bluuebunny/crossref_metadata_2025 huggingface dataset:
Genetic model of the El Laco magnetite-apatite deposits by extrusion of iron-rich melt
Authors: Keller Tobias , Tornos Fernando , Hanchar John M. , Pietruszka Dorota K. , Soldati Arianna , Dingwell Donald B. , Suckale Jenny
Published: October 2022

Magnetite-apatite deposits are important sources of iron and other metals. A prominent example are the magnetite lavas at the El Laco volcano, Northern Chile. Their formation processes remain debated. Here, we test the genetic hypothesis that an Fe-rich melt separated from silicate magma and ascended along collapse-related fractures. We complement recent analyses with thermodynamic modelling to corroborate Fe-Si liquid immiscibility evident in melt inclusions at El Laco and present viscometry of Fe- and Si-rich melts to assess the time and length scales of immiscible liquid separation. Using a rock deformation model, we demonstrate that volcano collapse can form failure zones extending towards the edifice flanks along which the ore liquid ascends towards extrusion driven by vapour exsolution despite its high density. Our results support the proposed magmatic genesis for the El Laco deposits. Geochemical and textural similarities indicate magnetite-apatite deposits elsewhere form by similar processes.
Kondo quasiparticle dynamics observed by resonant inelastic x-ray scattering
Authors: Rahn M. C. , Kummer K. , Hariki A. , Ahn K.-H. , Kuneš J. , Amorese A. , Denlinger J. D. , Lu D.-H. , Hashimoto M. , Rienks E. , Valvidares M. , Haslbeck F. , Byler D. D. , McClellan K. J. , Bauer E. D. , Zhu J. X. , Booth C. H. , Christianson A. D. , Lawrence J. M. , Ronning F. , Janoschek M.
Published: October 2022

Effective models focused on pertinent low-energy degrees of freedom have substantially contributed to our qualitative understanding of quantum materials. An iconic example, the Kondo model, was key to demonstrating that the rich phase diagrams of correlated metals originate from the interplay of localized and itinerant electrons. Modern electronic structure calculations suggest that to achieve quantitative material-specific models, accurate consideration of the crystal field and spin-orbit interactions is imperative. This poses the question of how local high-energy degrees of freedom become incorporated into a collective electronic state. Here, we use resonant inelastic x-ray scattering (RIXS) on CePd3 to clarify the fate of all relevant energy scales. We find that even spin-orbit excited states acquire pronounced momentum-dependence at low temperature—the telltale sign of hybridization with the underlying metallic state. Our results demonstrate how localized electronic degrees of freedom endow correlated metals with new properties, which is critical for a microscopic understanding of superconducting, electronic nematic, and topological states.
ChAd155-RSV vaccine is immunogenic and efficacious against bovine RSV infection-induced disease in young calves
Authors: de Jong Rineke , Stockhofe-Zurwieden Norbert , Bonsing Judith , Wang Kai-Fen , Vandepaer Sarah , Bouzya Badiaa , Toussaint Jean-François , Dieussaert Ilse , Song Haifeng , Steff Ann-Muriel
Published: October 2022

Respiratory syncytial virus (RSV) infection causes a substantial lower-respiratory-tract disease burden in infants, constituting a global priority for vaccine development. We evaluated immunogenicity, safety and efficacy of a chimpanzee adenovirus (ChAd)-based vaccine candidate, ChAd155-RSV, in a bovine RSV (bRSV) challenge model. This model closely reproduces the pathogenesis/clinical manifestations of severe pediatric RSV disease. In seronegative calves, ChAd155-RSV elicits robust neutralizing antibody responses against human RSV. Two doses protect calves from clinical symptoms/lung pathological changes, and reduce nasal/lung virus loads after both a short (4-week) and a long (16-week) interval between last immunization and subsequent bRSV challenge. The one-dose regimen confers near-complete or significant protection after short-term or long-term intervals before challenge, respectively. The presence of pre-existing bRSV-antibodies does not affect short-term efficacy of the two-dose regimen. Immunized calves present no clinical signs of enhanced respiratory disease. Collectively, this supports the development of ChAd155-RSV as an RSV vaccine candidate for infants.
Polarized NHE1 and SWELL1 regulate migration direction, efficiency and metastasis
Authors: Zhang Yuqi , Li Yizeng , Thompson Keyata N. , Stoletov Konstantin , Yuan Qinling , Bera Kaustav , Lee Se Jong , Zhao Runchen , Kiepas Alexander , Wang Yao , Mistriotis Panagiotis , Serra Selma A. , Lewis John D. , Valverde Miguel A. , Martin Stuart S. , Sun Sean X. , Konstantopoulos Konstantinos
Published: October 2022

