bluuebunny/crossref_metadata_2025 huggingface dataset:
Generative adversarial network enables rapid and robust fluorescence lifetime image analysis in live cells
Authors: Chen Yuan-I , Chang Yin-Jui , Liao Shih-Chu , Nguyen Trung Duc , Yang Jianchen , Kuo Yu-An , Hong Soonwoo , Liu Yen-Liang , Rylander H. Grady , Santacruz Samantha R. , Yankeelov Thomas E. , Yeh Hsin-Chih
Published: January 2022

Fluorescence lifetime imaging microscopy (FLIM) is a powerful tool to quantify molecular compositions and study molecular states in complex cellular environment as the lifetime readings are not biased by fluorophore concentration or excitation power. However, the current methods to generate FLIM images are either computationally intensive or unreliable when the number of photons acquired at each pixel is low. Here we introduce a new deep learning-based method termedflimGANE(fluorescencelifetimeimaging based onGenerativeAdversarialNetworkEstimation) that can rapidly generate accurate and high-quality FLIM images even in the photon-starved conditions. We demonstrated our model is up to 2,800 times faster than the gold standard time-domain maximum likelihood estimation (TD_MLE) and thatflimGANEprovides a more accurate analysis of low-photon-count histograms in barcode identification, cellular structure visualization, Förster resonance energy transfer characterization, and metabolic state analysis in live cells. With its advantages in speed and reliability,flimGANEis particularly useful in fundamental biological research and clinical applications, where high-speed analysis is critical.
Advanced genomics identifies growth effectors for proteotoxic ER stress recovery in Arabidopsis thaliana
Authors: Ko Dae Kwan , Brandizzi Federica
Published: January 2022

Adverse environmental and pathophysiological situations can overwhelm the biosynthetic capacity of the endoplasmic reticulum (ER), igniting a potentially lethal condition known as ER stress. ER stress hampers growth and triggers a conserved cytoprotective signaling cascade, the unfolded protein response (UPR) for ER homeostasis. As ER stress subsides, growth is resumed. Despite the pivotal role of the UPR in growth restoration, the underlying mechanisms for growth resumption are yet unknown. To discover these, we undertook a genomics approach in the model plant speciesArabidopsis thalianaand mined the gene reprogramming roles of the UPR modulators, basic leucine zipper28 (bZIP28) and bZIP60, in ER stress resolution. Through a network modeling and experimental validation, we identified key genes downstream of the UPR bZIP-transcription factors (bZIP-TFs), and demonstrated their functional roles. Our analyses have set up a critical pipeline for functional gene discovery in ER stress resolution with broad applicability across multicellular eukaryotes.
Attention modulates neural representation to render reconstructions according to subjective appearance
Authors: Horikawa Tomoyasu , Kamitani Yukiyasu
Published: January 2022

Stimulus images can be reconstructed from visual cortical activity. However, our perception of stimuli is shaped by both stimulus-induced and top-down processes, and it is unclear whether and how reconstructions reflect top-down aspects of perception. Here, we investigate the effect of attention on reconstructions using fMRI activity measured while subjects attend to one of two superimposed images. A state-of-the-art method is used for image reconstruction, in which brain activity is translated (decoded) to deep neural network (DNN) features of hierarchical layers then to an image. Reconstructions resemble the attended rather than unattended images. They can be modeled by superimposed images with biased contrasts, comparable to the appearance during attention. Attentional modulations are found in a broad range of hierarchical visual representations and mirror the brain–DNN correspondence. Our results demonstrate that top-down attention counters stimulus-induced responses, modulating neural representations to render reconstructions in accordance with subjective appearance.
Elevated microglial oxidative phosphorylation and phagocytosis stimulate post-stroke brain remodeling and cognitive function recovery in mice
Authors: Song Shanshan , Yu Lauren , Hasan Md Nabiul , Paruchuri Satya S. , Mullett Steven J. , Sullivan Mara L. G. , Fiesler Victoria M. , Young Cullen B. , Stolz Donna B. , Wendell Stacy G. , Sun Dandan
Published: January 2022

New research shows that disease-associated microglia in neurodegenerative brains present features of elevated phagocytosis, lysosomal functions, and lipid metabolism, which benefit brain repair. The underlying mechanisms remain poorly understood. Intracellular pH (pHi) is important for regulating aerobic glycolysis in microglia, where Na/H exchanger (NHE1) is a key pH regulator by extruding H+ in exchange of Na+ influx. We report here that post-stroke Cx3cr1-CreER+/−;Nhe1flox/flox (Nhe1 cKO) brains displayed stimulation of microglial transcriptomes of rate-limiting enzyme genes for glycolysis, tricarboxylic acid cycle, and oxidative phosphorylation. The other upregulated genes included genes for phagocytosis and LXR/RXR pathway activation as well as the disease-associated microglia hallmark genes (Apoe, Trem2, Spp1). The cKO microglia exhibited increased oxidative phosphorylation capacity, and higher phagocytic activity, which likely played a role in enhanced synaptic stripping and remodeling, oligodendrogenesis, and remyelination. This study reveals that genetic blockade of microglial NHE1 stimulated oxidative phosphorylation immunometabolism, and boosted phagocytosis function which is associated with tissue remodeling and post-stroke cognitive function recovery.
Trans cohort metabolic reprogramming towards glutaminolysis in long-term successfully treated HIV-infection
Authors: Mikaeloff Flora , Svensson Akusjärvi Sara , Ikomey George Mondinde , Krishnan Shuba , Sperk Maike , Gupta Soham , Magdaleno Gustavo Daniel Vega , Escós Alejandra , Lyonga Emilia , Okomo Marie Claire , Tagne Claude Tayou , Babu Hemalatha , Lorson Christian L. , Végvári Ákos , Banerjea Akhil C. , Kele Julianna , Hanna Luke Elizabeth , Singh Kamal , de Magalhães João Pedro , Benfeitas Rui , Neogi Ujjwal
Published: January 2022

