bluuebunny/crossref_metadata_2025_split huggingface dataset:
Stable endocytic structures navigate the complex pellicle of apicomplexan parasites
Authors: Koreny Ludek , Mercado-Saavedra Brandon N. , Klinger Christen M. , Barylyuk Konstantin , Butterworth Simon , Hirst Jennifer , Rivera-Cuevas Yolanda , Zaccai Nathan R. , Holzer Victoria J. C. , Klingl Andreas , Dacks Joel B. , Carruthers Vern B. , Robinson Margaret S. , Gras Simon , Waller Ross F. 
Published: April 2023

AbstractApicomplexan parasites have immense impacts on humanity, but their basic cellular processes are often poorly understood. Where endocytosis occurs in these cells, how conserved this process is with other eukaryotes, and what the functions of endocytosis are across this phylum are major unanswered questions. Using the apicomplexan model Toxoplasma, we identified the molecular composition and behavior of unusual, fixed endocytic structures. Here, stable complexes of endocytic proteins differ markedly from the dynamic assembly/disassembly of these machineries in other eukaryotes. We identify that these endocytic structures correspond to the ‘micropore’ that has been observed throughout the Apicomplexa. Moreover, conserved molecular adaptation of this structure is seen in apicomplexans including the kelch-domain protein K13 that is central to malarial drug-resistance. We determine that a dominant function of endocytosis in Toxoplasma is plasma membrane homeostasis, rather than parasite nutrition, and that these specialized endocytic structures originated early in infrakingdom Alveolata likely in response to the complex cell pellicle that defines this medically and ecologically important ancient eukaryotic lineage.
Asymmetric hydrogenation of 1,1-diarylethylenes and benzophenones through a relay strategy
Authors: Li Ke , Wu Wen-Qiang , Lin Yunzhi , Shi Hang 
Published: April 2023

AbstractHomogenous transition-metal catalysts bearing a chiral ligand are widely used for asymmetric hydrogenation of unsaturated compounds such as olefins and ketones, providing efficient concise access to products with chiral carbon centers. However, distinguishing thereandsiprochiral faces of a double bond bearing two substituents that are sterically and electronically similar is challenging for these catalysts. Herein, we report a relay strategy for constructing compounds with a chiralgem-diaryl carbon center by means of a combination of selective arene exchange between 1,1-diarylethylenes or benzophenones with (naphthalene)Cr(CO)3and subsequent asymmetric hydrogenation. During the hydrogenation, the Cr(CO)3unit facilitate differentiation of the two prochiral faces of the substrate double bond via formation of a three-dimensional complex with one of the aromatic rings by selective arene exchange. Density functional theory calculations reveal that during the hydrogenation, chromium coordination affected π–π stacking of the substrate and the catalyst ligand, leading to differentiation of the prochiral faces.
Experimental warming causes mismatches in alpine plant-microbe-fauna phenology
Authors: Yin Rui , Qin Wenkuan , Wang Xudong , Xie Dong , Wang Hao , Zhao Hongyang , Zhang Zhenhua , He Jin-Sheng , Schädler Martin , Kardol Paul , Eisenhauer Nico , Zhu Biao 
Published: April 2023

AbstractLong-term observations have shown that many plants and aboveground animals have changed their phenology patterns due to warmer temperatures over the past decades. However, empirical evidence for phenological shifts in alpine organisms, particularly belowground organisms, is scarce. Here, we investigate how the activities and phenology of plants, soil microbes, and soil fauna will respond to warming in an alpine meadow on the Tibetan Plateau, and whether their potential phenological changes will be synchronized. We experimentally simulate an increase in soil temperature by 2–4 °C according to future projections for this region. We find that warming promotes plant growth, soil microbial respiration, and soil fauna feeding by 8%, 57%, and 20%, respectively, but causes dissimilar changes in their phenology during the growing season. Specifically, warming advances soil faunal feeding activity in spring and delays it in autumn, while their peak activity does not change; whereas warming increases the peak activity of plant growth and soil microbial respiration but with only minor shifts in their phenology. Such phenological asynchrony in alpine organisms may alter ecosystem functioning and stability.
Calcifications in triple-negative breast cancer: Molecular features and treatment strategies
Authors: Lin Cai-Jin , Xiao Wen-Xuan , Fu Tong , Jin Xi , Shao Zhi-Ming , Di Gen-Hong 
Published: April 2023