Cell migration regulates diverse (patho)physiological processes, including cancer metastasis. According to the Osmotic Engine Model, polarization of NHE1 at the leading edge of confined cells facilitates water uptake, cell protrusion and motility. The physiological relevance of the Osmotic Engine Model and the identity of molecules mediating cell rear shrinkage remain elusive. Here, we demonstrate that NHE1 and SWELL1 preferentially polarize at the cell leading and trailing edges, respectively, mediate cell volume regulation, cell dissemination from spheroids and confined migration. SWELL1 polarization confers migration direction and efficiency, as predicted mathematically and determined experimentally via optogenetic spatiotemporal regulation. Optogenetic RhoA activation at the cell front triggers SWELL1 re-distribution and migration direction reversal in SWELL1-expressing, but not SWELL1-knockdown, cells. Efficient cell reversal also requires Cdc42, which controls NHE1 repolarization. Dual NHE1/SWELL1 knockdown inhibits breast cancer cell extravasation and metastasis in vivo, thereby illustrating the physiological significance of the Osmotic Engine Model.
Two-dimensional materials-based probabilistic synapses and reconfigurable neurons for measuring inference uncertainty using Bayesian neural networks
Authors: Sebastian Amritanand , Pendurthi Rahul , Kozhakhmetov Azimkhan , Trainor Nicholas , Robinson Joshua A. , Redwing Joan M. , Das Saptarshi
Published: October 2022

Artificial neural networks have demonstrated superiority over traditional computing architectures in tasks such as pattern classification and learning. However, they do not measure uncertainty in predictions, and hence they can make wrong predictions with high confidence, which can be detrimental for many mission-critical applications. In contrast, Bayesian neural networks (BNNs) naturally include such uncertainty in their model, as the weights are represented by probability distributions (e.g. Gaussian distribution). Here we introduce three-terminal memtransistors based on two-dimensional (2D) materials, which can emulate both probabilistic synapses as well as reconfigurable neurons. The cycle-to-cycle variation in the programming of the 2D memtransistor is exploited to achieve Gaussian random number generator-based synapses, whereas 2D memtransistor based integrated circuits are used to obtain neurons with hyperbolic tangent and sigmoid activation functions. Finally, memtransistor-based synapses and neurons are combined in a crossbar array architecture to realize a BNN accelerator for a data classification task.
Mammalian N1-adenosine PARylation is a reversible DNA modification
Authors: Musheev Michael U. , Schomacher Lars , Basu Amitava , Han Dandan , Krebs Laura , Scholz Carola , Niehrs Christof
Published: October 2022

Poly-ADP-ribosylation (PARylation) is regarded as a protein-specific modification. However, some PARPs were recently shown to modify DNA termini in vitro. Here, we use ultrasensitive mass spectrometry (LC-MS/MS), anti-PAR antibodies, and anti-PAR reagents to show that mammalian DNA is physiologically PARylated and to different levels in primary tissues. Inhibition of PAR glycohydrolase (PARG) increases DNA PARylation, supporting that the modification is reversible. DNA PARylation requires PARP1 and in vitro PARP1 PARylates single-stranded DNA, while PARG reverts the modification. DNA PARylation occurs at the N1-position of adenosine residues to form N1-Poly(ADP-ribosyl)-deoxyadenosine. Through partial hydrolysis of mammalian gDNA we identify PAR-DNA via the diagnostic deamination product N1-ribosyl-deoxyinosine to occur in vivo. The discovery of N1-adenosine PARylation as a DNA modification establishes the conceptual and methodological framework to elucidate its biological relevance and extends the role of PARP enzymes.
Remodeling nanodroplets into hierarchical mesoporous silica nanoreactors with multiple chambers
Authors: Ma Yuzhu , Zhang Hongjin , Lin Runfeng , Ai Yan , Lan Kun , Duan Linlin , Chen Wenyao , Duan Xuezhi , Ma Bing , Wang Changyao , Li Xiaomin , Zhao Dongyuan
Published: October 2022