Despite successful combination antiretroviral therapy (cART), persistent low-grade immune activation together with inflammation and toxic antiretroviral drugs can lead to long-lasting metabolic flexibility and adaptation in people living with HIV (PLWH). Our study investigated alterations in the plasma metabolic profiles by comparing PLWH on long-term cART(>5 years) and matched HIV-negative controls (HC) in two cohorts from low- and middle-income countries (LMIC), Cameroon, and India, respectively, to understand the system-level dysregulation in HIV-infection. Using untargeted and targeted LC-MS/MS-based metabolic profiling and applying advanced system biology methods, an altered amino acid metabolism, more specifically to glutaminolysis in PLWH than HC were reported. A significantly lower level of neurosteroids was observed in both cohorts and could potentiate neurological impairments in PLWH. Further, modulation of cellular glutaminolysis promoted increased cell death and latency reversal in pre-monocytic HIV-1 latent cell model U1, which may be essential for the clearance of the inducible reservoir in HIV-integrated cells.
GSNOR regulates ganoderic acid content in Ganoderma lucidum under heat stress through S-nitrosylation of catalase
Authors: Liu Rui , Zhu Ting , Chen Xin , Wang Zi , Yang Zhengyan , Ren Ang , Shi Liang , Yu Hanshou , Zhao Mingwen
Published: January 2022

As a master regulator of the balance between NO signaling and protein S-nitrosylation, S-nitrosoglutathione (GSNO) reductase (GSNOR) is involved in various developmental processes and stress responses. However, the proteins and specific sites that can be S-nitrosylated, especially in microorganisms, and the physiological functions of S-nitrosylated proteins remain unclear. Herein, we show that the ganoderic acid (GA) content in GSNOR-silenced (GSNORi) strains is significantly lower (by 25%) than in wild type (WT) under heat stress (HS). Additionally, silencing GSNOR results in an 80% increase in catalase (CAT) activity, which consequently decreases GA accumulation via inhibition of ROS signaling. The mechanism of GSNOR-mediated control of CAT activity may be via protein S-nitrosylation. In support of this possibility, we show that CAT is S-nitrosylated (as shown via recombinant protein in vitro and via GSNORi strains in vivo). Additionally, Cys (cysteine) 401, Cys642 and Cys653 in CAT are S-nitrosylation sites (assayed via mass spectrometry analysis), and Cys401 may play a pivotal role in CAT activity. These findings indicate a mechanism by which GSNOR responds to stress and regulates secondary metabolite content through protein S-nitrosylation. Our results also define a new S-nitrosylation site and the function of an S-nitrosylated protein regulated by GSNOR in microorganisms.
The metabolic stress-activated checkpoint LKB1-MARK3 axis acts as a tumor suppressor in high-grade serous ovarian carcinoma
Authors: Machino Hidenori , Kaneko Syuzo , Komatsu Masaaki , Ikawa Noriko , Asada Ken , Nakato Ryuichiro , Shozu Kanto , Dozen Ai , Sone Kenbun , Yoshida Hiroshi , Kato Tomoyasu , Oda Katsutoshi , Osuga Yutaka , Fujii Tomoyuki , von Keudell Gottfried , Saloura Vassiliki , Hamamoto Ryuji
Published: January 2022

High-grade serous ovarian carcinoma (HGSOC) is the most aggressive gynecological malignancy, resulting in approximately 70% of ovarian cancer deaths. However, it is still unclear how genetic dysregulations and biological processes generate the malignant subtype of HGSOC. Here we show that expression levels of microtubule affinity-regulating kinase 3 (MARK3) are downregulated in HGSOC, and that its downregulation significantly correlates with poor prognosis in HGSOC patients. MARK3 overexpression suppresses cell proliferation and angiogenesis of ovarian cancer cells. The LKB1-MARK3 axis is activated by metabolic stress, which leads to the phosphorylation of CDC25B and CDC25C, followed by induction of G2/M phase arrest. RNA-seq and ATAC-seq analyses indicate that MARK3 attenuates cell cycle progression and angiogenesis partly through downregulation of AP-1 and Hippo signaling target genes. The synthetic lethal therapy using metabolic stress inducers may be a promising therapeutic choice to treat the LKB1-MARK3 axis-dysregulated HGSOCs.
Thermal synthesis of conversion-type bismuth fluoride cathodes for high-energy-density Li-ion batteries
Authors: Baumgärtner Julian F. , Krumeich Frank , Wörle Michael , Kravchyk Kostiantyn V. , Kovalenko Maksym V.
Published: January 2022

Towards enhancement of the energy density of Li-ion batteries, BiF3 has recently attracted considerable attention as a compelling conversion-type cathode material due to its high theoretical capacity of 302 mAh g−1, average discharge voltage of ca. 3.0 V vs. Li+/Li, the low theoretical volume change of ca. 1.7% upon lithiation, and an intrinsically high oxidative stability. Here we report a facile and scalable synthesis of phase-pure and highly crystalline orthorhombic BiF3via thermal decomposition of bismuth(III) trifluoroacetate at T = 300 °C under inert atmosphere. The electrochemical measurements of BiF3 in both carbonate (LiPF6-EC/DMC)- and ionic liquid-based (LiFSI-Pyr1,4TFSI) Li-ion electrolytes demonstrated that ionic liquids improve the cyclic stability of BiF3. In particular, BiF3 in 4.3 M LiFSI-Pyr1,4TFSI shows a high initial capacity of 208 mA g−1 and capacity retention of ca. 50% over at least 80 cycles at a current density of 30 mA g−1.
Unified energy law for fluctuating density wave orders in cuprate pseudogap phase
Authors: Li Rong , She Zhen-Su
Published: January 2022

