bluuebunny/crossref_metadata_2025_split huggingface dataset:
Regional and racial/ethnic inequalities in public drinking water fluoride concentrations across the US
Authors: Hefferon Rose , Goin Dana E. , Sarnat Jeremy A. , Nigra Anne E. 
Published: June 2023

Abstract
Background
Although the US Centers for Disease Control and Prevention (CDC) considers fluoridation of community water systems (CWSs) to be a major public health achievement responsible for reducing dental disease, recent epidemiologic evidence suggests that chronic exposure to population-relevant levels of fluoride may also be associated with adverse child neurodevelopmental outcomes. To our knowledge, a nationally representative database of CWS fluoride concentration estimates that can be readily linked to US epidemiologic cohorts for further study is not publicly available. Our objectives were to evaluate broad regional and sociodemographic inequalities in CWS fluoride concentrations across the US, and to determine if county-level racial/ethnic composition was associated with county-level CWS fluoride.

Methods
We generated CWS-level (N = 32,495) and population weighted county-level (N = 2152) fluoride concentration estimates using over 250,000 routine compliance monitoring records collected from the US Environmental Protection Agency’s (EPA) Third Six Year Review (2006–2011). We compared CWS-level fluoride distributions across subgroups including region, population size served, and county sociodemographic characteristics. In county-level spatial error models, we also evaluated geometric mean ratios (GMRs) of CWS fluoride per 10% higher proportion of residents belonging to a given racial/ethnic subgroup.

Results
4.5% of CWSs (serving >2.9 million residents) reported mean 2006–2011 fluoride concentrations ≥1500 µg/L (the World Health Organization’s guideline for drinking water quality). Arithmetic mean, 90th, and 95th percentile contaminant concentrations were greatest in CWSs reliant on groundwater, located in the Southwest and Eastern Midwest, and serving Semi-Urban, Hispanic communities. In fully adjusted spatial error models, the GMR (95% CI) of CWS fluoride per a 10% higher proportion of county residents that were Hispanic/Latino was 1.16 (1.10, 1.23).

Impact statement
We find that over 2.9 million US residents are served by public water systems with average fluoride concentrations exceeding the World Health Organization’s guidance limit. We also find significant inequalities in community water system fluoride concentration estimates (2006–2011) across the US, especially for Hispanic/Latino communities who also experience elevated arsenic and uranium in regulated public drinking water systems. Our fluoride estimates can be leveraged in future epidemiologic studies to assess the potential association between chronic fluoride exposure and related adverse outcomes.
Prey preference in a kleptoplastic dinoflagellate is linked to photosynthetic performance
Authors: Yamada Norico , Lepetit Bernard , Mann David G , Sprecher Brittany N , Buck Jochen M , Bergmann Paavo , Kroth Peter G , Bolton John J , Dąbek Przemysław , Witkowski Andrzej , Kim So-Yeon , Trobajo Rosa 
Published: June 2023

Abstract
Dinoflagellates of the family Kryptoperidiniaceae, known as “dinotoms”, possess diatom-derived endosymbionts and contain individuals at three successive evolutionary stages: a transiently maintained kleptoplastic stage; a stage containing multiple permanently maintained diatom endosymbionts; and a further permanent stage containing a single diatom endosymbiont. Kleptoplastic dinotoms were discovered only recently, in Durinskia capensis; until now it has not been investigated kleptoplastic behavior and the metabolic and genetic integration of host and prey. Here, we show D. capensis is able to use various diatom species as kleptoplastids and exhibits different photosynthetic capacities depending on the diatom species. This is in contrast with the prey diatoms in their free-living stage, as there are no differences in their photosynthetic capacities. Complete photosynthesis including both the light reactions and the Calvin cycle remain active only when D. capensis feeds on its habitual associate, the “essential” diatom Nitzschia captiva. The organelles of another edible diatom, N. inconspicua, are preserved intact after ingestion by D. capensis and expresses the psbC gene of the photosynthetic light reaction, while RuBisCO gene expression is lost. Our results indicate that edible but non-essential, “supplemental” diatoms are used by D. capensis for producing ATP and NADPH, but not for carbon fixation. D. capensis has established a species-specifically designed metabolic system allowing carbon fixation to be performed only by its essential diatoms. The ability of D. capensis to ingest supplemental diatoms as kleptoplastids may be a flexible ecological strategy, to use these diatoms as “emergency supplies” while no essential diatoms are available.
Anastasis enhances metastasis and chemoresistance of colorectal cancer cells through upregulating cIAP2/NFκB signaling
Authors: Wang Ru , Wang Yuxing , Liu Xiaohe , Liu Menghao , Sun Lili , Pan Xiaohua , Hu Huili , Jiang Baichun , Zou Yongxin , Liu Qiao , Gong Yaoqin , Wang Molin , Sun Gongping 
Published: June 2023

