022

The significant structural effects of supported Ni catalysts from nanoparticles to single atoms on CO2hydrogenation were summarized.
Doping strategy and mechanism for oxide and sulfide solid electrolytes with high ionic conductivity
Authors: Wang Yue , Wu Yujing , Wang Zhixuan , Chen Liquan , Li Hong , Wu Fan
Published: February 2022

Ionic conductivity is a critical parameter required for superionic conductors to be successfully applied as solid electrolytes in all-solid-state batteries.
Downshifting in Cs2NaBiCl6:Er3+: transforming ultraviolet into near infrared radiation
Authors: Huang Anjun , Duan Chang-Kui , Wong Ka-Leung , Tanner Peter A.
Published: February 2022

A striking UV-NIR downshifting occurs in the Cs2NaBiCl6:Er3+ host, and the 4I13/2 emitting level is populated by at least two channels.
A forward view for Digital Discovery: the scientific challenges of the twenty-first century require accelerated discovery approaches
Authors: Aspuru-Guzik Alán
Published: February 2022

In his inaugural Editorial, the Editor-in-Chief of Digital Discovery introduces the new, emerging field of ‘accelerated science’ and explains what his expectations are of the articles to be included in this new exciting journal.
Frustrated behavior of Lewis/Brønsted pairs inside molecular cages
Authors: Li C. , Manick A.-D. , Dutasta J.-P. , Bugaut X. , Chatelet B. , Martinez A.
Published: February 2022

Small changes in the cavity size and shape allow for modulating the level of frustration of endohedrally functionalized cages.
Sandwich-like strontium fluoride graphene-modified separator inhibits polysulfide shuttling and lithium dendrite growth in lithium–sulfur batteries
Authors: Jing Weitao , Zu Jiahao , Zou Kunyang , Dai Xin , Song Yuanyuan , Han Jiaqi , Sun Junjie , Tan Qiang , Chen Yuanzhen , Liu Yongning
Published: February 2022

The modified separator with sandwich structure can efficiently promote electrochemical reactions, block the shuttle effect, and inhibit the lithium dendrite by excellent electrical conductivity, strong physical barrier and chemical adsorption.
FeCl3-functionalized graphene oxide/single-wall carbon nanotube/silicon heterojunction solar cells with an efficiency of 17.5%
Authors: Hu Xian-Gang , Wei Qinwei , Zhao Yi-Ming , Hou Peng-Xiang , Ren Wencai , Liu Chang , Cheng Hui-Ming
Published: February 2022

A record-high power conversion efficiency of 17.5% is achieved for a FeCl3-functionalized GO/SWCNT/Si heterojunction solar cell due to an efficient antireflection effect and surface charge transfer doping.
Voltage control loss factors for quantifying DG reactive power control impacts on losses and curtailment
Authors: Deakin Matthew , Morstyn Thomas , Apostolopoulou Dimitra , McCulloch Malcolm D
Published: February 2022

Distributed Generators that use reactive power for voltage control in distribution networks reduce renewable curtailment but can significantly increase network losses, undermining the effectiveness of this control. This paper proposes Voltage Control Loss Factors (VCLFs) as a means of understanding the interactions between reactive power flows, losses and curtailment, focusing on commercial‐scale generators in radial systems. The metric uses a substitution‐based method, whereby a system with voltage control is compared against a counterfactual with no such control. The proposed method studies this metric by coupling numerically precise black‐box simulations with analytic results from a Two‐Bus network representation. The latter provides a physical explanation for the numerical simulation results in terms of power, voltage and impedance parameters, providing clear explainability which is absent in traditional approaches for determining distribution loss factors. The whole solution space of the Two‐Bus system is explored, and VCLFs are calculated for six cases on three unbalanced test networks to illustrate the approach. Relative losses as high as 30% are found in a system with high branch resistance‐reactance ratio and large voltage rise. The results have implications for the design of loss allocation algorithms in distribution networks, and the optimal sizing of power‐electronic interfaced Distributed Generators.
Adaptive backstepping controller design of quadrotor biplane for payload delivery
Authors: Dalwadi Nihal , Deb Dipankar , Muyeen S. M.
Published: February 2022