The quantum origin of the cuprate pseudogap is a central conundrum of condensed matter physics. Although many symmetry-broken scenarios were previously proposed, universal quantitative relationships have been rarely studied. Here, we report a unified energy law underlying the pseudogap, which determines the scattering rate, pseudogap energy, and its onset temperature, with a quadratic scaling of the wavevector of density wave order (DWO). The law is validated by data from over one hundred samples, and a further prediction that the master order of pseudogap transforms from fluctuating spin to charge DWO is also confirmed. Furthermore, the energy law enables our derivation of the well-known linear scalings for the resistivity of the strange metal phase and the transition temperature of the superconducting phase. Finally, it is concluded that fluctuating orders provide a critical bridge linking microscopic spectra to macroscopic transport, showing promise for the quantification of other strongly correlated materials.
Non-zero Yarkovsky acceleration for near-Earth asteroid (99942) Apophis
Authors: Pérez-Hernández Jorge A. , Benet Luis
Published: January 2022

The leading source of uncertainty to predict the orbital motion of asteroid (99942) Apophis is a non-gravitational acceleration arising from the anisotropic thermal re-emission of absorbed radiation, known as the Yarkovsky effect. Previous attempts to obtain this parameter from astrometry for this object have only yielded marginally small values, without ruling out a pure gravitational interaction. Here we present an independent estimation of the Yarkovsky effect based on optical and radar astrometry which includes observations obtained during 2021. Our numerical approach exploits automatic differentiation techniques. We find a non-zero Yarkovsky parameter, A2 = (−2.899 ± 0.025) × 10−14 au d−2, with induced semi-major axis drift of (−199.0 ± 1.5) m yr−1 for Apophis. Our results provide definite collision probability predictions for the close approaches in 2029, 2036, and 2068.
Sustained coral reef growth in the critical wave dissipation zone of a Maldivian atoll
Authors: Kench Paul S. , Beetham Edward P. , Turner Tracey , Morgan Kyle M. , Owen Susan D. , McLean Roger. F.
Published: January 2022

Sea-level rise is expected to outpace the capacity of coral reefs to grow and maintain their wave protection function, exacerbating coastal flooding and erosion of adjacent shorelines and threatening coastal communities. Here we present a new method that yields highly-resolved direct measurements of contemporary reef accretion on a Maldivian atoll reef rim, the critical zone that induces wave breaking. Results incorporate the suite of physical and ecological processes that contribute to reef accumulation and show growth rates vary from 6.6 ± 12.5 mm.y−1 on the reef crest, and up to 3.1 ± 10.2 mm.y−1, and −0.5 ± 1.8 mm.yr−1 on the outer and central reef flat respectively. If these short-term results are maintained over decades, the reef crest could keep pace with current sea-level rise. Findings highlight the need to resolve contemporary reef accretion at the critical wave dissipation zone to improve predictions of future reef growth, and re-evaluate exposure of adjacent shorelines to coastal hazards.
A novel label-free electrochemiluminescence aptasensor using a tetrahedral DNA nanostructure as a scaffold for ultrasensitive detection of organophosphorus pesticides in a luminol–H2O2 system
Authors: Yang Fengzhen , Li Jiansen , Dong Haowei , Wang Guanjie , Han Jie , Xu Rui , Kong Qianqian , Huang Jingcheng , Xiang Yaodong , Yang Qingqing , Sun Xia , Guo Yemin
Published: January 2022

In this work, a new type of Au-tetrahedral DNA nanostructure (Au-TDN) was originally proposed and successfully applied in an electrochemiluminescence aptasensor to detect organophosphorus pesticides (Ops).
Recent advances in the pre-oxidation process in electrocatalytic urea oxidation reactions
Authors: Sun Wenbin , Li Jiechen , Gao Wen , Kang Luyao , Lei Fengcai , Xie Junfeng
Published: January 2022

In this feature article, we discuss the significant role of the pre-oxidation reaction during urea electro-oxidation, and summarize the detailed strategies and recent advances in promoting the pre-oxidation reaction.
Diastereoselective access to [4,4]-carbospirocycles: governance of thermodynamic enolates with an organocatalyst in vinylogous cascade annulation
Authors: Bhajammanavar Vinod , Mallik Sumitava , Choutipalli Venkata Surya Kumar , Subramanian Venkatesan , Baidya Mahiuddin
Published: January 2022

A vinylogy concept driven highly diastereoselective cascade protocol towards [4,4]-carbospirocycles is developed by leveraging a spiro-annulation reaction through the thermodynamic enolate under organocatalysis.
Copper-catalyzed C–H/N–H annulation of enaminones and alkynyl esters for densely substituted pyrrole synthesis
Authors: Fu Leiqing , Wan Jie-Ping , Zhou Liyun , Liu Yunyun
Published: January 2022

The synthesis of 2-vinyl pyrroles has been achieved via copper-catalyzed cascade reactions of enaminones and alkyl propiolates. The synthesis of 2,3-dicarboxylate-functionalized products has been tuned by using internal alkynyl dicarboxylates.
An acid-promoted pseudocine substitution manifold of γ-aminocyclopentenone enables divergent access to polycyclic indole derivatives
Authors: Mondal Biplab , Jagadeesh Chenna , Das Dinabandhu , Saha Jaideep
Published: January 2022

Design and development of an acid-promoted pseudocine-substitution–annulation manifold for β,γ-annulated cyclopentanoids or indole-based polycyclic architectures.
Hydroxyl-assisted iodine ions intercalating Bi2O2CO3 nanosheets to construct an interlayered bridge for enhanced photocatalytic degradation of phenols
Authors: Li Jinbo , Wu Zhaohui , Zhang Shumin , Xu Kaiqiang , Ma Nan , Feng Wenhui , Wu Min , Xu Difa , Zhang Shiying , Shen Jie
Published: January 2022

