bluuebunny/crossref_metadata_2025 huggingface dataset:
C(alkyl)–C(vinyl) bond cleavage enabled by Retro-Pallada-Diels-Alder reaction
Authors: Zhao Qingyang , Yu Le , Zhang Yao-Du , Guo Yong-Qiang , Chen Ming , Ren Zhi-Hui , Guan Zheng-Hui
Published: May 2023

Activation and cleavage of carbon–carbon (C–C) bonds is a fundamental transformation in organic chemistry while inert C–C bonds cleavage remains a long-standing challenge. Retro-Diels-Alder (retro-DA) reaction is a well-known and important tool for C–C bonds cleavage but less been explored in methodology by contrast to other strategies. Herein, we report a selective C(alkyl)–C(vinyl) bond cleavage strategy realized through the transient directing group mediated retro-Diels-Alder reaction of a six-membered palladacycle, which is obtained from an in situ generated hydrazone and palladium hydride species. This unprecedented strategy exhibits good tolerances and thus offers new opportunities for late-stage modifications of complex molecules. DFT calculations revealed that an intriguing retro-Pd(IV)-Diels-Alder process is possibly involved in the catalytic cycle, thus bridging both Retro-Diels-Alder reaction and C–C bond cleavage. We anticipate that this strategy should prove instrumental for potential applications to achieve the modification of functional organic skeletons in synthetic chemistry and other fields involving in molecular editing.
Symport and antiport mechanisms of human glutamate transporters
Authors: Qiu Biao , Boudker Olga
Published: May 2023

Excitatory amino acid transporters (EAATs) uptake glutamate into glial cells and neurons. EAATs achieve million-fold transmitter gradients by symporting it with three sodium ions and a proton, and countertransporting a potassium ion via an elevator mechanism. Despite the availability of structures, the symport and antiport mechanisms still need to be clarified. We report high-resolution cryo-EM structures of human EAAT3 bound to the neurotransmitter glutamate with symported ions, potassium ions, sodium ions alone, or without ligands. We show that an evolutionarily conserved occluded translocation intermediate has a dramatically higher affinity for the neurotransmitter and the countertransported potassium ion than outward- or inward-facing transporters and plays a crucial role in ion coupling. We propose a comprehensive ion coupling mechanism involving a choreographed interplay between bound solutes, conformations of conserved amino acid motifs, and movements of the gating hairpin and the substrate-binding domain.
Global green hydrogen-based steel opportunities surrounding high quality renewable energy and iron ore deposits
Authors: Devlin Alexandra , Kossen Jannik , Goldie-Jones Haulwen , Yang Aidong
Published: May 2023

The steel sector currently accounts for 7% of global energy-related CO2 emissions and requires deep reform to disconnect from fossil fuels. Here, we investigate the market competitiveness of one of the widely considered decarbonisation routes for primary steel production: green hydrogen-based direct reduction of iron ore followed by electric arc furnace steelmaking. Through analysing over 300 locations by combined use of optimisation and machine learning, we show that competitive renewables-based steel production is located nearby the tropic of Capricorn and Cancer, characterised by superior solar with supplementary onshore wind, in addition to high-quality iron ore and low steelworker wages. If coking coal prices remain high, fossil-free steel could attain competitiveness in favourable locations from 2030, further improving towards 2050. Large-scale implementation requires attention to the abundance of suitable iron ore and other resources such as land and water, technical challenges associated with direct reduction, and future supply chain configuration.
Chemical imaging reveals diverse functions of tricarboxylic acid metabolites in root growth and development
Authors: Zhang Tao , Noll Sarah E. , Peng Jesus T. , Klair Amman , Tripka Abigail , Stutzman Nathan , Cheng Casey , Zare Richard N. , Dickinson Alexandra J.
Published: May 2023

Understanding how plants grow is critical for agriculture and fundamental for illuminating principles of multicellular development. Here, we apply desorption electrospray ionization mass spectrometry imaging (DESI-MSI) to the chemical mapping of the developing maize root. This technique reveals a range of small molecule distribution patterns across the gradient of stem cell differentiation in the root. To understand the developmental logic of these patterns, we examine tricarboxylic acid (TCA) cycle metabolites. In both Arabidopsis and maize, we find evidence that elements of the TCA cycle are enriched in developmentally opposing regions. We find that these metabolites, particularly succinate, aconitate, citrate, and α-ketoglutarate, control root development in diverse and distinct ways. Critically, the developmental effects of certain TCA metabolites on stem cell behavior do not correlate with changes in ATP production. These results present insights into development and suggest practical means for controlling plant growth.
Re-convolving the compositional landscape of primary and recurrent glioblastoma reveals prognostic and targetable tissue states
Authors: Al-Dalahmah Osama , Argenziano Michael G. , Kannan Adithya , Mahajan Aayushi , Furnari Julia , Paryani Fahad , Boyett Deborah , Save Akshay , Humala Nelson , Khan Fatima , Li Juncheng , Lu Hong , Sun Yu , Tuddenham John F. , Goldberg Alexander R. , Dovas Athanassios , Banu Matei A. , Sudhakar Tejaswi , Bush Erin , Lassman Andrew B. , McKhann Guy M. , Gill Brian J. A. , Youngerman Brett , Sisti Michael B. , Bruce Jeffrey N. , Sims Peter A. , Menon Vilas , Canoll Peter
Published: May 2023