AbstractChemotherapy is a common strategy to treat cancer. However, acquired resistance and metastasis are the major obstacles to successful treatment. Anastasis is a process by which cells survive executioner caspase activation when facing apoptotic stress. Here we demonstrate that colorectal cancer cells can undergo anastasis after transient exposure to chemotherapeutic drugs. Using a lineage tracing system to label and isolate cells that have experienced executioner caspase activation in response to drug treatment, we show that anastasis grants colorectal cancer cells enhanced migration, metastasis, and chemoresistance. Mechanistically, treatment with chemotherapeutic drugs induces upregulated expression of cIAP2 and activation of NFκB, which are required for cells to survive executioner caspase activation. The elevated cIAP2/NFκB signaling persists in anastatic cancer cells to promote migration and chemoresistance. Our study unveils that cIAP2/NFκB-dependent anastasis promotes acquired resistance and metastasis after chemotherapy.
SARS-CoV-2 infection and COVID-19 vaccination in cancer patients undergoing immune checkpoint inhibitors
Authors: Yang Yang , Xu Gaosi 
Published: June 2023

AbstractCancer patients are susceptible to severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2). Different antitumor treatments have attracted wide attention in the context of coronavirus disease 2019 (COVID-19), especially immune checkpoint inhibitors (ICIs) that have revolutionized oncology changes. It may also have protective and therapeutic roles in viral infections. In this article, we collected 26 cases of SARS-CoV-2 infection during ICIs therapy and 13 related to COVID-19 vaccination from Pubmed, EMBASE, and Wed of Science. Of these 26 cases, 19 (73.1%) presented mild cases and 7 (26.9%) were severe cases. Melanoma (47.4%) was a common cancer type in mild cases and lung cancer (71.4%) in severe cases (P = 0.016). The results showed that their clinical outcomes varied widely. Although there are similarities between the immune checkpoint pathway and COVID-19 immunogenicity, ICIs therapy overactivated T cells, which often leads to immune-related adverse events. In fact, the COVID-19 vaccine has been shown to be safe and effective in patients treated with ICIs. In this review, we report the vital clinical observations of SARS-CoV-2 infection or vaccination in cancer patients treated with ICIs and explore the potential interaction between them.
Structural insights into neurokinin 3 receptor activation by endogenous and analogue peptide agonists
Authors: Sun Wenjing , Yang Fan , Zhang Huanhuan , Yuan Qingning , Ling Shenglong , Wang Yuanxia , Lv Pei , Li Zelin , Luo Yifan , Liu Dongsheng , Yin Wanchao , Shi Pan , Xu H. Eric , Tian Changlin 
Published: June 2023

AbstractNeurokinin 3 receptor (NK3R) is a tachykinin receptor essential for the hypothalamic-pituitary-gonadal axis. The endogenous peptide agonist neurokinin B (NKB) preferentially activates NK3R, while substance P (SP) binds preferentially to NK1R. In addition, the SP analogue senktide more potently activates NK3R than NKB and SP. However, the mechanisms of preferential binding of peptide and NK3R activation remain elusive. Herein, we determined the cryogenic electron microscopy (cryo-EM) structures of the NK3R–Gq complex bound to NKB, SP and senktide. The three NK3R–Gq/peptide complexes utilize a class of noncanonical receptor activation mechanisms. Combining the structural analysis and functional assay illustrated that the consensus C-termini of the three peptide agonists share a conserved binding mode to NK3R, while the divergent N-termini of the peptides confer the preferential binding of the agonist to NK3R. In addition, the specific interactions between the N-terminus of senktide and the N-terminus and extracellular loops (ECL2 and ECL3) of NK3R lead to the improved activation displayed by senktide compared to SP and NKB. These findings pave the way to understand tachykinin receptor subtype selectivity and provide ideas to rationally develop drugs targeting NK3R.
Full thermoelectric characterization of a single molecule
Authors: Gemma Andrea , Tabatabaei Fatemeh , Drechsler Ute , Zulji Anel , Dekkiche Hervé , Mosso Nico , Niehaus Thomas , Bryce Martin R. , Merabia Samy , Gotsmann Bernd 
Published: June 2023