Promoting the charge migration and separation efficiency of iodine-intercalated Bi2O2CO3 is an appealing strategy to improve its photocatalytic performance.
Growth, spectra and continuous-wave 2.1 μm laser operation of a Ho3+-doped bismuth silicate crystal
Authors: Zhang Yan , Gong Zhen , Duan Xiaoming , Yuan Junping , Xu Jiayue , Ma Yunfeng , Shen Yingje
Published: January 2022

A Ho3+:BSO crystal was grown using the Bridgman method. The 2.1 μm CW laser of the crystal was demonstrated.
Microcrystalline solid–solid transformations of conformationally-responsive solvates, desolvates and a salt of N,N′-(1,4-phenylene)dioxalamic acid: the energetics of hydrogen bonding and n/π → π* interactions
Authors: Morales-Santana Marcos , Chong-Canto Sayuri , Santiago-Quintana José Martín , Martínez-Martínez Francisco J. , García-Báez Efrén V. , Cruz Alejandro , Rojas-Lima Susana , Padilla-Martínez Itzia I.
Published: January 2022

The supramolecular structures of H2pOx·2S (S = DMSO, DMF, ⅓(MeOH·2W), W) solvates were stablished. The energetics of amide N–H⋯O and n/π → π* interactions maintain the crystal network and the reversibility between polymorphs.
Syntheses, structures and optical properties of two B3O7 cluster-based borates
Authors: Chen Chong-An , Yang Guo-Yu
Published: January 2022

1 is a 2D fluctuant layered borate made from two different B3O7 clusters. 2 features a 3D open framework with large 17-MR channels filled with Li-BO(OH)2-Ca chains.
Liquid phase IR-MALDI and differential mobility analysis of nano- and sub-micron particles
Authors: Prüfert C. , Villatoro J. , Zühlke M. , Beitz T. , Löhmannsröben H.-G.
Published: January 2022

Infrared matrix-assisted desorption and ionization (IR-MALDI) enables the transfer of sub-micron particles (sMP) directly from suspensions into the gas phase and their characterization with differential mobility (DM) analysis.
Influence of the interface structure and strain on the rectification performance of lateral MoS2/graphene heterostructure devices
Authors: Song Shun , Gong Jian , Jiang Xiangwei , Yang Shenyuan
Published: January 2022

We systematically study the influence of interface configuration and strain on the electronic and transport properties of lateral MoS2/graphene heterostructures by first-principles calculations and quantum transport simulations.
Multi-resolution simulation of DNA transport through large synthetic nanostructures
Authors: Choudhary Adnan , Maffeo Christopher , Aksimentiev Aleksei
Published: January 2022

A new combination of coarse-grained modeling and finite element calculations enable rapid and accurate characterization of DNA transport through nanostructures of diverse geometries.
Electron correlation effects in boron clusters BQn (for Q = −1, 0, 1 and n ≤ 13) based on quantum Monte Carlo simulations
Authors: Moreira E. M. Isaac , Brito B. G. A. , Hai G.-Q. , Cândido L.
Published: January 2022

We present all-electron quantum Monte Carlo simulations on the anionic, neutral, and cationic boron clusters BQn with up to 13 atoms (Q = −1, 0, +1 and n ≤ 13).
Wafer-scale single-orientation 2D layers by atomic edge-guided epitaxial growth
Authors: Wan Yi , Fu Jui-Han , Chuu Chih-Piao , Tung Vincent , Shi Yumeng , Li Lain-Jong
Published: January 2022

We provide a systematic summary of the critical factors—including crystal/substrate symmetry and energy consideration—necessary for synthesizing single-orientation 2D layers.
Gold-catalyzed thioetherification of allyl, benzyl, and propargyl phosphates
Authors: Miura Hiroki , Toyomasu Tomoya , Nishio Hidenori , Shishido Tetsuya
Published: January 2022

Supported gold catalysts showed high activity for thioetherification of various phosphates. The surface of gold nanoparticles supported on ZrO2 served as a source for active cationic Au species.
On the magnetic structure and magnetic behaviour of the most distorted member of the series of RNiO3 perovskites (R = Lu)
Authors: Serrano-Sánchez Federico , Fernández-Díaz María Teresa , Martínez José Luis , Alonso José Antonio
Published: January 2022

The magnetic structure determined from neutron diffraction data is indexed with a propagation vector k = (½, 0, ½). It is non-collinear, with two different moments at Ni1 and Ni2 sites, 1.4(1) μB, and 0.7(1) μB at 2 K, lying on the a–c plane.
Quadrol-Pd(ii) complexes: phosphine-free precatalysts for the room-temperature Suzuki–Miyaura synthesis of nucleoside analogues in aqueous media
Authors: Serrano José Luis , Gaware Sujeet , Pérez Jose Antonio , Pérez José , Lozano Pedro , Kori Santosh , Dandela Rambabu , Sanghvi Yogesh S. , Kapdi Anant R.
Published: January 2022

Quadrol begins a new as hydrophilic ligand for Pd-catalyzed Suzuki nucleoside modification in water, promoting a room temperature unseen protocol.
Tailoring of a highly stable Mn1−x−y(CexLay)O2−δ pseudocapacitor thin-film and rare earth oxide nanospheres through selective purification of rare earth oxides derived from Ni–MH batteries
Authors: Maroufi Samane , Mofarah Sajjad S. , Khayyam Nekouei Rasoul , Sahajwalla Veena
Published: January 2022