Multi-chambered architectures have attracted much attention due to the ability to establish multifunctional partitions in different chambers, but manipulating the chamber numbers and coupling multi-functionality within the multi-chambered mesoporous nanoparticle remains a challenge. Herein, we propose a nanodroplet remodeling strategy for the synthesis of hierarchical multi-chambered mesoporous silica nanoparticles with tunable architectures. Typically, the dual-chambered nanoparticles with a high surface area of ~469 m2 g−1 present two interconnected cavities like a calabash. Furthermore, based on this nanodroplet remodeling strategy, multiple species (magnetic, catalytic, optic, etc.) can be separately anchored in different chamber without obvious mutual-crosstalk. We design a dual-chambered mesoporous nanoreactors with spatial isolation of Au and Pd active-sites for the cascade synthesis of 2-phenylindole from 1-nitro-2-(phenylethynyl)benzene. Due to the efficient mass transfer of reactants and intermediates in the dual-chambered structure, the selectivity of the target product reaches to ~76.5%, far exceeding that of single-chambered nanoreactors (~41.3%).
The human TRPA1 intrinsic cold and heat sensitivity involves separate channel structures beyond the N-ARD domain
Authors: Moparthi Lavanya , Sinica Viktor , Moparthi Vamsi K. , Kreir Mohamed , Vignane Thibaut , Filipovic Milos R. , Vlachova Viktorie , Zygmunt Peter M.
Published: October 2022

TRP channels sense temperatures ranging from noxious cold to noxious heat. Whether specialized TRP thermosensor modules exist and how they control channel pore gating is unknown. We studied purified human TRPA1 (hTRPA1) truncated proteins to gain insight into the temperature gating of hTRPA1. In patch-clamp bilayer recordings, ∆1–688 hTRPA1, without the N-terminal ankyrin repeat domain (N-ARD), was more sensitive to cold and heat, whereas ∆1–854 hTRPA1, also lacking the S1–S4 voltage sensing-like domain (VSLD), gained sensitivity to cold but lost its heat sensitivity. In hTRPA1 intrinsic tryptophan fluorescence studies, cold and heat evoked rearrangement of VSLD and the C-terminus domain distal to the transmembrane pore domain S5–S6 (CTD). In whole-cell electrophysiology experiments, replacement of the CTD located cysteines 1021 and 1025 with alanine modulated hTRPA1 cold responses. It is proposed that hTRPA1 CTD harbors cold and heat sensitive domains allosterically coupled to the S5–S6 pore region and the VSLD, respectively.
Continuous entanglement distribution over a transnational 248 km fiber link
Authors: Neumann Sebastian Philipp , Buchner Alexander , Bulla Lukas , Bohmann Martin , Ursin Rupert
Published: October 2022

Reliable long-distance distribution of entanglement is a key technique for many quantum applications, most notably quantum key distribution. Here, we present a continuously working, trusted-node free international link between Austria and Slovakia, directly distributing polarization-entangled photon pairs via 248 km of deployed telecommunication fiber. Despite 79 dB loss, we observe stable detected pair rates of 9 s−1over 110 h. We mitigate multi-pair detections with strict temporal filtering, enabled by nonlocal compensation of chromatic dispersion and superconducting nanowire detectors. Fully automatized active polarization stabilization keeps the entangled state’s visibility at 86% for altogether 82 h. In a quantum cryptography context, this corresponds to an asymptotic secure key rate of 1.4 bits/s and 258 kbit of total key, considering finite-key effects. Our work paves the way for low-maintenance, ultra-stable quantum communication over long distances, independent of weather conditions and time of day, thus constituting an important step towards the quantum internet.
Rational consideration of Akkermansia muciniphila targeting intestinal health: advantages and challenges
Authors: Luo Yuheng , Lan Cong , Li Hua , Ouyang Qingyuan , Kong Fanli , Wu Aimin , Ren Zhihua , Tian Gang , Cai Jingyi , Yu Bing , He Jun , Wright André-Denis G.
Published: October 2022