Performance of the UAVs for a particular application can be enhanced by hybrid design, where take‐off, hover, and landing happen like rotary‐wing UAVs, and flies like fixed‐wing UAVs. A backstepping controller and an adaptive backstepping controller are designed for trajectory tracking and payload delivery in a medical emergency or medical substance delivery like vaccine delivery in the presence of wind gust. Simulation results show that the backstepping controller effectively tracks the trajectory during the entire flight envelope, including take‐off, hovering, the transition phase, level flight mode, and landing. A comparison between Backstepping, Integral Terminal Sliding Mode (ITSMC) and Adaptive Backstepping controllers for payload delivery show that the adaptive backstepping controller effectively tracks the altitude and attitude. ITSMC is capable of tracking the desired trajectory for a change in the mass but has sluggish response. The backstepping controller generates a steady‐state error in altitude during the mass change in biplane quadrotor.
An experimental performance verification of continuous mixed P‐norm based adaptive asymmetrical fuzzy logic controller for single stage photovoltaic grid integration
Authors: Priyadarshi Neeraj , Padmanaban Sanjeevikumar , Bhaskar Mahajan Sagar , Khan Baseem
Published: February 2022

This paper deals with a new continuous mixed p‐norm (CMPN) based adaptive asymmetrical fuzzy logic controller (AAFLC) method for single stage grid integrated photovoltaic (PV) system as an inverter control strategy. Here, asymmetrical membership functions are employed to compensate the non‐linear characteristics of the PV module with effective system improvement. The proposed CMPN based algorithm provides online updates of the fuzzy logic controller (FLC) with rapid convergence velocity under varying operating conditions. The performance of a single‐stage grid integrated PV system controlled using CMPN based AAFLC has been investigated using the dSPACE DS1104 platform under steady and dynamic operating situations. Extensive practical analysis has been presented for verification of effective proposed inverter controller design under changing environmental conditions.
Hydrogen steelmaking. Part 1: Physical chemistry and process metallurgy
Authors: Patisson Fabrice , Mirgaux Olivier , Birat Jean-Pierre
Published: February 2022

Pushed to the forefront by the objective to drastically reduce the CO2emissions from the steel industry, a new steelmaking route based on hydrogen and electricity is the subject of a great deal of attention and numerous R&D projects. The first step is to chemically reduce iron ore with H2, which is produced by electrolysis of water with low-carbon electricity, and then to transform the direct reduced iron into steel in an electric arc furnace. The second step is a conventional one, similar to that used for scrap recycling. The first step is similar to the so-called direct reduction process but would use pure electrolytic H2instead of the H2–CO syngas obtained from natural gas reforming. In this paper, we first show how the reduction by pure H2takes place at the microscopic level of the iron oxide grains and pellets. The three-step (hematite-magnetite-wüstite-iron) reduction occurs successively in time and simultaneously in the pellets. Secondly, a sophisticated kinetic model of the reduction of a single pellet based on the experimental findings is described. Lastly, we present a mathematical model for the simulation of the reduction by pure H2in a shaft furnace, which can be very useful for the design of a future installation. The main results are that using pure hydrogen, the reduction kinetics are faster and can end with full metallization, the direct reduction process would be simpler, and the shaft furnace could be squatter. The gains in terms of CO2emissions are quantified (85% off) and the whole route is compared to other zero-carbon solutions in Part 2.
Von den Grenzen der Versorgung und ihrer
Überwindung
Authors: Karow Anne
Published: February 2022