High-yield fabrication of two value-added functional nanostructures including a defect-rich Mn1−x−y(CexLay)O2−δ film and rare earth oxide (REO) nanospheres via selective purification of REO isolated from end-of-life nickel–metal hydride batteries.
Characterization of interconnectivity of gelatin methacrylate hydrogels using photoacoustic imaging
Authors: Zhao Wenxiu , Yu Haibo , Ge Zhixing , Wang Xiaoduo , Zhang Yuzhao , Wen Yangdong , Luo Hao , Liu Lianqing , Li Wen Jung
Published: January 2022

We developed a photoacoustic (PA) method for noninvasively characterizing the interconnection of porous hydrogels.
Novel TiO2/TPU composite fiber-based smart textiles for photocatalytic applications
Authors: Zhang Jing , Li Xuan , Guo Jian , Zhou Gengheng , Xiang Li , Wang Shuguang , He Zuoli
Published: January 2022

The TiO2/TPU fiber shows excellent mechanical and photocatalytic performance, which opens a new avenue to overcome the separation and recovery problems from solutions during practical applications of nanostructured catalysts.
Nine new dihydro-β-agarofuran sesquiterpene polyesters from the leaves of Tripterygium wilfordii
Authors: Zhou Le , Bai Ming , He Qing-Jun , Hou Zi-Lin , Lu Li-Wei , Wang Jie , Huang Xiao-Xiao , Lin Bin , Song Shao-Jiang
Published: January 2022

Nine previously undescribed dihydro-β-agarofuran type sesquiterpene polyesters, tripteresters A–I (1–9) were isolated from the leaves of Tripterygium wilfordii.
UV-Vis-NIR full-range-responsive carbon-rich carbon nitride nanotubes for enhanced photocatalytic performance
Authors: Xu Fan , Yao Qi , Zhang Yan , Mo Zhao , Yuan Junjie , Chen Hanxiang , Song Yanhua , Ji Hongbing , Li Huaming , Xu Hui
Published: January 2022

The light absorption range of “Red” carbon-rich g-C3N4 nanotubes (R-CN) is extended to the near-infrared region, and R-CN shows excellent performance in the degradation of pollutant bisphenol A (BPA) and in photocatalytic hydrogen evolution.
A Li-based MOF-derived multifunctional PEO polymer solid-state electrolyte for lithium energy storage
Authors: Han Xiang , Wu Tiantian , Gu Lanhui , Tian Dan
Published: January 2022

A Li-based MOF has been successfully synthesized and applied in a solid-state lithium energy storage system. The MOF filler is added into the PEO-LiTFSI electrolyte, which exhibits both the mechanical strength and the ionic conductivity increase.
BF3·OEt2 catalyzed synthesis of functionalized 9-fluorene-9-ylidene appended quinazolin-4-ones
Authors: Athira Mohanakumaran , Smile Suresh Snoxma , Shanmugam Ponnusamy
Published: January 2022

An efficient method for the construction of the quinazolinone skeleton from the reaction of 9-(phenylethynyl)-9H-fluoren-9-ols with substituted 2-aminobenzamides catalyzed by boron trifluoride is achieved.
Regioselective installation of enolizable ketones and unprotected mercaptoacetic acid into olefins using GO as a phase transfer catalyst
Authors: Shukla Prashant , Singh Manorama , Rai Vijai K. , Rai Ankita
Published: January 2022

Unprecedented regioselective conjugate addition of enolizable ketones and unprotected mercaptoacetic acid to electron poor alkenes using GO as a phase transfer catalyst is reported in excellent yield of products (up to 92%) and recyclability of the catalyst up to five times.
Harmonious K–I–O co-modification of g-C3N4 for improved charge separation and photocatalysis
Authors: Kang Shifei , Zhang Zhihao , He Maofen , Fang Zirou , Sun Di , Zheng Lulu , Chang Xijiang , Cui Lifeng
Published: January 2022

Potassium iodate (KIO3), an edible salt additive, was used as a critical waste-free modifier in the thermal polymerization of g-C3N4, leading to the harmonious K–I–O co-modification of g-C3N4 for a boosted charge separation and photocatalytic performance.
Urchin-like hollow SiO2@γ-MnO2 microparticles for the rapid degradation of organic dyes
Authors: Li Zhuo-Rui , Zhang Xiao-Hui , Du Yue-Yue , Han Guo-Zhi
Published: January 2022

In this paper, using hollow silica microspheres as carrier, we developed a facile method for preparation of a novel kind of hollow urchin-like SiO2@γ-MnO2 microparticles with excellent performance for rapid oxidation degradation of organic dyes.
Solution combustion synthesis of Ni-based hybrid metal oxides for oxygen evolution reaction in alkaline medium
Authors: Abu Hatab Aymen S. , Ahmad Yahia H. , Abdul Rahman Mohd B. , Al-Qaradawi Siham Y.
Published: January 2022

Ni-based mixed transition metal oxides (MTMO) (NixM1−xOy) were synthesized using the solution combustion synthesis (SCS), and investigated as electrocatalysts towards oxygen evolution reaction (OER) in alkaline medium.
Anaerobic oxidation of aldehydes to carboxylic acids under hydrothermal conditions
Authors: Liao Yiju , Aspin Alexandria , Yang Ziming
Published: January 2022

Efficient anaerobic oxidation of aldehydes using iron(iii) nitrate under hydrothermal conditions is reported.
Accurate predictions of the electronic excited states of BODIPY based dye sensitizers using spin-component-scaled double-hybrid functionals: a TD-DFT benchmark study
Authors: Alkhatib Qabas , Helal Wissam , Marashdeh Ali
Published: January 2022

The excitation energies of 13 BODIPY dye sensitizers are benchmarked by means of TD-DFT, using 36 functionals. Spin-component-scaled double-hybrid (DSD) functionals are found to show the best performance.
Multi-scale reactive extrusion modelling approaches to design polymer synthesis, modification and mechanical recycling
Authors: De Smit Kyann , Wieme Tom , Marien Yoshi W. , Van Steenberge Paul H. M. , D'hooge Dagmar R. , Edeleva Mariya
Published: January 2022