Glioblastoma (GBM) diffusely infiltrates the brain and intermingles with non-neoplastic brain cells, including astrocytes, neurons and microglia/myeloid cells. This complex mixture of cell types forms the biological context for therapeutic response and tumor recurrence. We used single-nucleus RNA sequencing and spatial transcriptomics to determine the cellular composition and transcriptional states in primary and recurrent glioma and identified three compositional ‘tissue-states’ defined by cohabitation patterns between specific subpopulations of neoplastic and non-neoplastic brain cells. These tissue-states correlated with radiographic, histopathologic, and prognostic features and were enriched in distinct metabolic pathways. Fatty acid biosynthesis was enriched in the tissue-state defined by the cohabitation of astrocyte-like/mesenchymal glioma cells, reactive astrocytes, and macrophages, and was associated with recurrent GBM and shorter survival. Treating acute slices of GBM with a fatty acid synthesis inhibitor depleted the transcriptional signature of this pernicious tissue-state. These findings point to therapies that target interdependencies in the GBM microenvironment.
Regional and global impact of CO2 uptake in the Benguela Upwelling System through preformed nutrients
Authors: Siddiqui Claire , Rixen Tim , Lahajnar Niko , Van der Plas Anja K. , Louw Deon C. , Lamont Tarron , Pillay Keshnee
Published: May 2023

Eastern Boundary Upwelling Systems (EBUS) are highly productive ecosystems. However, being poorly sampled and represented in global models, their role as atmospheric CO2 sources and sinks remains elusive. In this work, we present a compilation of shipboard measurements over the past two decades from the Benguela Upwelling System (BUS) in the southeast Atlantic Ocean. Here, the warming effect of upwelled waters increases CO2 partial pressure (pCO2) and outgassing in the entire system, but is exceeded in the south through biologically-mediated CO2 uptake through biologically unused, so-called preformed nutrients supplied from the Southern Ocean. Vice versa, inefficient nutrient utilization leads to preformed nutrient formation, increasing pCO2 and counteracting human-induced CO2 invasion in the Southern Ocean. However, preformed nutrient utilization in the BUS compensates with ~22–75 Tg C year−1 for 20–68% of estimated natural CO2 outgassing in the Southern Ocean’s Atlantic sector (~ 110 Tg C year−1), implying the need to better resolve global change impacts on the BUS to understand the ocean’s role as future sink for anthropogenic CO2.
Direct nucleophilic and electrophilic activation of alcohols using a unified boron-based organocatalyst scaffold
Authors: Rygus Jason P. G. , Hall Dennis G.
Published: May 2023

Organocatalytic strategies for the direct activation of hydroxy-containing compounds have paled in comparison to those applicable to carbonyl compounds. To this end, boronic acids have emerged as valuable catalysts for the functionalization of hydroxy groups in a mild and selective fashion. Distinct modes of activation in boronic acid-catalyzed transformations are often accomplished by vastly different catalytic species, complicating the design of broadly applicable catalyst classes. Herein, we report the use of benzoxazaborine as a general scaffold for the development of structurally related yet mechanistically divergent catalysts for the direct nucleophilic and electrophilic activation of alcohols under ambient conditions. The utility of these catalysts is demonstrated in the monophosphorylation of vicinal diols and the reductive deoxygenation of benzylic alcohols and ketones respectively. Mechanistic studies of both processes reveal the contrasting nature of key tetravalent boron intermediates in the two catalytic manifolds.
Distinguishing artificial spin ice states using magnetoresistance effect for neuromorphic computing
Authors: Hu Wenjie , Zhang Zefeng , Liao Yanghui , Li Qiang , Shi Yang , Zhang Huanyu , Zhang Xumeng , Niu Chang , Wu Yu , Yu Weichao , Zhou Xiaodong , Guo Hangwen , Wang Wenbin , Xiao Jiang , Yin Lifeng , Liu Qi , Shen Jian
Published: May 2023

Artificial spin ice (ASI) consisting patterned array of nano-magnets with frustrated dipolar interactions offers an excellent platform to study frustrated physics using direct imaging methods. Moreover, ASI often hosts a large number of nearly degenerated and non-volatile spin states that can be used for multi-bit data storage and neuromorphic computing. The realization of the device potential of ASI, however, critically relies on the capability of transport characterization of ASI, which has not been demonstrated so far. Using a tri-axial ASI system as the model system, we demonstrate that transport measurements can be used to distinguish the different spin states of the ASI system. Specifically, by fabricating a tri-layer structure consisting a permalloy base layer, a Cu spacer layer and the tri-axial ASI layer, we clearly resolve different spin states in the tri-axial ASI system using lateral transport measurements. We have further demonstrated that the tri-axial ASI system has all necessary required properties for reservoir computing, including rich spin configurations to store input signals, nonlinear response to input signals, and fading memory effect. The successful transport characterization of ASI opens up the prospect for novel device applications of ASI in multi-bit data storage and neuromorphic computing.
Southern Tibetan rifting since late Miocene enabled by basal shear of the underthrusting Indian lithosphere
Authors: Zhang Bingfeng , Bao Xuewei , Wu Yingkai , Xu Yixian , Yang Wencai
Published: May 2023

Syncontractional extension is prominent in present-day Tibet, but its origin remains vigorously debated. Several deep-seated geodynamic processes (e.g., Indian underthrusting, horizontal flow, and mantle upwelling) have been linked to Tibetan rifting. Indian underthrusting is a good candidate because it can well explain why surface rifts are more prominent south of the Bangong–Nujiang suture; however, how Indian underthrusting causes extension is not well understood and lacks observational constraints. Seismic anisotropy, measured by exploiting the birefringence effect of shear waves, can be indicative of the deformation styles within the crust. Here, we unveil the dominant convergence-parallel alignment of anisotropic fabrics in the deep crust of the southern Tibetan rifts using seismic recordings collected from our recently deployed and existing seismic stations. This finding suggests that the strong north-directed shearing exerted by the underthrusting Indian plate is key to enabling present-day extension in southern Tibet.
Engineered repeat proteins as scaffolds to assemble multi-enzyme systems for efficient cell-free biosynthesis
Authors: Ledesma-Fernandez Alba , Velasco-Lozano Susana , Santiago-Arcos Javier , López-Gallego Fernando , Cortajarena Aitziber L.
Published: May 2023