AbstractMolecules are predicted to be chemically tunable towards high thermoelectric efficiencies and they could outperform existing materials in the field of energy conversion. However, their capabilities at the more technologically relevant temperature of 300 K are yet to be demonstrated. A possible reason could be the lack of a comprehensive technique able to measure the thermal and (thermo)electrical properties, including the role of phonon conduction. Here, by combining the break junction technique with a suspended heat-flux sensor, we measured the total thermal and electrical conductance of a single molecule, at room temperature, together with its Seebeck coefficient. We used this method to extract the figure of merit zT of a tailor-made oligo(phenyleneethynylene)-9,10-anthracenyl molecule with dihydrobenzo[b]thiophene anchoring groups (DHBT-OPE3-An), bridged between gold electrodes. The result is in excellent agreement with predictions from density functional theory and molecular dynamics. This work represents the first measurement, within the same setup, of experimental zT of a single molecule at room temperature and opens new opportunities for the screening of several possible molecules in the light of future thermoelectric applications. The protocol is verified using SAc-OPE3, for which individual measurements for its transport properties exist in the literature.
Targeted cross-linker delivery for the in situ mapping of protein conformations and interactions in mitochondria
Authors: Chen Yuwan , Zhou Wen , Xia Yufei , Zhang Weijie , Zhao Qun , Li Xinwei , Gao Hang , Liang Zhen , Ma Guanghui , Yang Kaiguang , Zhang Lihua , Zhang Yukui 
Published: June 2023

AbstractCurrent methods for intracellular protein analysis mostly require the separation of specific organelles or changes to the intracellular environment. However, the functions of proteins are determined by their native microenvironment as they usually form complexes with ions, nucleic acids, and other proteins. Here, we show a method for in situ cross-linking and analysis of mitochondrial proteins in living cells. By using the poly(lactic-co-glycolic acid) (PLGA) nanoparticles functionalized with dimethyldioctadecylammonium bromide (DDAB) to deliver protein cross-linkers into mitochondria, we subsequently analyze the cross-linked proteins using mass spectrometry. With this method, we identify a total of 74 pairs of protein-protein interactions that do not exist in the STRING database. Interestingly, our data on mitochondrial respiratory chain proteins ( ~ 94%) are also consistent with the experimental or predicted structural analysis of these proteins. Thus, we provide a promising technology platform for in situ defining protein analysis in cellular organelles under their native microenvironment.
Multinuclear 1D and 2D NMR with 19F-Photo-CIDNP hyperpolarization in a microfluidic chip with untuned microcoil
Authors: Gomez M. Victoria , Baas Sander , Velders Aldrik H. 
Published: June 2023

AbstractNuclear Magnetic Resonance (NMR) spectroscopy is a most powerful molecular characterization and quantification technique, yet two major persistent factors limit its more wide-spread applications: poor sensitivity, and intricate complex and expensive hardware required for sophisticated experiments. Here we show NMR with a single planar-spiral microcoil in an untuned circuit with hyperpolarization option and capability to execute complex experiments addressing simultaneously up to three different nuclides. A microfluidic NMR-chip in which the 25 nL detection volume can be efficiently illuminated with laser-diode light enhances the sensitivity by orders of magnitude via photochemically induced dynamic nuclear polarization (photo-CIDNP), allowing rapid detection of samples in the lower picomole range (normalized limit of detection at 600 MHz, nLODf,600, of 0.01 nmol Hz1/2). The chip is equipped with a single planar microcoil operating in an untuned circuit that allows different Larmor frequencies to be addressed simultaneously, permitting advanced hetero-, di- and trinuclear, 1D and 2D NMR experiments. Here we show NMR chips with photo-CIDNP and broadband capabilities addressing two of the major limiting factors of NMR, by enhancing sensitivity as well as reducing cost and hardware complexity; the performance is compared to state-of-the-art instruments.
An analytical framework for decoding cell type-specific genetic variation of gene regulation
Authors: Xiao Yanyu , Wang Jingjing , Li Jiaqi , Zhang Peijing , Li Jingyu , Zhou Yincong , Zhou Qing , Chen Ming , Sheng Xin , Liu Zhihong , Han Xiaoping , Guo Guoji 
Published: June 2023