Reactive extrusion (REX) is an important processing and production technique with applications in the field of polymer synthesis, modification and recycling.
Flow driven vesicle unbinding under mechanosensitive adhesion
Authors: Rizvi Mohd Suhail , Farutin Alexander , Misbah Chaouqi
Published: January 2022

Ligand receptor bonds play central role in biological adhesion. Flow driven detachment of vesicle is dependent not only on the flow rate but also the time scale of ligand-receptor bond kinetics.
Thermoelectric properties of organic charge transfer salts from first-principles investigations: role of molecular packing and triiodide anions
Authors: Wang Yishan , Zhao Meng , Zhao Hu , Li Shuzhou , Zhu Jia , Fang Weihai
Published: January 2022

Our work indicates that the decoupling relationship and distinctive temperature dependence of thermoelectric parameters can be obtained by regulating molecular arrangements and electronic structures of charge-transfer salts.
Thermally activated delayed fluorescence in an optically accessed soft matter environment
Authors: Micheva Maria , Baluschev Stanislav , Landfester Katharina
Published: January 2022

The experimental requirements for reproducible, all-optical and minimally invasive temperature sensing, based on the temperature dependence of the triplet–triplet annihilation photon upconversion (TTA–UC) in a soft matter environment are reviewed.
Nickel cobaltite/multi-walled carbon nanotube flexible sensor for the electrochemical detection of dopamine released by human neural cells
Authors: Poolakkandy Rasha Rahman , Neelakandan Annamalai Ramalakshmi , Puthiyaparambath Muhammed Fasil , Krishnamurthy Rajanikant Golgodu , Chatanathodi Raghu , Menamparambath Mini Mol
Published: January 2022

An all-integrated flexible sensor is fabricated using a readily synthesizable nickel cobaltite/MWCNT composite. The utility of the sensor is demonstrated by its electrochemical detection of dopamine released by the human neural cells.
Proteomic analysis in primary T cells reveals IL-7 alters T cell receptor thresholding via CYTIP/cytohesin/LFA-1 localisation and activation
Authors: Queiroz Rayner M. L. , Piper Siân C. , Rees Johanna S. , Strickson Sam , Briend Emmanuel , Low Choon Pei , Ferguson G. John , Lilley Kathryn S. , Jackson Antony P. , Finch Donna K.
Published: January 2022

The ability of the cellular immune system to discriminate self from foreign antigens depends on the appropriate calibration of the T cell receptor (TCR) signalling threshold. The lymphocyte homeostatic cytokine interleukin 7 (IL-7) is known to affect TCR thresholding, but the molecular mechanism is not fully elucidated. A better understanding of this process is highly relevant in the context of autoimmune disease therapy and cancer immunotherapy. We sought to characterise the early signalling events attributable to IL-7 priming; in particular, the altered phosphorylation of signal transduction proteins and their molecular localisation to the TCR. By integrating high-resolution proximity- phospho-proteomic and imaging approaches using primary T cells, rather than engineered cell lines or an in vitro expanded T cell population, we uncovered transduction events previously not linked to IL-7. We show that IL-7 leads to dephosphorylation of cytohesin interacting protein (CYTIP) at a hitherto undescribed phosphorylation site (pThr280) and alters the co-localisation of cytohesin-1 with the TCR and LFA-1 integrin. These results show that IL-7, acting via CYTIP and cytohesin-1, may impact TCR activation thresholds by enhancing the co-clustering of TCR and LFA-1 integrin.
TAT–RHIM: a more complex issue than expected
Authors: Kolbrink Benedikt , Riebeling Theresa , Teiwes Nikolas K. , Steinem Claudia , Kalbacher Hubert , Kunzendorf Ulrich , Krautwald Stefan
Published: January 2022

Murine cytomegalovirus protein M45 contains a RIP homotypic interaction motif (RHIM) that is sufficient to confer protection of infected cells against necroptotic cell death. Mechanistically, the N-terminal region of M45 drives rapid self-assembly into homo-oligomeric amyloid fibrils, and interacts with the endogenous RHIM domains of receptor-interacting serine/threonine protein kinases (RIPK) 1, RIPK3, Z-DNA-binding protein 1, and Toll/interleukin-1 receptor domain-containing adaptor-inducing interferon-β. Remarkably, all four aforementioned mammalian proteins harbouring such a RHIM domain are key components of inflammatory signalling and regulated cell death (RCD) processes. Immunogenic cell death by regulated necrosis causes extensive tissue damage in a wide range of diseases, including ischaemia reperfusion injury, myocardial infarction, sepsis, stroke, and solid organ transplantation. To harness the cell death suppression properties of M45 protein in a therapeutically usable manner, we developed a synthetic peptide encompassing only the RHIM domain of M45. To trigger delivery of RHIM into target cells, we fused the transactivator protein transduction domain of human immunodeficiency virus 1 to the N-terminus of the peptide. The fused peptide could efficiently penetrate eukaryotic cells, but unexpectedly it eradicated or destroyed all tested cancer cell lines and primary cells irrespective of species without further stimulus through a necrosis-like cell death. Typical inhibitors of different forms of RCD cannot impede this process, which appears to involve a direct disruption of biomembranes. Nevertheless, our finding has potential clinical relevance; reliable induction of a necrotic form of cell death distinct from all known forms of RCD may offer a novel therapeutic approach to combat resistant tumour cells.
Chemogenetic approaches to dissect the role of H2O2 in redox-dependent pathways using genetically encoded biosensors
Authors: Ghaffari Zaki Asal , Erdoğan Yusuf C. , Akgul Caglar Tuba , Eroglu Emrah
Published: January 2022