Multi-enzymatic cascades with enzymes arranged in close-proximity through a protein scaffold can trigger a substrate channeling effect, allowing for efficient cofactor reuse with industrial potential. However, precise nanometric organization of enzymes challenges the design of scaffolds. In this study, we create a nanometrically organized multi-enzymatic system exploiting engineered Tetrapeptide Repeat Affinity Proteins (TRAPs) as scaffolding for biocatalysis. We genetically fuse TRAP domains and program them to selectively and orthogonally recognize peptide-tags fused to enzymes, which upon binding form spatially organized metabolomes. In addition, the scaffold encodes binding sites to selectively and reversibly sequester reaction intermediates like cofactors via electrostatic interactions, increasing their local concentration and, consequently, the catalytic efficiency. This concept is demonstrated for the biosynthesis of amino acids and amines using up to three enzymes. Scaffolded multi-enzyme systems present up to 5-fold higher specific productivity than the non-scaffolded ones. In-depth analysis suggests that channeling of NADH cofactor between the assembled enzymes enhances the overall cascade throughput and the product yield. Moreover, we immobilize this biomolecular scaffold on solid supports, creating reusable heterogeneous multi-functional biocatalysts for consecutive operational batch cycles. Our results demonstrate the potential of TRAP-scaffolding systems as spatial-organizing tools to increase the efficiency of cell-free biosynthetic pathways.
NetBID2 provides comprehensive hidden driver analysis
Authors: Dong Xinran , Ding Liang , Thrasher Andrew , Wang Xinge , Liu Jingjing , Pan Qingfei , Rash Jordan , Dhungana Yogesh , Yang Xu , Risch Isabel , Li Yuxin , Yan Lei , Rusch Michael , McLeod Clay , Yan Koon-Kiu , Peng Junmin , Chi Hongbo , Zhang Jinghui , Yu Jiyang
Published: May 2023

Many signaling and other genes known as “hidden” drivers may not be genetically or epigenetically altered or differentially expressed at the mRNA or protein levels, but, rather, drive a phenotype such as tumorigenesis via post-translational modification or other mechanisms. However, conventional approaches based on genomics or differential expression are limited in exposing such hidden drivers. Here, we present a comprehensive algorithm and toolkit NetBID2 (data-driven network-based Bayesian inference of drivers, version 2), which reverse-engineers context-specific interactomes and integrates network activity inferred from large-scale multi-omics data, empowering the identification of hidden drivers that could not be detected by traditional analyses. NetBID2 has substantially re-engineered the previous prototype version by providing versatile data visualization and sophisticated statistical analyses, which strongly facilitate researchers for result interpretation through end-to-end multi-omics data analysis. We demonstrate the power of NetBID2 using three hidden driver examples. We deploy NetBID2 Viewer, Runner, and Cloud apps with 145 context-specific gene regulatory and signaling networks across normal tissues and paediatric and adult cancers to facilitate end-to-end analysis, real-time interactive visualization and cloud-based data sharing. NetBID2 is freely available at https://jyyulab.github.io/NetBID.
Strong second-harmonic generation by sublattice polarization in non-uniformly strained monolayer graphene
Authors: Lu Kunze , Luo Manlin , Gao Weibo , Wang Qi Jie , Sun Hao , Nam Donguk
Published: May 2023

Despite the potential of graphene for building a variety of quantum photonic devices, its centrosymmetric nature forbids the observation of second harmonic generation (SHG) for developing second-order nonlinear devices. To activate SHG in graphene, extensive research efforts have been directed towards disrupting graphene’s inversion symmetry using external stimuli like electric fields. However, these methods fail to engineer graphene’s lattice symmetry, which is the root cause of the forbidden SHG. Here, we harness strain engineering to directly manipulate graphene’s lattice arrangement and induce sublattice polarization to activate SHG. Surprisingly, the SHG signal is boosted 50-fold at low temperatures, which can be explained by resonant transitions between strain-induced pseudo-Landau levels. The second-order susceptibility of strained graphene is found to be larger than that of hexagonal boron nitride with intrinsic broken inversion symmetry. Our demonstration of strong SHG in strained graphene offers promising possibilities for developing high-efficiency nonlinear devices for integrated quantum circuits.
A Wox3-patterning module organizes planar growth in grass leaves and ligules
Authors: Satterlee James W. , Evans Lukas J. , Conlon Brianne R. , Conklin Phillip , Martinez-Gomez Jesus , Yen Jeffery R. , Wu Hao , Sylvester Anne W. , Specht Chelsea D. , Cheng Jie , Johnston Robyn , Coen Enrico , Scanlon Michael J.
Published: May 2023