AbstractDespite the high prevalence of mammographic calcifications, our understanding remains limited regarding the clinical and molecular features of calcifications within triple-negative breast cancer (TNBC). To investigate the clinical relevance and biological basis of TNBC with calcifications of high suspicion for malignancy, we established a study cohort (N = 312) by integrating mammographic records with clinical data and genomic, transcriptomic, and metabolomic profiling. Despite similar clinicopathological features, patients with highly suspicious calcifications exhibited a worse overall survival than those without. In addition, TNBC with highly suspicious calcifications was characterized by a higher frequency ofPIK3CAmutation, lower infiltration of immune cells, and increased abnormality of lipid metabolism. Overall, our study systematically revealed clinical and molecular heterogeneity between TNBC with or without calcifications of high suspicion for malignancy. These data might help to understand the clinical relevance and biological basis of mammographic calcifications.
Machine learning guided high-throughput search of non-oxide garnets
Authors: Schmidt Jonathan , Wang Hai-Chen , Schmidt Georg , Marques Miguel A. L. 
Published: April 2023

AbstractGarnets have found important applications in modern technologies including magnetorestriction, spintronics, lithium batteries, etc. The overwhelming majority of experimentally known garnets are oxides, while explorations (experimental or theoretical) for the rest of the chemical space have been limited in scope. A key issue is that the garnet structure has a large primitive unit cell, requiring a substantial amount of computational resources. To perform a comprehensive search of the complete chemical space for new garnets, we combine recent progress in graph neural networks with high-throughput calculations. We apply the machine learning model to identify the potentially (meta-)stable garnet systems before performing systematic density-functional calculations to validate the predictions. We discover more than 600 ternary garnets with distances to the convex hull below 100 meV ⋅ atom−1. This includes sulfide, nitride, and halide garnets. We analyze their electronic structure and discuss the connection between the value of the electronic band gap and charge balance.
Ferroelectric order in hybrid organic-inorganic perovskite NH4PbI3 with non-polar molecules and small tolerance factor
Authors: Li Jia-Bin , Jiang Zhi-Kang , Wang Rui , Zhao Jin-Zhu , Wang Ruiqiang 
Published: April 2023

AbstractThe appropriate theoretical picture of describing the ferroelectric order in hybrid organic-inorganic perovskite remains attractive and under intense debate. We rationalize the interaction between organic molecule sublattice and inorganic frame from first-principles. Through systematic investigations on the NH4PbI3, we show that the non-polar octahedral rotation dominates the process of stabilizing of the lattice with small value of tolerance factor. The direct coupling between molecules is negligible. With the help of hydrogen bonding to the inorganic cage, molecule sublattice will eventually build long-range ferroelectric or anti-ferroelectric order under the constrain of the inorganic cage and further polarize the inorganic frame as the feedback. These results also clarify that to build ferroelectricity the polar molecule is helpful but not crucial. As the general rule for hybrid organic-inorganic perovskite, we identified the fundamental mechanism that can be considered as a critical pre-step forward to further controlling the related physics in functional materials.
Role of segregation behavior of Cu and Sb in the region of inclusions on initial corrosion
Authors: Li Zhaoliang , Chen Junhang , Xue Wei , Yin Chenghui , Song Jialiang , Xiao Kui 
Published: April 2023

AbstractThe distribution characteristics of corrosion-resistant elements in low-alloy steel affected the initial corrosion behavior of the matrix. In this article, the segregation behaviors of elements at grain boundaries and pearlite defects in low-alloy steel Q500 and the precipitation behavior of Cu in inclusions were studied. Cu, Ni and Sb had segregation behavior at the boundary of the inclusions, which was beneficial for reducing grain boundary segregation. Cu had the ability to capture Sb and Ni. Cu and Sb involvement in local corrosion process of inclusions were observised by multi-cycle 3.5% NaCl immersion test, during which Cu and Sb were oxidized to corresponding Cu2O and Sb2O3. Under the influences of the segregation of elements at the grain boundaries, the internal part of the crystal was preferentially corroded. Cr was enriched in the pearlite cementite, formed (Cr,Fe)7C3 and contributed to the corrosion process, forming Cr2O3 and CrO3.
Structural and immunological differences in Plasmodium falciparum sexual stage transmission-blocking vaccines comprised of Pfs25-EPA nanoparticles
Authors: MacDonald Nicholas J. , Singh Kavita , Reiter Karine , Nguyen Vu , Shimp Richard , Gittis Apostolos G. , Chen Beth , Burkhardt Martin , Zhang Baoshan , Wang Zhixiong , Herrera Raul , Moler Mackenzie , Lee Duck-Yeon , Orr-Gonzalez Sachy , Herrod Jessica , Lambert Lynn E. , Rausch Kelly M. , Muratova Olga , Jones David S. , Wu Yimin , Jin Albert J. , Garboczi David N. , Duffy Patrick E. , Narum David L. 
Published: April 2023