As one of the promising next-generation probiotics (NGPs), Akkermansia muciniphila, a well-known mucin-degrading bacterium, has been proven to be closely related to the metabolic diseases of its human host. However, the role of A. muciniphila in the host’s intestinal health remains ambiguous. Here, we comprehensively summarize and discuss the characteristics, the distribution, and the colonization of A. muciniphila in the human gastrointestinal tract (GIT). We propose that the application of A. muciniphila as a biomarker for longevity, for diagnostics and prognostics of intestinal diseases, or for intestinal health should be cautiously considered. Precise dietary regulation can mediate the treatment of intestinal diseases by altering the abundance of A. muciniphila. Although the beneficial role of A. muciniphila and its component in intestinal inflammation has been discovered, in gnotobiotic mice with specific gut microbiota, certain genotype, and colorectal cancer, or in animal models infected with a specific pathogen, A. muciniphila may be related to the occurrence and development of intestinal diseases. Genomic analysis, emphasizing the strain-level phylogenetic differences of A. muciniphila, indicates that a clear description and discussion of each strain is critical before its practical application. Our review provides much needed insight for the precise application of A. muciniphila.
Structural basis of colibactin activation by the ClbP peptidase
Authors: Velilla José A. , Volpe Matthew R. , Kenney Grace E. , Walsh Richard M. , Balskus Emily P. , Gaudet Rachelle
Published: October 2022

Colibactin, a DNA cross-linking agent produced by gut bacteria, is implicated in colorectal cancer. Its biosynthesis uses a prodrug resistance mechanism: a non-toxic precursor assembled in the cytoplasm is activated after export to the periplasm. This activation is mediated by ClbP, an inner-membrane peptidase with an N-terminal periplasmic catalytic domain and a C-terminal three-helix transmembrane domain. Although the transmembrane domain is required for colibactin activation, its role in catalysis is unclear. Our structure of full-length ClbP bound to a product analog reveals an interdomain interface important for substrate binding and enzyme stability and interactions that explain the selectivity of ClbP for the N-acyl-d-asparagine prodrug motif. Based on structural and biochemical evidence, we propose that ClbP dimerizes to form an extended substrate-binding site that can accommodate a pseudodimeric precolibactin with its two terminal prodrug motifs in the two ClbP active sites, thus enabling the coordinated activation of both electrophilic warheads.
Screening of the siGPCR library in combination with cisplatin against lung cancers
Authors: Kim Youngju , Lee Jieun , Jeong Sumin , Kim Woo-Young , Jeong Euna , Yoon Sukjoon
Published: October 2022

The screening of siRNAs targeting 390 human G protein-coupled receptors (GPCRs) was multiplexed in combination with cisplatin against lung cancer cells. While the cell viability measure hardly captured the anticancer effect of siGPCRs, the direct cell count revealed the anticancer potential of diverse GPCRs (46 hits with > twofold growth inhibition, p-value < 0.01). In combined treatment with cisplatin, siRNAs against five genes (ADRA2A, F2RL3, NPSR1, NPY and TACR3) enhanced the anti-proliferation efficacy on cancer cells and reduced the self-recovery ability of surviving cells after the removal of the combined treatment. Further on-target validation confirmed that the knockdown of TACR3 expression exhibited anticancer efficacy under both single and combined treatment with cisplatin. Q-omics (http://qomics.io) analysis showed that high expression of TACR3 was unfavorable for patient survival, particularly with mutations in GPCR signaling pathways. The present screening data provide a useful resource for GPCR targets and biomarkers for improving the efficacy of cisplatin treatment.
A wearable soft robot that can alleviate the pain and fear of the wearer
Authors: Yim Youchan , Noguchi Yohei , Tanaka Fumihide
Published: October 2022