Grass leaves develop from a ring of primordial initial cells within the periphery of the shoot apical meristem, a pool of organogenic stem cells that generates all of the organs of the plant shoot. At maturity, the grass leaf is a flattened, strap-like organ comprising a proximal supportive sheath surrounding the stem and a distal photosynthetic blade. The sheath and blade are partitioned by a hinge-like auricle and the ligule, a fringe of epidermally derived tissue that grows from the adaxial (top) leaf surface. Together, the ligule and auricle comprise morphological novelties that are specific to grass leaves. Understanding how the planar outgrowth of grass leaves and their adjoining ligules is genetically controlled can yield insight into their evolutionary origins. Here we use single-cell RNA-sequencing analyses to identify a ‘rim’ cell type present at the margins of maize leaf primordia. Cells in the leaf rim have a distinctive identity and share transcriptional signatures with proliferating ligule cells, suggesting that a shared developmental genetic programme patterns both leaves and ligules. Moreover, we show that rim function is regulated by genetically redundant Wuschel-like homeobox3 (WOX3) transcription factors. Higher-order mutations in maize Wox3 genes greatly reduce leaf width and disrupt ligule outgrowth and patterning. Together, these findings illustrate the generalizable use of a rim domain during planar growth of maize leaves and ligules, and suggest a parsimonious model for the homology of the grass ligule as a distal extension of the leaf sheath margin.
High-throughput calculations of charged point defect properties with semi-local density functional theory—performance benchmarks for materials screening applications
Authors: Broberg Danny , Bystrom Kyle , Srivastava Shivani , Dahliah Diana , Williamson Benjamin A. D. , Weston Leigh , Scanlon David O. , Rignanese Gian-Marco , Dwaraknath Shyam , Varley Joel , Persson Kristin A. , Asta Mark , Hautier Geoffroy
Published: May 2023

Calculations of point defect energetics with Density Functional Theory (DFT) can provide valuable insight into several optoelectronic, thermodynamic, and kinetic properties. These calculations commonly use methods ranging from semi-local functionals witha-posterioricorrections to more computationally intensive hybrid functional approaches. For applications of DFT-based high-throughput computation for data-driven materials discovery, point defect properties are of interest, yet are currently excluded from available materials databases. This work presents a benchmark analysis of automated, semi-local point defect calculations witha-posterioricorrections, compared to 245 “gold standard” hybrid calculations previously published. We consider three differenta-posterioricorrection sets implemented in an automated workflow, and evaluate the qualitative and quantitative differences among four different categories of defect information: thermodynamic transition levels, formation energies, Fermi levels, and dopability limits. We highlight qualitative information that can be extracted from high-throughput calculations based on semi-local DFT methods, while also demonstrating the limits of quantitative accuracy.
Do subtle cultural differences sculpt face pareidolia?
Authors: Romagnano Valentina , Sokolov Alexander N. , Fallgatter Andreas J. , Pavlova Marina A.
Published: May 2023

Face tuning to non-face images such as shadows or grilled toasts is termed face pareidolia. Face-pareidolia images represent a valuable tool for investigation of social cognition in mental disorders. Here we examined (i) whether, and, if so, how face pareidolia is affected by subtle cultural differences; and (ii) whether this impact is modulated by gender. With this purpose in mind, females and males from Northern Italy were administered a set of Face-n-Thing images, photographs of objects such as houses or waves to a varying degree resembling a face. Participants were presented with pareidolia images with canonical upright orientation and display inversion that heavily affects face pareidolia. In a two-alternative forced-choice paradigm, beholders had to indicate whether each image resembled a face. The outcome was compared with the findings obtained in the Southwest of Germany. With upright orientation, neither cultural background nor gender affected face pareidolia. As expected, display inversion generally mired face pareidolia. Yet, while display inversion led to a drastic reduction of face impression in German males as compared to females, in Italians, no gender differences were found. In a nutshell, subtle cultural differences do not sculpt face pareidolia, but instead affect face impression in a gender-specific way under unusual viewing conditions. Clarification of the origins of these effects requires tailored brain imaging work. Implications for transcultural psychiatry, in particular, for schizophrenia research, are highlighted and discussed.
DNA storage in thermoresponsive microcapsules for repeated random multiplexed data access
Authors: Bögels Bas W. A. , Nguyen Bichlien H. , Ward David , Gascoigne Levena , Schrijver David P. , Makri Pistikou Anna-Maria , Joesaar Alex , Yang Shuo , Voets Ilja K. , Mulder Willem J. M. , Phillips Andrew , Mann Stephen , Seelig Georg , Strauss Karin , Chen Yuan-Jyue , de Greef Tom F. A.
Published: May 2023

DNA has emerged as an attractive medium for archival data storage due to its durability and high information density. Scalable parallel random access to information is a desirable property of any storage system. For DNA-based storage systems, however, this still needs to be robustly established. Here we report on a thermoconfined polymerase chain reaction, which enables multiplexed, repeated random access to compartmentalized DNA files. The strategy is based on localizing biotin-functionalized oligonucleotides inside thermoresponsive, semipermeable microcapsules. At low temperatures, microcapsules are permeable to enzymes, primers and amplified products, whereas at high temperatures, membrane collapse prevents molecular crosstalk during amplification. Our data show that the platform outperforms non-compartmentalized DNA storage compared with repeated random access and reduces amplification bias tenfold during multiplex polymerase chain reaction. Using fluorescent sorting, we also demonstrate sample pooling and data retrieval by microcapsule barcoding. Therefore, the thermoresponsive microcapsule technology offers a scalable, sequence-agnostic approach for repeated random access to archival DNA files.
MHC-II dynamics are maintained in HLA-DR allotypes to ensure catalyzed peptide exchange
Authors: Abualrous Esam T. , Stolzenberg Sebastian , Sticht Jana , Wieczorek Marek , Roske Yvette , Günther Matthias , Dähn Steffen , Boesen Benedikt B. , Calvo Marcos Martínez , Biese Charlotte , Kuppler Frank , Medina-García Álvaro , Álvaro-Benito Miguel , Höfer Thomas , Noé Frank , Freund Christian
Published: May 2023