AbstractDevelopment of a malaria vaccine that blocks transmission of different parasite stages to humans and mosquitoes is considered critical for elimination efforts. A vaccine using Pfs25, a protein on the surface of zygotes and ookinetes, is under investigation as a transmission-blocking vaccine (TBV) that would interrupt parasite passage from mosquitoes to humans. The most extensively studied Pfs25 TBVs use Pichia pastoris-produced recombinant forms of Pfs25, chemically conjugated to a recombinant carrier protein, ExoProtein A (EPA). The recombinant form of Pfs25 first used in humans was identified as Pfs25H, which contained a total of 14 heterologous amino acid residues located at the amino- and carboxyl-termini including a His6 affinity tag. A second recombinant Pfs25, identified as Pfs25M, was produced to remove the heterologous amino acid residues and conjugated to EPA (Pfs25M-EPA). Here, monomeric Pfs25M was characterized biochemically and biophysically for identity, purity, and integrity including protein structure to assess its comparability with Pfs25H. Although the biological activities of Pfs25H and Pfs25M, whether generated by monomeric forms or conjugated nanoparticles, appeared similar, fine-mapping studies with two transmission-blocking monoclonal antibodies detected structural and immunological differences. In addition, evaluation of antisera generated against conjugated Pfs25H or Pfs25M nanoparticles in nonhuman primates identified polyclonal IgG that recognized these structural differences.
Bifunctional hole-shuttle molecule for improved interfacial energy level alignment and defect passivation in perovskite solar cells
Authors: You Shuai , Eickemeyer Felix T. , Gao Jing , Yum Jun-Ho , Zheng Xin , Ren Dan , Xia Meng , Guo Rui , Rong Yaoguang , Zakeeruddin Shaik M. , Sivula Kevin , Tang Jiang , Shen Zhongjin , Li Xiong , Grätzel Michael 
Published: April 2023

AbstractPerovskite solar cells have reached a power conversion efficiency over 25%, and the engineering of the interface between the perovskite and hole transport layer (HTL) has been crucial to achieve high performance. Here we design a bifunctional molecule CBz-PAI with carbazole-triphenylamine and phenylammonium iodide units to passivate defects at the perovskite/HTL interface. Owing to a favourable energy level alignment with the perovskite, the CBz-PAI acts as a hole shuttle between the perovskite layer and the HTL. This minimizes the difference between the quasi-Fermi level splitting of the perovskite, or ‘internal’ Voc, and the external device Voc, thus reducing voltage losses. As a result, solar cells incorporating CBz-PAI reach a stabilized power conversion efficiency of 24.7% and maintain 92.3% of the initial efficiency after 1,000 h under damp heat test (85 °C and 85% relative humidity) and 94.6% after 1,100 h under maximum power point-tracking conditions.
An inventory of native-alien populations in South Africa
Authors: Nelufule Takalani , Robertson Mark P. , Wilson John R. U. , Faulkner Katelyn T. 
Published: April 2023

AbstractSpecies can be both native and alien to a given administrative region. Here we present the first consolidated inventory of these ‘native-alien populations’ for South Africa, and provide an overview of the data it contains. To gather data, literature searches were performed and experts were consulted both directly and via an on-line survey. Putative native-alien populations were then scored based on a newly developed protocol. The final inventory contains information on 77 native species from 49 families across nine classes that have formed 132 native-alien populations across the terrestrial, freshwater, and marine environments. The phenomenon is rare when compared to the prevalence of related phenomena, such as alien species introduced from other countries (2033 alien species in South Africa), but is under-reported. However, they pose a specific problem for regulators and managers and their importance will likely increase with global change. These data will be integrated with an existing alien species list and, we hope, will provide a useful foundation to address the issue. We encourage those working on biodiversity to contribute more records.
The specific core fucose-binding lectin Pholiota squarrosa lectin (PhoSL) inhibits hepatitis B virus infection in vitro
Authors: Ouchida Tsunenori , Maeda Haruka , Akamatsu Yuka , Maeda Megumi , Takamatsu Shinji , Kondo Jumpei , Misaki Ryo , Kamada Yoshihiro , Ueda Masahiro , Ueda Keiji , Miyoshi Eiji 
Published: April 2023