Social soft robotics may provide a new solution for alleviating human pain and fear. Here, we introduce a hand-held soft robot that can be clenched by the wearer. The robot comprises small airbags that can be inflated to provide the wearer with a feeling of being clenched. We then conducted an in-depth study of 66 adults who participated in a pain research protocol using thermal stimulation to investigate the effect of wearing the robot on pain perception and fear of injections. Pain assessment scale scores for perceived pain decreased significantly$$(p < 0.05)$$(p<0.05)when participants wore the robot compared with the baseline condition in which the robot was not worn. In addition, the saliva test results showed a downward trend in oxytocin level when the robot provided the wearer with haptic feedback via the inflation of the internal airbags in response to the wearer’s clench. Furthermore, the negative psychological state of participants, as measured using the positive and negative affect scale, improved significantly when wearing the robot. We also revealed that the salivary cortisol level, an indicator of stress, decreased significantly across all participants at the end of the experiment. In addition, participants’ fear of injections was significantly improved after participation in the experiment. These results suggest that the wearable soft robot may alleviate the human perception of pain and fear in during medical treatments, such as vaccinations.
Interconnected marine habitats form a single continental-scale reef system in South America
Authors: Carneiro Pedro B. M. , Ximenes Neto Antônio R. , Jucá-Queiroz Bruno , Teixeira Carlos E. P. , Feitosa Caroline V. , Barroso Cristiane X. , Matthews-Cascon Helena , de Morais Jader O. , Freitas João E. P. , Santander-Neto Jones , de Araújo Jorge T. , Monteiro Leonardo H. U. , Pinheiro Lidriana S. , Braga Marcus D. A. , Cordeiro Ralf T. S. , Rossi Sergio , Bejarano Sonia , Salani Sula , Garcia Tatiane M. , Lotufo Tito M. C. , Smith Tyler B. , Faria Vicente V. , Soares Marcelo O.
Published: October 2022

Large gaps in reef distribution may hinder the dispersal of marine organisms, interrupting processes vital to the maintenance of biodiversity. Here we show the presence and location of extensive reef habitats on the continental shelf between the Amazon Reef System (ARS) and the Eastern Brazilian Reef System (ERS), two reef complexes off eastern South America. Formations located 20–50 m deep include both biogenic and geogenic structures. The presence of diverse reef assemblages suggests the widespread occurrence of rocky substrates below 50 m. These habitats represent an expansion of both the ARS and ERS and the closure of the only remaining large-scale gap (~ 1000 km) among West Atlantic reef environments. This indicates that the SW Atlantic harbors a single, yet heterogeneous, reef system that stretches for about 4000 km, and thus, represents one of the largest semi-continuous tropical marine ecosystems in the world.
Mathematical modelling reveals potential acceleration of the supercontinent cycle
Authors: Broussolle Arnaud
Published: October 2022

The supercontinent cycle has been the focus of researchers for many years, but the parameters of its cyclicity remain a central debate; thus, prediction of the occurrence of the next supercontinent remains elusive. In this research, a mathematical point of view is adopted, based on the assumption that the supercontinent Columbia assembled at – 2000 Myr $$\left( {X\left( { - 2} \right)} \right)$$

X

-
2

and the supercontinent Rodinia assembled at – 1000 Myr $$\left( {X\left( { - 1} \right)} \right)$$

X

-
1

. The younger supercontinents are calculated following this mathematical equation: $$X\left( n \right) = 2*X\left( {n - 1} \right) - X\left( {n - 2} \right) - \left( {\frac{540}{{3^{n} }}} \right)$$

X

n

=
2

∗
X

n
-
1

-
X

n
-
2

-

540

3
n

, where $$X\left( n \right)$$

X

n

represents the assembly and n is the position of the supercontinent in the sequence. Therefore, Gondwana $$\left( {X\left( 0 \right)} \right)$$

X

0

amalgamated at -540 Myr, Pangea $$\left( {X\left( 1 \right)} \right)$$

X

1

at – 260 Myr, Eurasia $$\left( {X\left( 2 \right)} \right)$$

X

2

at – 40 Myr and Pangea Proxima $$\left( {X\left( 3 \right)} \right)$$

X

3

might form at + 160 Myr. Moreover, two logarithmic regressions give fairly similar results, confirming that a constant acceleration of the supercontinent cycle is probable. The detrital zircon, metamorphic and hafnium isotope records support the assemblies’ hypotheses that produce the mathematical equation. However, a recent supercontinent or “megacontinent” called Eurasia lacks strong geological evidence in the three datasets. These findings might reconcile the paradox brought about by the closer ages in time for the Earth’s more recent supercontinental assemblies and the assumed constant cyclicity of the cycle.
Subcutaneously implantable electromagnetic biosensor system for continuous glucose monitoring
Authors: Kim Seongmun , Malik Jagannath , Seo Jong Mo , Cho Young Min , Bien Franklin
Published: October 2022