Nahezu ein Drittel der deutschen Bevölkerung (17,8 Millionen Menschen) leiden
jedes Jahr an einer psychischen Erkrankung. Bei 20% der Betroffenen
führt die Erkrankung zusätzlich zu den emotionalen Belastungen auch
zu relevanten Beeinträchtigungen ihres Alltagslebens, wie einer
vorübergehenden oder dauerhaften Arbeitsunfähigkeit. Gleichzeitig
kämpfen wir seit Jahren in allen Bereichen der Versorgung für
Menschen mit psychischen Erkrankungen mit gravierenden Defiziten. Dazu
gehören lange Wartezeiten und keine flächendeckende
Verfügbarkeit vor allem ambulanter Therapieangebote, resultierender
Rückstau und steigender Bedarf einer stationären und
Notfallversorgung, unzureichende sektorübergreifende Zusammenarbeit und
Behandlungskontinuität, zunehmende personelle Versorgungsengpässe
und resultierende Drehtürpsychiatrie mit Unzufriedenheit auf allen Seiten:
bei den Betroffenen und ihren Angehörigen und auch auf Seiten der
Versorger.
3D-Druck: Technologie mit Zukunftspotenzial
Authors: Kucera Martin
Published: February 2022

Der 3D-Druck ist bereits fester Bestandteil vieler Industriezweige. Auch in der Medizin wird das Herstellungsverfahren schon genutzt, etwa für Zahnkronen, Hörgeräte, Prothesen oder sogar menschliches Gewebe. Bis sich damit funktionsfähige Organe herstellen lassen, gilt es sich allerdings noch zu gedulden.
Photochemical pathways of 8-oxo-2′-deoxyguanosine under photodegradation
Authors: Park Terry , Lee Ingu , Son Seong-Jin , Na Youngbin , Ko Do-Kyeong
Published: February 2022

The common product of an oxidatively damaged DNA, 8-oxo-2′-deoxyguanosine (8-oxo-dG), is known for photorepairing cyclobutane pyrimidine dimers. This study is to uncover the dynamics of 8-oxo-dG under photodegradation, which are poorly understood. The photodegradation of aqueous 8-oxo-dG was investigated by transient absorption spectroscopy. Two major stages of the photodegradation showing different excited-state dynamics, the energy shift, and the pH change were observed. The two stages were distinguished by the main events that are the electron ejection in the early stage and the photochemical dynamics in the late stage. Two mechanisms were proposed for the photochemical dynamics under the photodegradation. One of the mechanisms (8-oxo-dG· + ·Haq → 8-oxo-dG) represents the pathway increasing the photophysical properties (photostability and the reactivity toward radicals) in the system, and the other describes the pathway degrading the system (8-oxo-dG· + ·OHaq → 5-OH-8-oxo-dG* → Sp or Gh/Ia). The results might imply that the photodegradation of the oxidatively damaged nucleoside would provide electrons, required for CPD photorepair, and advantageous photophysical properties simultaneously.
Polysulfide regulation vs anode modification: Perspectives on commercializing lithium–sulfur batteries
Authors: Cha Eunho , Yun Jong Hyuk , Kim Do Kyung
Published: February 2022

Lithium–sulfur (Li–S) batteries are considered the promising energy-storage devices to replace the aging lithium-ion batteries. Indeed, they have gained much attention in both academia and industry due to their high theoretical energy density. Although significant progress has been achieved in the field of academia, the same thing cannot be stated for the commercial production of Li–S batteries. This is evidenced by the fact that only a few studies have demonstrated a pouch-cell approach. Thus, it is important to realize the significant gap between academic research and the real-world production of lithium–sulfur cells. In this perspective, we discuss the issues and challenges behind the large-scale production of Li–S batteries; moreover, we highlight the recent advances in the development of lithium–sulfur pouch cells that are achieved either by polysulfide regulation or by anode modification. We hope that this review will attract more attention to the development of lithium–sulfur pouch cells to overcome the practical hurdles of large-scale production.
Perspectives on spintronics technology development: Giant magnetoresistance to spin transfer torque magnetic random access memory
Authors: Pinarbasi M. , Kent A. D.
Published: February 2022