Presentation of antigenic peptides by major histocompatibility complex class II (MHC-II) proteins determines T helper cell reactivity. The MHC-II genetic locus displays a large degree of allelic polymorphism influencing the peptide repertoire presented by the resulting MHC-II protein allotypes. During antigen processing, the human leukocyte antigen (HLA) molecule HLA-DM (DM) encounters these distinct allotypes and catalyzes exchange of the placeholder peptide CLIP by exploiting dynamic features of MHC-II. Here, we investigate 12 highly abundant CLIP-bound HLA-DRB1 allotypes and correlate dynamics to catalysis by DM. Despite large differences in thermodynamic stability, peptide exchange rates fall into a target range that maintains DM responsiveness. A DM-susceptible conformation is conserved in MHC-II molecules, and allosteric coupling between polymorphic sites affects dynamic states that influence DM catalysis. As exemplified for rheumatoid arthritis, we postulate that intrinsic dynamic features of peptide–MHC-II complexes contribute to the association of individual MHC-II allotypes with autoimmune disease.
Inadequate dietary diversity practices and associated factors among postpartum mothers in Gambella town, Southwest Ethiopia
Authors: Teferi Taye , Endalk Genet , Ayenew Girum Meseret , Fentahun Netsanet
Published: May 2023

The shortage of diversified diets in lactating postpartum mothers is a severe problem in developing countries. The promotion of diverse diets is important to improving micronutrient nourishment and adequate energy intake for lactating mothers. To date, there is limited evidence regarding inadequate dietary diversity practices among lactating postpartum mothers in Gambella region. The study is aimed to determine inadequate dietary diversity practice and associated factors among lactating postpartum mothers in Gambella city, southwest Ethiopia. Mixed methods were employed on 407 randomly selected lactating postpartum mothers and 15 purposively selected key informants from February 28 to March 24, 2021. A pre-tested questionnaire and interview guide were used for data collection. Data were analyzed using Statistical Package for the Social Sciences version 21 software. Binary logistic regression models were used to determine the associated factors of dietary diversity. Qualitative data were analyzed manually through a thematic approach. The prevalence of inadequate dietary diversity practice was 60.2%. Having no education (AOR = 3.74, 95% CI: 1.18, 11.88), employed women(AOR = 0.37, 95% CI: 0.18, 0.75), meal frequency < 3 meals (AOR = 2.92, 95% CI: 1.04, 8.71), time taken to market > 30 min (AOR = 4.20, 95% CI: 2.01, 8.76), not received nutrition education (AOR = 2.0, 95% CI:1.09, 3.68), having home gardening (AOR = 0.32, 95% CI: 0.18, 0.57) and having big animals (AOR = 0.12, 95% CI: 0.05, 0.29) were significant factors of inadequate dietary diversity practice. Diet habits, food taboos, low social status of women in ownership of household assets, low family support, order of feeding, child preference for resource distribution in a polygamous family, and health care provider’s advice were the main mentioned reasons for inadequate dietary diversity practices. The prevalence of inadequate dietary diversity practices were high compared to previous studies. Having no education, employed women, meal frequency < 3 meals, time taken to market > 30 min, not receiving nutrition education, having a home garden, and having big animals were significant factors of inadequate dietary diversity practice. Nutrition intervention focused on nutrition education to increase meal frequency should be provided for lactating postpartum mothers to improve inadequate dietary diversity practices.
Unrevealing tunable resonant excitons and correlated plasmons and their coupling in new amorphous carbon-like for highly efficient photovoltaic devices
Authors: Darminto D. , Asih Retno , Priyanto Budhi , Baqiya Malik A. , Ardiani Irma S. , Nadiyah Khoirotun , Laila Anna Z. , Prayogi Soni , Tunmee Sarayut , Nakajima Hideki , Fauzi Angga D. , Naradipa Muhammad A. , Diao Caozheng , Rusydi Andrivo
Published: May 2023

An understanding on roles of excitons and plasmons is important in excitonic solar cells and photovoltaic (PV) technologies. Here, we produce new amorphous carbon (a-C) like films on Indium Tin Oxide (ITO) generating PV cells with efficiency three order of magnitude higher than the existing biomass-derived a-C. The amorphous carbon films are prepared from the bioproduct of palmyra sap with a simple, environmentally friendly, and highly reproducible method. Using spectroscopic ellipsometry, we measure simultaneously complex dielectric function, loss function as well as reflectivity and reveal coexistence of many-body resonant excitons and correlated-plasmons occurring due to strong electronic correlations. X-ray absorption and photoemission spectroscopies show the nature of electron and hole in defining the energy of the excitons and plasmons as a function of N or B doping. Our result shows new a-C like films and the importance of the coupling of resonant excitons and correlated plasmons in determining efficiency of photovoltaic devices.
Self-absorption correction on 2D X-ray fluorescence maps
Authors: Ge Mingyuan , Yan Hanfei , Huang Xiaojing , Chu Yong S.
Published: May 2023

X-ray fluorescence mapping (XRF) is a highly efficient and non-invasive technique for quantifying material composition with micro and nanoscale spatial resolutions. Quantitative XRF analysis, however, confronts challenges from the long-lasting problem called self-absorption. Moreover, correcting two-dimensional XRF mapping datasets is particularly difficult because it is an ill-posed inverse problem. Here we report a semi-empirical method that can effectively correct 2D XRF mapping data. The correction error is generally less than 10% from a comprehensive evaluation of the accuracy in various configurations. The proposed method was applied to quantify the composition distribution around the grain boundaries in an electrochemically corroded stainless steel sample. Highly localized Cr enrichment was found around the crack sites, which was invisible before the absorption correction.
A Fano-resonance plasmonic assembly for broadband-enhanced coherent anti-Stokes Raman scattering
Authors: Zhang Yujia , Lu Minjian , Zhu Zhendong , Li Yan , Wei Haoyun
Published: May 2023