Continuous glucose monitoring systems (CGMS) are becoming increasingly popular in diabetes management compared to conventional methods of self-blood glucose monitoring systems. They help understanding physiological responses towards nutrition intake, physical activities in everyday life and glucose control. CGMS available in market are of two types based on their working principle. Needle type systems with few weeks lifespan (e.g., enzyme-based Freestyle Libre) and implant type system (e.g., fluorescence-based Senseonics) with few months of lifespan are commercially available. An alternate to both working methods, herein, we propose electromagnetic-based sensor that can be subcutaneously implanted and capable of tracking minute changes in dielectric permittivity owing to changes in blood glucose level (BGL). Proof-of-concept of proposed electromagnetic-based implant sensor has been validated in intravenous glucose tolerance test (IVGTT) conducted on swine and beagle in a controlled environment. Sensor interface modules, mobile applications, and glucose mapping algorithms are also developed for continuous measurement in a freely moving beagle during oral glucose tolerance test (OGTT). The results of the short-term (1 h, IVGTT) and long-term (52 h, OGTT) test are summarized in this work. A close trend is observed between sensor frequency and BGL during GTT experiments on both animal species.
Identification of cuproptosis-related subtypes and development of a prognostic signature in colorectal cancer
Authors: Huang Yan , Yin Dongzhi , Wu Lina
Published: October 2022

Cuproptosis, a novel form of copper-mediated regulated cell death, participates in tumor progression. However, the role of cuproptosis-related genes (CRGs) in colorectal cancer (CRC) remains unclear. We aimed to investigate the cuproptosis subtypes and build a predictive model to improve the prognosis of patients with CRC. Gene expression data were downloaded from the TCGA database to identify distinct molecular subtypes using a non-negative matrix factorization algorithm. A robust and efficient prognostic signature was constructed by performing multivariate Cox regression analysis and further validated using the Gene Expression Omnibus cohort. Based on the gene expression matrix of CRC, the abundance of infiltrating immune cells and tumour microenvironment scores were calculated using the CIBERSORT and ESTIMATE algorithms, respectively. The pRRophetic algorithm was used to predict the sensitivity of the patients to different chemotherapy drugs. Two distinct molecular subtypes were identified based on 41 CRGs, with subtype C1 being characterized by an advanced clinical stage and worse overall survival. A prognostic signature was constructed based on the DEGs between the two cuproptosis subtypes, and its predictive ability was validated in an external database. Patients with CRC who belonged to the low-risk group had significantly higher survival rates than those who belonged to the high-risk group. Additionally, it remained a valid prognostic indicator in strata of age, sex, tumor location, and TNM stage, and its significance persisted after the multivariate Cox regression analysis. By further analyzing the prognostic signature, a higher immune score was observed in the low-risk group, which presented a better prognosis. AKT.inhibitor.VIII, doxorubicin, lenalidomide, and tipiparnib were more sensitive in the high-risk score group. A highly accurate nomogram was constructed to improve clinical application of the risk score. Compared with an ideal nomogram, our model, consisting of clinicopathological features, performed well in predicting patient survival. In conclusion, our study provides new ways and perspectives for the prediction of the prognosis of patients with CRC and guide more effective treatment regimens.
Heated tobacco products and circulating high-density lipoprotein cholesterol concentrations
Authors: Hu Huan , Nakagawa Tohru , Honda Toru , Yamamoto Shuichiro , Miyamoto Toshiaki , Okazaki Hiroko , Eguchi Masafumi , Shirasaka Taiki , Kochi Takeshi , Kabe Isamu , Tomizawa Aki , Miki Takako , Fukunaga Ami , Yamamoto Shohei , Inoue Yosuke , Konishi Maki , Miyake Haruka , Dohi Seitaro , Mizoue Tetsuya
Published: October 2022