AbstractGlycosylation of proteins and lipids in viruses and their host cells is important for viral infection and is a target for antiviral therapy. Hepatitis B virus (HBV) is a major pathogen that causes acute and chronic hepatitis; it cannot be cured because of the persistence of its covalently closed circular DNA (cccDNA) in hepatocytes. Here we found that Pholiota squarrosa lectin (PhoSL), a lectin that specifically binds core fucose, bound to HBV particles and inhibited HBV infection of a modified human HepG2 cell line, HepG2-hNTCP-C4, that expresses an HBV receptor, sodium taurocholate cotransporting polypeptide. Knockout of fucosyltransferase 8, the enzyme responsible for core fucosylation and that aids receptor endocytosis, in HepG2-hNTCP-C4 cells reduced HBV infectivity, and PhoSL facilitated that reduction. PhoSL also blocked the activity of epidermal growth factor receptor, which usually enhances HBV infection. HBV particles bound to fluorescently labeled PhoSL internalized into HepG2-hNTCP-C4 cells, suggesting that PhoSL might inhibit HBV infection after internalization. As PhoSL reduced the formation of HBV cccDNA, a marker of chronic HBV infection, we suggest that PhoSL could impair processes from internalization to cccDNA formation. Our finding could lead to the development of new anti-HBV agents.
Unsteady hybrid nanofluid ($$UO_2$$, MWCNTs/blood) flow between two rotating stretchable disks with chemical reaction and activation energy under the influence of convective boundaries
Authors: Qayyum Mubashir , Afzal Sidra , Ali Mohamed R. , Sohail Muhammad , Imran Naveed , Chambashi Gilbert 
Published: April 2023

AbstractHybrid nanofluids are extensively analyzed in recent studies due to their better performance in numerous areas such as heat and mass transfer enhancement, biological fluid movement, medical equipment, heat exchangers, electronic cooling and automotive industry. In current study the nanoparticle concentration utilized is much important in biomedical industry. Major applications include drug delivery, radio-pharmaceuticals, centrifuging blood to obtain red blood cells and plasma, medical implants, onco therapeutics and photo thermal cancer therapy. In this regard, the primary focus of this study is to simulate a blood based unsteady hybrid nanofluid flow between two rotating, stretching disks and convective boundaries. The two nanoparticles in this study are uranium dioxide $$UO_{2}$$

U

O
2

and multi-walled carbon nanotubes MWCNTs. The hybrid nanofluid is under the influence of magnetohydrodynamic effects and chemical reaction with activation energy. The governing partial differential equations (PDEs) are transformed into ordinary differential equations (ODEs) using suitable similarity transform. Homotopy analysis method is used to solve the non-linear system of ODEs and $$\hbar $$
ħ
-curves are plotted to find suitable region of $$\hbar _{i}$$

ħ
i

for convergent series solution. Velocity profile is examined for axial, radial and tangential direction against various fluid parameters. Temperature and concentration profiles are analyzed for both convective and non-convective cases. It is observed that convective boundaries result in elevated temperature when compared with non-convective case. Moreover, skin friction, heat and mass transfer rates are also examined with respect to changing volume fraction $$\varphi _{UO_{2}}$$

φ

U

O
2

.The results revealed that skin friction and rate of heat transfer increases with increase in volume fraction of both nanoparticles $$UO_{2}$$

U

O
2

and MWCNTs while the mass transfer rate depicts contrasting behavior.
Simultaneous green TLC determination of nirmatrelvir and ritonavir in the pharmaceutical dosage form and spiked human plasma
Authors: Imam Mohamed S. , Abdelazim Ahmed H. , Batubara Afnan S. , Gamal Mohammed , Almrasy Ahmed A. , Ramzy Sherif , Khojah Hanan , Hasanin Tamer H. A. 
Published: April 2023