Chemogenetic tools are recombinant enzymes that can be targeted to specific organelles and tissues. The provision or removal of the enzyme substrate permits control of its biochemical activities. Yeast-derived enzyme D-amino acid oxidase (DAAO) represents the first of its kind for a substrate-based chemogenetic approach to modulate H2O2 concentrations within cells. Combining these powerful enzymes with multiparametric imaging methods exploiting genetically encoded biosensors has opened new lines of investigations in life sciences. In recent years, the chemogenetic DAAO approach has proven beneficial to establish a new role for (patho)physiological oxidative stress on redox-dependent signaling and metabolic pathways in cultured cells and animal model systems. This mini-review covers established or emerging methods and assesses newer approaches exploiting chemogenetic tools combined with genetically encoded biosensors.
Structure-based inhibitor design and repurposing clinical drugs to target SARS-CoV-2 proteases
Authors: Narayanan Anoop , Toner Shay A. , Jose Joyce
Published: January 2022

SARS-CoV-2, the coronavirus responsible for the current COVID-19 pandemic, encodes two proteases, 3CLpro and PLpro, two of the main antiviral research targets. Here we provide an overview of the structures and functions of 3CLpro and PLpro and examine strategies of structure-based drug designing and drug repurposing against these proteases. Rational structure-based drug design enables the generation of potent and target-specific antivirals. Drug repurposing offers an attractive prospect with an accelerated turnaround. Thus far, several protease inhibitors have been identified, and some candidates are undergoing trials that may well prove to be effective antivirals against SARS-CoV-2.
Sensor fault detection for dynamic point‐the‐bit rotary steerable system via finite‐frequency domain observer and zonotope residual evaluation
Authors: Wang Weiliang , Geng Yanfeng , Cheng Minbiao , Sun Jian , Sheng Li
Published: January 2022

In this paper, the sensor fault detection (FD) problem is investigated for the dynamic point‐the‐bit rotary steerable system (DPRSS), which is known as state‐of‐the‐art oil drilling equipment. Firstly, the DPRSS dynamic is modelled as a linear system with drilling disturbances, which consists of model perturbations, measurement disturbances, and unknown inputs. Secondly, the finite‐frequency unknown input observer is proposed to generate the residual, which is sensitive to sensor faults and robust against drilling disturbances. Subsequently, considering model perturbations and measurement disturbances, the zonotope‐based residual evaluation method is presented, and the FD decision‐making logic is designed based on the calculated residual bounds. Finally, numerical simulations and prototype experiments are provided to illustrate the effectiveness of the proposed sensor FD mechanism.
Temporal‐enhanced graph convolution network for skeleton‐based action recognition
Authors: Xie Yulai , Zhang Yang , Ren Fang
Published: January 2022

Graph convolution networks (GCNs) have drawn attention for skeleton‐based action recognition. They have achieved remarkable performance by adaptively learning spatial features of human action dynamics. However, the existing methods are limited in temporal sequence modelling of human actions. To give adequate consideration to temporal factors in action modelling, a novel temporal‐enhanced graph convolution network is presented. First, a Causal Convolution layer is introduced to ensure no future information leakage at each time step for keeping ordering information of inputs. Second, a novel cross‐spatial‐temporal graph convolution layer that extends an adaptive graph from the spatial to the temporal domain to capture local cross‐spatial‐temporal dependencies among joints is presented. Third, a temporal attention layer is designed to enhance the modelling capability of long‐range temporal dependencies, helping the network to directly focus on important time steps. Experimental results on three large‐scale datasets, NTU‐RGB + D, Kinetics‐Skeleton, and UAV‐Human, indicate that the authors’ network achieves accuracy improvement with better generalisation capability over previous methods. The authors’ code and data are available at https://github.com/xieyulai/TE‐GCN.
Electric theft detection in advanced metering infrastructure using Jaya optimized combined Kernel‐Tree boosting classifier—A novel sequentially executed supervised machine learning approach
Authors: Hussain Saddam , Mustafa Mohd. Wazir , Ateyeh Al‐Shqeerat Khalil Hamdi , Saleh Al‐rimy Bander Ali , Saeed Faisal
Published: January 2022

This paper presents a novel, sequentially executed supervised machine learning‐based electric theft detection framework using a Jaya‐optimized combined Kernel and Tree Boosting (KTBoost) classifier. It utilizes the intelligence of the XGBoost algorithm to estimate the missing values in the acquired dataset during the data pre‐processing phase. An oversampling algorithm based on the Robust‐SMOTE technique is utilized to avoid the unbalanced data class distribution issue. Afterward, with the aid of few very significant statistical, temporal, and spectral features extracted from the acquired kWh dataset, the complex underlying data patterns are comprehended to enhance the accuracy and detection rate of the classifier. For effectively classifying the consumers into “Honest” and “Fraudster,” the ensemble machine learning‐based classifier KTBoost, with Jaya algorithm optimized hyperparameters, is utilized. Finally, the developed model is re‐trained using a reduced set of highly important features to minimize the computational resources without compromising the performance of the developed model. The outcome of this study reveals that the proposed theft detection method achieves the highest accuracy (93.38%), precision (95%), and recall (93.18%) among all the studied methods, thus signifying its importance in the studied area of research.
Parallel electromagnetic transient simulation of power systems with a high proportion of renewable energy based on latency insertion method
Authors: Wang Qiguo , Xu Jin , Wang Keyou , Wu Pan , Chen Weiran , Li Zirun
Published: January 2022