AbstractA deeper understanding of genetic regulation and functional mechanisms underlying genetic associations with complex traits and diseases is impeded by cellular heterogeneity and linkage disequilibrium. To address these limits, we introduce Huatuo, a framework to decode genetic variation of gene regulation at cell type and single-nucleotide resolutions by integrating deep-learning-based variant predictions with population-based association analyses. We apply Huatuo to generate a comprehensive cell type-specific genetic variation landscape across human tissues and further evaluate their potential roles in complex diseases and traits. Finally, we show that Huatuo’s inferences permit prioritizations of driver cell types associated with complex traits and diseases and allow for systematic insights into the mechanisms of phenotype-causal genetic variation.
Ultrafast imaging of polariton propagation and interactions
Authors: Xu Ding , Mandal Arkajit , Baxter James M. , Cheng Shan-Wen , Lee Inki , Su Haowen , Liu Song , Reichman David R. , Delor Milan 
Published: June 2023

AbstractSemiconductor excitations can hybridize with cavity photons to form exciton-polaritons (EPs) with remarkable properties, including light-like energy flow combined with matter-like interactions. To fully harness these properties, EPs must retain ballistic, coherent transport despite matter-mediated interactions with lattice phonons. Here we develop a nonlinear momentum-resolved optical approach that directly images EPs in real space on femtosecond scales in a range of polaritonic architectures. We focus our analysis on EP propagation in layered halide perovskite microcavities. We reveal that EP–phonon interactions lead to a large renormalization of EP velocities at high excitonic fractions at room temperature. Despite these strong EP–phonon interactions, ballistic transport is maintained for up to half-exciton EPs, in agreement with quantum simulations of dynamic disorder shielding through light-matter hybridization. Above 50% excitonic character, rapid decoherence leads to diffusive transport. Our work provides a general framework to precisely balance EP coherence, velocity, and nonlinear interactions.
Controlled viscous fingering in volatile fluid towards spontaneous evolution of ordered 3D patterns
Authors: Rakshe Makrand A. , Gandhi Prasanna S. 
Published: June 2023

AbstractMimicking nature using artificial technologies has always been a quest/fascination of scientists and researchers of all eras. This paper characterizes viscous fingering instability-based, lithography-less, spontaneous, and scalable process towards fabrication of 3D patterns like nature-inspired honeycomb structures with ultra-high aspect ratio walls. Rich experimental characterization data on volatile polymer solution evolution in a uniport lifted Hele-Shaw cell (ULHSC) is represented on a non-dimensional phase plot. The plot with five orders of magnitude variation of non-dimensional numbers on each axis demarcates the regions of several newly observed phenomena: ‘No retention’, ‘Bridge breaking’, and ‘Wall formation’ with ‘stable’ and ‘unstable’ interface evolution. A new non-dimensional ratio of the velocity of evaporating static interface versus lifting velocity is proposed for the same. This phase plot along with physical insights into the phenomena observed, pave pathways for extending the method to multiport LHSC (MLHSC) to demonstrate multiwell honeycomb structures. The work thus establishes a solid foundation with valuable insights for scalable manufacturing of devices useful for application in biomedical and other domains.
High Chern numbers in a perovskite-derived dice lattice (LaXO3)3/(LaAlO3)3(111) with X = Ti, Mn and Co
Authors: Köksal Okan , Li L. L. , Pentcheva Rossitza 
Published: June 2023

AbstractThe dice lattice, containing a stack of three triangular lattices, has been proposed to exhibit nontrivial flat bands with nonzero Chern numbers, but unlike the honeycomb lattice it is much less studied. By employing density-functional theory (DFT) calculations with an on-site Coulomb repulsion term, we explore systematically the electronic and topological properties of (LaXO3)3/(LaAlO3)3(111) superlattices with X = Ti, Mn and Co, where a LaAlO3 trilayer spacer confines the LaXO3 (LXO) dice lattice. In the absence of spin-orbit coupling (SOC) with symmetry constrained to P3, the ferromagnetic (FM) phase of the LXO(111) trilayers exhibits a half-metallic band structure with multiple Dirac crossings and coupled electron-hole pockets around the Fermi energy. Symmetry lowering induces a significant rearrangement of bands and triggers a metal-to-insulator transition. Inclusion of SOC leads to a substantial anomalous Hall conductivity (AHC) around the Fermi energy reaching values up to $$\sim -3e^2/h$$

∼
-
3

e
2

/
h

for X = Mn and Co in P3 symmetry and both in- and out-of-plane magnetization directions in the first case and along [001] in the latter. The dice lattice emerges as a promising playground to realise nontrivial topological phases with high Chern numbers.
Molecular and biological activities of metal oxide-modified bioactive glass
Authors: Tiama Taha M. , Elhaes Hanan , Ibrahim Medhat A. , Refaat Ahmed , El-Mansy Mohamed A. M. , Sabry Noha M. 
Published: June 2023