Surface-enhanced coherent anti-Stokes Raman scattering (SECARS) technique has triggered huge interests due to the significant signal enhancement for high-sensitivity detection. Previous SECARS work has tended to focus only on the enhancement effect at a certain combination of frequencies, more suitable for single-frequency CARS. In this work, based on the enhancement factor for broadband SECARS excitation process, a novel Fano resonance plasmonic nanostructure for SECARS is studied. In addition to the 12 orders of magnitude enhancement effect that can be realized under single-frequency CARS, this structure also shows huge enhancement under broadband CARS in a wide wavenumber region, covering most of the fingerprint region. This geometrically-tunable Fano plasmonic nanostructure provides a way to realize broadband-enhanced CARS, with potentials in single-molecular monitoring and high-selectivity biochemical detection.
Distinct mutational pattern of T-cell large granular lymphocyte leukemia combined with pure red cell aplasia: low mutational burden of STAT3
Authors: Park Sooyong , Yun Jiwon , Choi Sung Yoon , Jeong Dajeong , Gu Ja-Yoon , Lee Jee-Soo , Seong Moon-Woo , Chang Yoon Hwan , Yun Hongseok , Kim Hyun Kyung
Published: May 2023

T-cell large granular lymphocyte leukemia (T-LGL) is often accompanied by pure red cell aplasia (PRCA). A high depth of next generation sequencing (NGS) was used for detection of the mutational profiles in T-LGL alone (n = 25) and T-LGL combined with PRCA (n = 16). Beside STAT3 mutation (41.5%), the frequently mutated genes included KMT2D (17.1%), TERT (12.2%), SUZ12 (9.8%), BCOR (7.3%), DNMT3A (7.3%), and RUNX1 (7.3%). Mutations of the TERT promoter showed a good response to treatment. 3 of 41 (7.3%) T-LGL patients with diverse gene mutations were revealed as T-LGL combined with myelodysplastic syndrome (MDS) after review of bone marrow slide. T-LGL combined with PRCA showed unique features (low VAF level of STAT3 mutation, low lymphocyte count, old age). Low ANC was detected in a STAT3 mutant with a low level of VAF, suggesting that even the low mutational burden of STAT3 is sufficient for reduction of ANC. In retrospective analysis of 591 patients without T-LGL, one MDS patient with STAT3 mutation was revealed to have subclinical T-LGL. T-LGL combined with PRCA may be classified as unique subtype of T-LGL. High depth NGS can enable sensitive detection of concomitant MDS in T-LGL. Mutation of the TERT promoter may indicate good response to treatment of T-LGL, thus, its addition to an NGS panel may be recommended.
Nationwide patterns of hydroxychloroquine dosing and monitoring of retinal toxicity in patients with systemic lupus erythematosus
Authors: Lee Jae-Eun , Nam Dal Ri , Sung Yoon-Kyoung , Kim Yu Jeong , Jung Sun-Young
Published: May 2023

This study identified trends in hydroxychloroquine (HCQ) prescription and retinopathy screening in patients with systemic lupus erythematosus (SLE) according to clinical practice guidelines to minimise the risk of HCQ retinopathy. We used data from patients diagnosed with SLE between 2004 and 2019 from the National Health Insurance Service in Korea. To assess trends of daily dose per actual body weight (ABW), we performed an interrupted time-series analysis and identified effects after revision of guidelines. Among 38,973 patients with SLE, 28,415 (72.9%) were prescribed HCQ from 2004 to 2019. The proportion of patients using HCQ among SLE patients was 63% in 2004 and increased to 76% in 2019. The median daily dose per ABW for HCQ users decreased from 5.88 mg/kg in 2004 to 3.98 mg/kg in 2019, and from 5.45 mg/kg in 2005 to 4.17 mg/kg in 2019 for HCQ new users. The annual implementation rate of screening tests among HCQ new users increased from 3.5% in 2006 to 22.5% in 2019. Study results indicated that HCQ dosing management was adequate based on the revised guidelines. Although the implementation rate of retinal screening has increased, it is necessary to enhance awareness of retinal screening in clinical settings.
Preparation of new surface coating based on modified oil-based polymers blended with ZnO and CuZnO NPs for steel protection
Authors: Elfadel Roma. G. , Refat Hala M. , El-Wahab H. Abd , Salem Salem S. , Owda M. E. , Abdel Reheim M. A. M.
Published: May 2023