The discovery of the giant magnetoresistance (GMR) effect in 1988 started a new field called spintronics and was recognized with the 2007 Nobel Prize in Physics, which was awarded to Fert and Grunberg. Spintronics is based on the contribution of both electron spin and electron charges of materials to facilitate electronic functions, enabling one extra degree of freedom for device operations. Spintronics has grown rapidly during the past three decades with significant discoveries, technological advancements, and material and device developments that have led to numerous product applications. Furthermore, new research fields and technology areas have been discovered and continue to expand. In this Perspective, key technological advances in the field during the past three decades will be highlighted, starting with the developments that led to the first use of the GMR effect in hard disk drives and its impact in the spintronic ecosystem to currently used perpendicular magnetic tunnel junctions (pMTJs) for spin transfer torque magnetic random access memory (STT-MRAM) devices. The important aspects of the pMTJ characteristics for the application of STT-MRAM will be discussed. This Perspective will present perspectives on a new structure that enhances the efficiency of the pMTJ-based STT-MRAM and research directions that can drive further advances in spintronics.
Optimization of parameters for FDM process with functional input based on LS-SVR
Authors: Cui Qing’an , Zhang Yichi
Published: February 2022

In recent years, fused deposition molding (FDM) has attracted much attention as one of the most common and promising 3D printing technologies. Forming accuracy is one of the most concerned quality characteristics in the FDM process and is influenced by many factors. Based on the fact that the temperature gradient affects the molding accuracy, this paper presents a method for optimizing the accuracy of fused deposition molded parts based on least square support vector regression (LS-SVR), which considers a functional input: the printing speed varies continuously in the printing process, thus reducing the temperature gradients. Some parameters that can affect the temperature and cooling of the part such as nozzle temperature, hotbed temperature, and filling rate are also included in the study. Integrating the characteristics of a functional input and the principle of experimental design, we propose to model the printing speed curve using a Bézier curve and use the curve control points together with the scalar inputs as the variables to be optimized. Then, the sample set is obtained experimentally using stratified Latin hypercube sampling for experimental point selection. The regression modeling of the sample data is performed using LS-SVR with an improved kernel function, where the kernel function is improved by the Fréchet distance. Finally, the entire model is optimized by means of the genetic algorithm. The results show that the dimensional accuracy of the parts is significantly optimized by the proposed method. A comparison with existing methods demonstrates the efficiency and practicality of the proposed method.
Dynamically tunable terahertz metamaterial sensor based on metal–graphene hybrid structural unit
Authors: Zhang Dapeng , Li Zhi , Fan Kefeng , Chen Tao , Jia Bowen , Pan Shubao , Tang Yuan
Published: February 2022

By verifying the electromagnetic response characteristics of graphene in the low terahertz (THz) band, a terahertz metamaterial sensor is proposed. The unit cell of the metamaterial sensor is a split ring resonator nested square ring resonator. The split ring resonator with four gaps is made of lossy metal, and the square ring resonator is formed by graphene. This structure can produce two high-performance resonant valleys in the transmission spectrum of 0.1–1.9 THz. The quantum interference between metal–graphene hybrid units also produces a reverse electromagnetically induced transparency (EIT)-like resonant peak between the two resonant valleys. Compared with the bimetallic ring resonator having the same shape and size, the sensor can dynamically adjust the position of the lower frequency resonant valley, thus, realizing the active tuning of the bandwidth and amplitude of the EIT-like resonant peak. The results demonstrate that the proposed sensor has a better sensing performance and can improve the detection precision by tuning itself to avoid the interference of environmental factors and the properties of samples. Combined with the advantages of convenience, rapidity, and non-damage of terahertz spectrum detection, the sensor has a good application potential to improve the unlabeled trace matter detection.
Modeling spark-plug discharge in humid air
Authors: Silva M. G. , Crispim L. W. S. , Ballester M. Y.
Published: February 2022