AbstractQuantitative analysis of pharmaceutical compounds up to Nano gram levels is highly recommended to introduce feasible and sensitive tool for determination of the compounds in the pharmaceutical and biological samples. Nirmatrelvir plus ritonavir was recently approved in the US, the UK and Europe as a new co-packaged dosage form for the treatment of COVID-19. The objective of this work was to develop a more sensitive TLC method based on using β-cyclodextrin as a chiral selector additive in the mobile phase for simultaneous determination of nirmatrelvir and ritonavir in pure form, pharmaceutical formulation and spiked human plasma. The analysis procedures were developed using TLC aluminum silica gel plates and methanol–water- 2% urea solution of β-cyclodextrin (40:10:.5, by volume) as a mobile phase with UV detection at 215 nm. The developed method was successfully applied over a linearity range of 10–50 ng/band for both nirmatrelvir and ritonavir. The method was validated for limits of detection and quantitation, accuracy, precision, specificity, system suitability, and robustness. Furthermore, the eco-friendliness of the proposed method was assessed using the analytical eco-scale and the green analytical procedure index. The described method exhibited compliance with green analytical chemistry principles based on common green metric values.
The associations of socioeconomic status with incident dementia and Alzheimer’s disease are modified by leucocyte telomere length: a population-based cohort study
Authors: Lai Ka Yan , Webster Chris , Kumari Sarika , Gallacher John E. J. , Sarkar Chinmoy 
Published: April 2023

AbstractSocio-economic status (SES) and biological aging are risk factors for dementia, including Alzheimer’s disease, however, it is less clear if the associations with SES vary sufficiently across different biological age strata. We used data from 331,066 UK Biobank participants aged 38–73 with mean follow-up of 12 years to examine if associations between SES (assessed by educational attainment, employment status and household income) and dementia and Alzheimer’s disease are modified by biological age (assessed by leucocyte telomere length: LTL). Diagnosis of events was ascertained through hospital admissions data. Cox regressions were used to estimate hazard ratios [HRs]. A consistent dose–response relationship was found, with participants in low SES and shorter LTL strata (double-exposed group) reporting 3.28 (95% confidence interval [CI] 2.57–4.20) and 3.44 (95% CI 2.35–5.04) times higher risks of incident dementia and Alzheimer’s disease respectively, compared to those of high SES and longer LTL (least-exposed group). Of interest is a synergistic interaction between SES and LTL to increase risk of dementia (RERI 0.57, 95% CI 0.07–1.06) and Alzheimer’s disease (RERI 0.79, 95% CI 0.02–1.56). Our findings that SES and biological age (LTL) are synergistic risk factors of dementia and Alzheimer’s disease may suggest the need to target interventions among vulnerable sub-groups.
α-D-Glucose as a non-radioactive MRS tracer for metabolic studies of the brain
Authors: Weng Guodong , Radojewski Piotr , Slotboom Johannes 
Published: April 2023

AbstractChanges in brain glucose metabolism occur in many neurological disorders as well as during aging. Most studies on the uptake of glucose in the brain use positron emission tomography, which requires injection of a radioactive tracer. Our study shows that ultra-high-field 1H-MRS can be used to measure α-d-glucose at 5.22 ppm in vivo, and the α-d-glucose can be used as a radiation-free tracer in the human brain.
Hippocampal inactivation during rearing on hind legs impairs spatial memory
Authors: Layfield Dylan , Sidell Nathan , Blankenberger Kevin , Newman Ehren Lee 
Published: April 2023

AbstractSpatial memory requires an intact hippocampus. Hippocampal function during epochs of locomotion and quiet rest (e.g., grooming and reward consumption) has been the target of extensive study. However, during navigation rats frequently rear up onto their hind legs, and the importance of hippocampal activity during these periods of attentive sampling for spatial memory is unknown. To address this, we tested the necessity of dorsal hippocampal activity during rearing epochs in the study phase of a delayed win-shift task for memory performance in the subsequent test phase. Hippocampal activity was manipulated with closed-loop, bilateral, optogenetic inactivation. Spatial memory accuracy was significantly and selectively reduced when the dorsal hippocampus was inactivated during rearing epochs at encoding. These data show that hippocampal activity during periods of rearing can be important for spatial memory, revealing a novel link between hippocampal function during epochs of rearing and spatial memory.