We aimed to assess the association between heated tobacco product (HTP) use and high-density lipoprotein cholesterol (HDL-C) concentration. Our study included 12,268 workers from five companies (Study I) and 36,503 workers from another large company (Study II). Participants were categorized into five groups: never smokers, past smokers, exclusive HTP users, dual users of cigarettes and HTPs, and exclusive cigarette smokers. We analyzed the data of Studies I and II separately and then pooled these estimates using a fixed-effect model. Of the 48,771 participants, 9.3% were exclusive HTP users, and 6.0% were dual users. Exclusive HTP users had modestly but significantly lower concentrations of HDL-C than never smokers, with the pooled mean difference being − 1.1 (95% CI − 1.5 to − 0.6) mg/dL. Dual users showed a further reduction (mean difference − 3.7 (− 4.2 to − 3.2) mg/dL), which was comparable to that of exclusive cigarette smokers versus never smokers (mean difference − 4.3 (− 4.7 to − 3.9) mg/dL). The pooled odds ratios (95% CIs) of having low HDL-C (< 40 mg/dL for men and 50 mg/dL for women) were 1, 0.99 (0.90–1.11), 1.25 (1.09–1.43), 2.02 (1.76–2.32), and 2.09 (1.88–2.32) for never smokers, past smokers, exclusive HTP users, dual users, and exclusive cigarette smokers, respectively. In conclusion, exclusive HTP users had lower HDL-C concentrations than never smokers, although higher than exclusive cigarette smokers. Moreover, dual users had HDL-C concentrations similar to those in exclusive cigarette smokers.
Fold-change of chromatin condensation in yeast is a conserved property
Authors: Yamin Katreena , Bijlani Swati , Berman Judith , Soni Awakash , Shlomai Joseph , Buragohain Bijoy Mukut , Werbner Michal , Gal-Tanamy Meital , Matityahu Avi , Onn Itay
Published: October 2022

During mitosis, chromatin is condensed and organized into mitotic chromosomes. Condensation is critical for genome stability and dynamics, yet the degree of condensation is significantly different between multicellular and single-cell eukaryotes. What is less clear is whether there is a minimum degree of chromosome condensation in unicellular eukaryotes. Here, we exploited two-photon microscopy to analyze chromatin condensation in live and fixed cells, enabling studies of some organisms that are not readily amenable to genetic modification. This includes the yeasts Saccharomyces cerevisiae, Schizosaccharomyces pombe, Kluyveromyces lactis, and Candida albicans, as well as a protist Trypanosoma brucei. We found that mitotic chromosomes in this range of species are condensed about 1.5-fold relative to interphase chromatin. In addition, we used two-photon microscopy to reveal that chromatin reorganization in interphase human hepatoma cells infected by the hepatitis C virus is decondensed compared to uninfected cells, which correlates with the previously reported viral-induced changes in chromatin dynamics. This work demonstrates the power of two-photon microscopy to analyze chromatin in a broad range of cell types and conditions, including non-model single-cell eukaryotes. We suggest that similar condensation levels are an evolutionarily conserved property in unicellular eukaryotes and important for proper chromosome segregation. Furthermore, this provides new insights into the process of chromatin condensation during mitosis in unicellular organisms as well as the response of human cells to viral infection.
Efficacy and safety of pre-gastroscopy commercial carbohydrate-rich whey protein beverage vs. plain water: a randomised controlled trial
Authors: Lua Bee Chen , Md Hashim Mohd Nizam , Wong Mung Seong , Lee Yeong Yeh , Zakaria Andee Dzulkarnaen , Zakaria Zaidi , Wan Zain Wan Zainira , Syed Abd Aziz Syed Hassan , Yahya Maya Mazuwin , Wong Michael Pak-Kai
Published: October 2022

Clinical benefits and safety of carbohydrate loading pre-gastroscopy remain unclear. We aimed to determine the effects of a commercial carbohydrate-rich whey protein beverage versus plain water given pre-gastroscopy on gastric residual volume and well-being, and to determine adverse events. This was a single centre, single-blinded, parallel-group, sex-stratified randomized controlled trial. Participants were randomized either to carbohydrate-rich whey protein beverage group (Resource®, Nestle Health Science) or control group (250 ml plain water) given pre-gastroscopy. Gastric contents were aspirated into a suction reservoir bottle to determine the gastric residual volume (GRV). Visual analogue scale (VAS) of well-being (anxiety, hunger, thirst, tiredness, and weakness) was compared before and after the intervention. Adverse events were also evaluated post-intervention. Of 369 screened, 78 participants (36 males, mean age 49 ± 14.3 years) were randomized. Compared with the control group, carbohydrate beverage was associated with significantly higher GRV (p < 0.001). Anxiety was less after intervention with carbohydrate beverage (p = 0.016), and after adjustment for confounders, fewer participants also experienced hunger (p = 0.043) and thirst (p = 0.021). No serious adverse events were reported with both interventions. Commercial carbohydrate-rich whey protein beverage is associated with higher gastric residual volume, better well-being and safe.