Detailed knowledge of the species involved in the oxidation steps during combustion is of interest for technological applications. Using a formerly developed numerical model for a spark-plug discharge in dry air at atmospheric pressure, we studied here the influence of air humidity in the evolution of the densities of neutral and charged species and the gas temperature. The reduced electric field, electronic density, and temperature previously obtained from experimental measurements are parametrically introduced in the model. The effect of relative humidity with the values of 25%, 50%, 75%, and 100% is studied considering the water–air mixture formed by 63 species and coupled by 738 physical and chemical processes. The source term of the chemical reactions is calculated with the ZDPlaskin tool coupled to the numerical model. The analysis of the predominant pathways in the production and consumption of selected species is also carried out. Highly reactive species originated from the inclusion of water in the plasmochemical cycle reach relatively large density values and might play a significant role when considering an air–fuel mixture.
Molecular dynamics simulation of the interface interaction and mechanical properties of PYX and polymer binder
Authors: Chen Fang , Ren Yuanyuan , He Lei , An Chongwei , Wen Shufang , Shen Fanfan
Published: February 2022

The interaction between four polymer binder molecules and 2,6-dipicrylamino-3,5-dinitropyridine (PYX) molecules was determined through the analysis of surface electrostatic potential and deformation electron density. The binding energy, mechanical properties, and cohesive energy density (CED) of Polymer Bonded Explosives (PBXs) based on PYX at different temperatures were studied. By comparing the binding energies of four polymer binders and three PYX crystal surfaces at five temperatures, it was found that the surface of PYX (011) was the most suitable surface, and the binding energy of EPDM (Ethylene Propylene Diene Monomer) and PYX (011) was the strongest by comparing the four polymer-binding molecules with the surface of PYX (011) at the same temperature. The CED values and distribution of CED for four PYX-based PBXs were analyzed with the change in temperature, and the conclusion was drawn that temperature had little influence on CED values. The descending order of CED values of four PYX-based PBXs at the same temperature was as follows: PYX/F2641 > PYX/F246G > PYX/F2311 > PYX/EPDM. At 298 K, the addition of polymer binders significantly changed the mechanical properties of PYX and reduced the stiffness and deformation resistance of the system. In addition, the C12–C44 value of the four systems was positive, which meant that the system was ductile. The order of toughness and ductility is as follows: PYX/F246G > PYX/F2311 > PYX/F2641 > PYX/EPDM. The addition of the polymer binder was helpful for the stability of the explosive. The theoretical detonation velocity and detonation pressure of the PBX systems were calculated.
Magnetization dynamics in the YIG/Au/YIG magnon valve
Authors: Li Zhiyi , Zhang Xiuye , Zhang Dainan , Liu Bo , Meng Hao , Xu Jiapeng , Zhong Zhiyong , Tang Xiaoli , Zhang Huaiwu , Jin Lichuan
Published: February 2022

The magnetization dynamics of an yttrium iron garnet (YIG)/Au/YIG magnon valve was investigated using broadband ferromagnetic resonance. The material characterizations of YIG/Au/YIG were performed using cross-sectional scanning transmission electron microscopy, x-ray diffraction spectroscopy, x-ray photoemission spectroscopy, Raman spectroscopy, and UV–visible spectroscopy. Asymmetric Fano resonance in the YIG/Au (60 nm)/YIG magnon valve structure was observed experimentally, and the two coupled oscillators model was used to describe the source of the Fano resonance qualitatively. We also provide a quantitative description of the Fano resonance and extract the Fano factor, which is an important feature that can be used to define the interaction sign. This represents the first attempt to apply the Fano resonance to magnetization dynamics. The spin wave resonance modes excited by the Au nanoparticles (NPs) surface plasmons were also observed in a YIG/Au NPs/YIG structure. Our findings confirm the occurrence of magnetic Fano resonance in the YIG/Au/YIG magnon valve and pave the way toward the development of quantum information devices based on magnon valves.