In our paper, we have synthesized modified PEA and alkyd resin by replacing the new source of polyol (SDEA) which was confirmed by different analyses such as IR, and 1HNMR spectra. A series of conformal, novel, low-cost, and eco-friendly hyperbranched modified alkyd and PEA resins were fabricated with bio ZnO, CuO/ZnO) NPs through an ex-situ method for mechanical and anticorrosive coatings. The synthesized biometal oxides NPs and its composite modified alkyd and PEA were confirmed by FTIR, SEM with EDEX, TEM, and TGA, and can be stably dispersed into modified alkyd and PEA resins at a low weight fraction of 1%. The nanocomposite coating was also subjected to various tests to determine their surface adhesion, which ranged from (4B-5B), physico-mechanical characteristics such as scratch hardness, which improved from < 1.5 to > 2 kg, gloss (100–135) Specific gravity (0.92–0.96) and also chemical resistance test which passed for water, acid, and solvent except alkali, was poor because of the hydrolyzable ester group in the alkyd and PEA resins. The anti-corrosive features of the nanocomposites were investigated through salt spray tests in 5 wt % NaCl. The results indicate that well-dispersed bio ZnO and CuO/ZnO) NPs (1.0%) in the interior of the hyperbranched alkyd and PEA matrix improve the durability and anticorrosive attributes of the composites, such as degree of rusting, which ranged from 5 to 9, blistering size ranged from 6 to 9, and finally, scribe failure, which ranged from 6 to 9 mm. Thus, they exhibit potential applications in eco- friendly surface coatings. The anticorrosion mechanisms of the nanocomposite alkyd and PEA coating were attributed to the synergistic effect of bio ZnO and (CuO/ZnO) NPs and the prepared modified resins are highly rich in nitrogen elements, which might be regarded as a physical barrier layer for steel substrates.
Transcriptomic analysis of glutamate-induced HT22 neurotoxicity as a model for screening anti-Alzheimer’s drugs
Authors: Prasansuklab Anchalee , Sukjamnong Suporn , Theerasri Atsadang , Hu Valerie W. , Sarachana Tewarit , Tencomnao Tewin
Published: May 2023

Glutamate-induced neurotoxicity in the HT22 mouse hippocampal neuronal cell line has been recognized as a valuable cell model for the study of neurotoxicity associated with neurodegenerative diseases including Alzheimer’s disease (AD). However, the relevance of this cell model for AD pathogenesis and preclinical drug screening remains to be more elucidated. While there is increasing use of this cell model in a number of studies, relatively little is known about its underlying molecular signatures in relation to AD. Here, our RNA sequencing study provides the first transcriptomic and network analyses of HT22 cells following glutamate exposure. Several differentially expressed genes (DEGs) and their relationships specific to AD were identified. Additionally, the usefulness of this cell model as a drug screening system was assessed by determining the expression of those AD-associated DEGs in response to two medicinal plant extracts, Acanthus ebracteatus and Streblus asper, that have been previously shown to be protective in this cell model. In summary, the present study reports newly identified AD-specific molecular signatures in glutamate-injured HT22 cells, suggesting that this cell can be a valuable model system for the screening and evaluation of new anti-AD agents, particularly from natural products.
The potential of HEART score to detect the severity of coronary artery disease according to SYNTAX score
Authors: Salimi Amirhossein , Zolghadrasli Abdolali , Jahangiri Soodeh , Hatamnejad Mohammad Reza , Bazrafshan Mehdi , Izadpanah Peyman , Dehghani Fatemeh , Askarinejad Amir , Salimi Maryam , Bazrafshan Drissi Hamed
Published: May 2023

Clinical scoring systems such as the HEART score can predict major adverse cardiovascular events, but they cannot be used to demonstrate the degree and severity of coronary artery disease. We investigated the potential of HEART Score in detecting the existence and severity of coronary artery disease based on SYNTAX score. This multi-centric cross-sectional study investigated patients referred to the cardiac emergency departments of three hospitals between January 2018 and January 2020. Data including age, gender, risk factors, comorbidities, 12-lead ECG, blood pressure and echocardiogram were recorded for all the participants. Serum troponin I level was measured on admission and 6 h later. Coronary angiography was done via the femoral or radial route. HEART and SYNTAX scores were calculated for all patients and their association was assessed. 300 patients (65% female) with mean age of 58.42 ± 12.42 years were included. mean HEART Score was 5.76 ± 1.56 (min = 3, max = 9), and mean SYNTAX score was 14.82 ± 11.42 (min = 0, max = 44.5). Pearson correlation coefficient was 0.493 between HEART Score and SYNTAX score which was statistically significant (P < 0.001). We found that HEART Score of more than 6 is 52% sensitive and 74.7% specific to detect extensive coronary artery involvement (SNTAX score ≥ 23). The present study showed that the HEART score has a moderate and positive correlation with the SYNTAX score and HEART score with a cut-off value of 6 is a predictor for SYNTAX score of ≥ 23.
Treatment of broad-based intracranial aneurysms with the LVIS EVO stent: a retrospective observational study at two centers with short- and medium-term follow-up
Authors: Maurer Christoph J. , Berlis Ansgar , Maus Volker , Behrens Lars , Weber Werner , Fischer Sebastian
Published: May 2023

The use of stents is well established in the treatment of broad-based intracranial aneurysms. The aim of this study is to report on safety, feasibility and midterm follow-up of the new LVIS EVO braided stent for the treatment of cerebral aneurysms. All consecutive patients with intracranial aneurysms who were treated with the LVIS EVO stent in two high volume neurovascular centers were retrospectively enrolled in this observational study. Clinical and technical complications, angiographic outcome and clinical short-term and midterm results were evaluated. The study included 112 patients with 118 aneurysms. 94 patients presented with incidental aneurysms, 13 patients with acute SAH and 2 patients with acute cranial nerve palsy. For 100 aneurysms a jailing technique was used, re-crossing of the stent was performed in 3 cases. For the residual 15 cases the stent was placed as a bail-out or as a second step. Immediate complete occlusion was observed in 85 aneurysms (72%). Midterm follow-up was available for 84 patients with 86 aneurysms (72.9%). One stent showed asymptomatic complete occlusion on follow-up imaging, in all other cases no in-stent stenosis was observed. The rate of complete occlusion was 79.1% at 6 months and 82.2% at 12–18 months. Midterm follow-up data of this retrospective observational cohort of two neurovascular centers corroborates the safety profile of the LVIS EVO device for treatment of ruptured and unruptured intracranial aneurysms.
Out-of-plane polarization reversal and changes in in-plane ferroelectric and ferromagnetic domains of multiferroic BiFe0.9Co0.1O3 thin films by water printing
Authors: Itoh Takuma , Shigematsu Kei , Nishikubo Takumi , Azuma Masaki
Published: May 2023