With the interconnection of regional grids and the increasing penetration of renewable energy, the order of the power system model is getting higher and higher, which brings great challenges to the accuracy and real‐time performance of electromagnetic transient (EMT) simulation. The simulation of power systems with a high proportion of renewable energy requires a sharp increase in the performance of the hardware platform and the parallelism of the simulation algorithm. To solve this problem, the paper proposes a fine‐grained parallel modelling method for power systems with a high proportion of renewable energy, which is inspired by the latency insertion method used in the design of large‐scale integrated circuits. And this method is implemented on GPU to achieve the component‐level and device‐level parallelized simulation of power systems with a high proportion of renewable energy. Finally, the correctness of the proposed algorithm and the CPU‐GPU cooperative architecture is verified based on an improved 118‐bus case. The cascade system of the improved 9‐bus case is used as an example to verify the superiority of the proposed algorithm in terms of simulation efficiency.
Novel power electronic device for power angle stability control
Authors: Li Hui , Li Yifan , Huang Shaofeng , Li Huigen
Published: January 2022

This letter proposes a novel phase sequence exchange (PSE) device. When the generator loses synchronization and the power angle gradually increases, the primary side of the contact line is disconnected and quickly connected in a staggered phase using the power device with fast breaking characteristics. The three phases A, B, and C of the generator are connected to the systems C, A, and B. The power angle can be reduced by 120° instantaneously, thereby reducing system instability. First, the mechanism of the PSE device stability control is explained and the optimal PSE power angle threshold is calculated. After that, the structure and working process of the PSE device were proposed, the PSE prototype was manufactured, and an experimental platform was built for verification. Finally, a control method of the PSE device is proposed to reduce the impact and verified on the experimental platform.
Doubly heavy baryons in Born-Oppenheimer EFT
Authors: Tarrús Castellà Jaume
Published: January 2022

We report on the recent progress on the computation of the doubly heavy baryon spectrum in effective field theory. The effective field theory is built upon the heavy-quark mass and adiabatic expansions. The potentials can be expressed as NRQCD Wilson loops with operator insertions. These are nonperturbative objects and so far only the one corresponding to the static potential has been computed with lattice QCD. We review the proposal for a parametrization of the potentials based in an interpolation between the shortand long-distance regimes. The long-distance description is obtained with a newly proposed Effective String Theory which coincides with the previous ones for pure gluodynamics but it is extended to contain a fermion field. We show the doubly heavy baryon spectrum with hyperfine contributions obtained using these parametrizations for the hyperfine potentials.
Long and short distance behavior of the imaginary part of the heavy-quark potential
Authors: Boguslavski Kirill , Kasmaei Babak , Strickland Michael
Published: January 2022

The imaginary part of the effective heavy-quark potential can be related to the total in-medium decay width of of heavy quark-antiquark bound states. We extract the static limit of this quantity using classical-statistical simulations of the real-time Yang-Mills dynamics by measuring the temporal decay of Wilson loops. By performing the simulations on finer and larger lattices we are able to show that the nonperturbative results follow the same form as the perturbative ones. For large quark-antiquark separations, we quantify the magnitude of the non-perturbative long-range corrections to the imaginary part of the heavy-quark potential. We present our results for a wide range of temperatures, lattice spacings, and lattice volumes. We also extract approximations for the short-distance behavior of the classical potential.
Non-perturbative phenomena in jet modification
Authors: Moore Guy D. , Schlichting Sören , Schlusser Niels , Soudi Ismail
Published: January 2022

The interaction of a jet with the medium created in heavy-ion collisions is not yet fully understood from a QCD perspective. This is mainly due to the non-perturbative nature of this interaction which affects both transverse jet momentum broadening and jet quenching. We discuss how lattice simulations of Electrostatic QCD, can be matched to full, four dimensional QCD, to determine non-perturbative contributions to the momentum broadening kernel. We determine the momentum broadening kernel in impact parameter and momentum space and finally show how these results can be used in phenomenological calculations of in-medium splitting rates.
Improving the cold quark-matter pressure via soft interactions at N3LO
Authors: Gorda Tyler
Published: January 2022

The propagation of long-wavelength gluons through a dense QCD medium at high baryon chemical potential μB is qualitatively modified by the effects of screening, arising from scatterings off the high-momentum quarks in the medium. This same screening phenomenon also impacts gluons occurring in loop corrections to the pressure of cold quark matter, leading to contributions from the parametric scale αs1/2μB, starting at next-to-next-to-leading order (N2LO) in the strong coupling constant αs. At next-to-next-to-next-to-leading order (N3LO), interactions between these long-wavelength gluonic modes contribute to the pressure. These interaction corrections have recently been computed in Ref [1, 2], and the inclusion of these interactions slightly improves the convergence of the equation of state of cold quark matter. In these proceedings, we present these results and provide details summarizing how this lengthy calculation was performed.
A road towards a beyond the Standard Model model
Authors: Rossi Giancarlo
Published: January 2022

In this talk we describe examples of renormalizable strongly interacting field theories where chiral symmetry, broken at the UV cutoff by the presence of some irrelevant d > 4 operators in the fundamental Lagrangian, is recovered at low energy owing to the tuning of certain Lagrangian parameters. The interference of UV effects with IR features coming from the spontaneous breaking of the recovered chiral symmetry yields non perturbatively generated elementary fermion masses parametrically expressed by formulae of the kind mq ~ Cq(α)ΛRGI with α the gauge coupling constant and ΛRGI the RGI scale of the theory. Upon introducing EW interactions, this mechanism can be extended to give mass to EW bosons and leptons and can thus be used as an alternative to the Higgs scenario. In order to give the top quark and the weak gauge bosons a mass of the phenomenologically correct order of magnitude, the model must necessarily include (yet unobserved) super-strongly interacting massive fermions endowed, besides ordinary Standard Model interactions, with super-strong interactions with a RGI scale, ΛT ΛQCD in the few TeV range. Though limited in its scope (here we ignore hypercharge and leptons and discuss only the case of one family neglecting weak isospin splitting), the model opens the way to a solution of the naturalness problem and an understanding of the fermion mass hierarchy.