AbstractBioactive glass (BG) was prepared by sol–gel method following the composition 60-($$x$$
x
) SiO2.34CaO.6P2O5, where x = 10 (FeO, CuO, ZnO or GeO). Samples were then studied with FTIR. Biological activities of the studied samples were processed with antibacterial test. Model molecules for different glass compositions were built and calculated with density functional theory at B3LYP/6-31 g(d) level. Some important parameters such as total dipole moment (TDM), HOMO/LUMO band gap energy (ΔE), and molecular electrostatic potential beside infrared spectra were calculated. Modeling data indicated that P4O10 vibrational characteristics are enhanced by the addition of SiO2.CaO due to electron rush resonating along whole crystal. FTIR results confirmed that the addition of ZnO to P4O10.SiO2.CaO significantly impacted the vibrational characteristics, unlike the other alternatives CuO, FeO and GeO that caused a smaller change in spectral indexing. The obtained values of TDM and ΔE indicated that P4O10.SiO2.CaO doped with ZnO is the most reactive composition. All the prepared BG composites showed antibacterial activity against three different pathogenic bacterial strains, with ZnO-doped BG demonstrating the highest antibacterial activity, confirming the molecular modeling calculations.
Growth, allergen profile and microbiome studies in Dermatophagoides pteronyssinus cultures
Authors: Calzada D. , Martín-López L. , Carnés Jerónimo 
Published: June 2023

AbstractMites are mass-cultured to manufacture allergen extracts for allergy diagnostics and therapeutic treatment. This study focused on characterizing the growth, the allergen profile, and the microbiome of Dermatophagoides pteronyssinus cultures. Mite population, protein profile, total protein content and major allergen levels (Der p 1, Der p 2, Der p 23) were monitored at different times of three independent cultures. The allergenicity was studied by immunoblot using a pool of sera from allergic patients. Mite microbiome was characterized by sequencing the 16S rRNA gene from 600 adult mites from the last day of the culture. Endotoxin content was also analyzed. The cultures had a fast and unrelenting evolution. Mite density, total protein content, major allergen levels and the allergenicity were increased progressively during the cultures. Regarding the microbiome studies, the results confirm the presence of non-pathogenic bacteria, being firmicutes and actinobacteria the most common bacterial taxa, with a very low content of Gram-negative bacteria and endotoxin content. The allergenicity and levels of the main allergens in the mite cultures are objective methods useful to monitor the mite culture that help to produce standardized allergen extracts. The high presence of Gram-positive bacteria found limits the possibility for vaccine contamination by bacterial endotoxins.
Plasma heavy metal levels correlate with deregulated gene expression of detoxifying enzymes in osteoporotic patients
Authors: Visconti V. V. , Gasperini B. , Greggi C. , Battistini B. , Messina A. , Renzi M. , Bakhtafrouz K. , Iundusi R. , Botta A. , Palombi L. , Tarantino U. 
Published: June 2023

AbstractHeavy metal levels appear to be associated with low bone mineral density (BMD) and the consequent osteoporosis risk, but the relationship with the disease has not been clearly defined. The altered expression pattern of numerous genes, including detoxifying genes, seems to play a pivotal role in this context, leading to increased susceptibility to several diseases, including osteoporosis. The purpose of this study is to analyse circulating heavy metals levels and the expression of detoxifying genes in osteoporotic patients (OPs, n = 31), compared with healthy subjects (CTRs, n = 32). Heavy metals concentration in plasma samples was determined by Inductively Coupled Plasma Mass Spectrometry (ICP-MS), and the subsequent expression analysis of NAD(P)H quinone dehydrogenase 1 (NQO1), Catalase (CAT), and Metallothionein 1E (MT1E) genes in Peripheral Blood Mononuclear Cells (PBMCs) was assessed by real-time polymerase chain reaction (qRT-PCR). Copper (Cu), mercury (Hg), molybdenum (Mo) and lead (Pb) were found to be significantly higher in the plasma of OPs compared to CTRs. Analysis of the expression levels of detoxifying genes showed a significant decrease in CAT and MT1E in OP group. In addition, Cu correlated positively with the expression levels of both CAT and MT1E in CTRs group and MT1E in OPs. This study shows an increased circulating concentration of certain metals combined with an altered expression pattern of detoxifying genes in OPs, highlighting a novel aspect to be investigated in order to better characterize the role of metals in the pathogenesis of osteoporosis.