BiFe0.9Co0.1O3 is a promising material for an ultra-low-power-consumption nonvolatile magnetic memory device because local magnetization reversal is possible through application of an electric field. Here, changes in ferroelectric and ferromagnetic domain structures in a multiferroic BiFe0.9Co0.1O3 thin film induced by “water printing”, which is a polarization reversal method involving chemical bonding and charge accumulation at the interface between the liquid and the film, was investigated. Water printing using pure water with pH = 6.2 resulted in an out-of-plane polarization reversal from upward to downward. The in-plane domain structure remained unchanged after the water printing process, indicating that 71° switching was achieved in 88.4% of the observation area. However, magnetization reversal was observed in only 50.1% of the area, indicating a loss of correlation between the ferroelectric and magnetic domains because of the slow polarization reversal due to nucleation growth.
Mechanism-based and computational modeling of hydrogen sulfide biogenesis inhibition: interfacial inhibition
Authors: Le Corre Laurent , Padovani Dominique
Published: May 2023

Hydrogen sulfide (H2S) is a gaseous signaling molecule that participates in various signaling functions in health and diseases. The tetrameric cystathionine γ-lyase (CSE) contributes to H2S biogenesis and several investigations provide evidence on the pharmacological modulation of CSE as a potential target for the treatment of a multitude of conditions. D-penicillamine (D-pen) has recently been reported to selectively impede CSE-catalyzed H2S production but the molecular bases for such inhibitory effect have not been investigated. In this study, we report that D-pen follows a mixed-inhibition mechanism to inhibit both cystathionine (CST) cleavage and H2S biogenesis by human CSE. To decipher the molecular mechanisms underlying such a mixed inhibition, we performed docking and molecular dynamics (MD) simulations. Interestingly, MD analysis of CST binding reveals a likely active site configuration prior to gem-diamine intermediate formation, particularly H-bond formation between the amino group of the substrate and the O3′ of PLP. Similar analyses realized with both CST and D-pen identified three potent interfacial ligand-binding sites for D-pen and offered a rational for D-pen effect. Thus, inhibitor binding not only induces the creation of an entirely new interacting network at the vicinity of the interface between enzyme subunits, but it also exerts long range effects by propagating to the active site. Overall, our study paves the way for the design of new allosteric interfacial inhibitory compounds that will specifically modulate H2S biogenesis by cystathionine γ-lyase.
Raman spectroscopy and topological machine learning for cancer grading
Authors: Conti Francesco , D’Acunto Mario , Caudai Claudia , Colantonio Sara , Gaeta Raffaele , Moroni Davide , Pascali Maria Antonietta
Published: May 2023

In the last decade, Raman Spectroscopy is establishing itself as a highly promising technique for the classification of tumour tissues as it allows to obtain the biochemical maps of the tissues under investigation, making it possible to observe changes among different tissues in terms of biochemical constituents (proteins, lipid structures, DNA, vitamins, and so on). In this paper, we aim to show that techniques emerging from the cross-fertilization of persistent homology and machine learning can support the classification of Raman spectra extracted from cancerous tissues for tumour grading. In more detail, topological features of Raman spectra and machine learning classifiers are trained in combination as an automatic classification pipeline in order to select the best-performing pair. The case study is the grading of chondrosarcoma in four classes: cross and leave-one-patient-out validations have been used to assess the classification accuracy of the method. The binary classification achieves a validation accuracy of 81% and a test accuracy of 90%. Moreover, the test dataset has been collected at a different time and with different equipment. Such results are achieved by a support vector classifier trained with the Betti Curve representation of the topological features extracted from the Raman spectra, and are excellent compared with the existing literature. The added value of such results is that the model for the prediction of the chondrosarcoma grading could easily be implemented in clinical practice, possibly integrated into the acquisition system.
Visual tracking of viral infection dynamics reveals the synergistic interactions between cucumber mosaic virus and broad bean wilt virus 2
Authors: Kwon Min-Jun , Kwon Sun-Jung , Kim Myung-Hwi , Choi Boram , Byun Hee-Seong , Kwak Hae-Ryun , Seo Jang-Kyun
Published: May 2023

Cucumber mosaic virus (CMV) is one of the most prevalent plant viruses in the world, and causes severe damage to various crops. CMV has been studied as a model RNA virus to better understand viral replication, gene functions, evolution, virion structure, and pathogenicity. However, CMV infection and movement dynamics remain unexplored due to the lack of a stable recombinant virus tagged with a reporter gene. In this study, we generated a CMV infectious cDNA construct tagged with a variant of the flavin-binding LOV photoreceptor (iLOV). The iLOV gene was stably maintained in the CMV genome after more than four weeks of three serial passages between plants. Using the iLOV-tagged recombinant CMV, we visualized CMV infection and movement dynamics in living plants in a time course manner. We also examined whether CMV infection dynamics is influenced by co-infection with broad bean wilt virus 2 (BBWV2). Our results revealed that no spatial interference occurred between CMV and BBWV2. Specifically, BBWV2 facilitated the cell-to-cell movement of CMV in the upper young leaves. In addition, the BBWV2 accumulation level increased after co-infection with CMV.