Trial registrationClinicaltrial.gov. Identifier: NCT03948594, Date of registration: 14/05/2019.
Exploring associations of anthropometric parameters and serum triglycerides with serum thyroid hormones in young women
Authors: Lisowska-Myjak Barbara , Zborowska Hanna , Białek Sławomir , Wroczyński Piotr , Kuch Marek , Skarżyńska Ewa
Published: October 2022

Establishing links between serum thyroid hormone panel and triglyceride (TG) concentrations with non-invasively obtained measurements of anthropometric parameters of young women may provide preliminary knowledge about the homeostasis of metabolic processes and body composition and about the strategic role of the tested parameters as early screening tests for assessing the health status of apparently healthy women in the period preceding pregnancy. The study was conducted in 381 healthy female students (aged 18–26 years, mean ± SD = 22.1 ± 1.3). Anthropometric indices (BMI, waist-to-hip ratio, FAT%) were calculated and serum concentrations of thyroid hormones (TSH, fT3, fT4) were determined using electrochemiluminescence immunoassays and serum triglycerides (TG) with a commercially available test. No association was established between serum TSH and anthropometric indices in healthy young women. Increased serum concentrations of fT4, fT3 and TG were found in overweight subjects, i.e. BMI > 24.9 kg/m2 (p < 0.05). A significant negative association between fT3 and TG was found in underweight subjects (r = − 0.258, p = 0.049) and a significantly positive association in normal-weight subjects (r = 0.139, p = 0.019). In healthy young women differences in BMI are not related to thyroid function. The opposite directions between the associations fT3 vs TG in underweight compared to normal-weight young prepregnant females may suggest dependencies of fT3 and TG in the regulation of specific BMI-dependent metabolic processes.
Analysis of spatial and temporal impact differences of birth rate in mainland China
Authors: Zhang Jinwei , Ding Shuzhen , Hu Xijian
Published: October 2022

The continuing decline in the birth rate has led to a series of problems, such as the disproportion of population structure and severe aging population, which have restricted the country’s economic development. To have a deeper understanding of the geographical differences and influencing factors of the birth rate, this paper collects and organizes the birth population data of 31 provinces in mainland China from 2011 to 2019. The national region is divided into seven natural geographical regions to obtain the spatial hierarchy, and a hierarchical Bayesian Spatio-temporal model is established. The INLA algorithm estimates the model parameters. The results show significant spatial and temporal differences in birth rates in mainland China, which are reflected mainly in the combination of spatial, temporal, and Spatio-temporal interaction effects. In the spatial dimension, the northeast is low, the northwest and southwest are high, and the birth rate has an upward trend from east to west. These trends are caused by unbalanced economic development, different fertility attitudes and differences in fertility security, reflecting regional differences in spatial effects. From 2011 to 2019, China’s birth rate showed an overall downward trend in the time dimension. However, all regions except the northeast saw a significant but temporary increase in birth rates in 2016 and 2017, reflecting the temporal effect difference in birth rates.
Enhanced CHOLESTEROL biosynthesis promotes breast cancer metastasis via modulating CCDC25 expression and neutrophil extracellular traps formation
Authors: Tang Qiqi , Liang Beibei , Zhang Lisha , Li Xuhui , Li Hengyu , Jing Wei , Jiang Yingjie , Zhou Felix , Zhang Jian , Meng Yanchun , Yang Xinhua , Yang Hao , Huang Gang , Zhao Jian
Published: October 2022

Neutrophil extracellular traps (NETs) has been demonstrated to regulate the metastasis of breast cancer. In this study, we showed that de novo cholesterol biosynthesis induced by ASPP2 depletion in mouse breast cancer cell 4T1 and human breast cancer cell MDA-MB-231 promoted NETs formation in vitro, as well as in lung metastases in mice intravenously injected with ASPP2-deficient 4T1 cells. Simvastatin and berberine (BBR), cholesterol synthesis inhibitors, efficiently blocked ASPP2-depletion induced NETs formation. Cholesterol biosynthesis greatly enhanced Coiled-coil domain containing protein 25 (CCDC25) expression on cancer cells as well as in lung metastases. CCDC25 expression was co-localized with caveolin-1, a lipid raft molecule, and was damped by inhibitor of lipid rafts formation. Our data suggest that cholesterol biosynthesis promotes CCDC25 expression in a lipid raft-dependent manner. Clinically, the expression of CCDC25 was positively correlated with the expression of 3-hydroxy-3-methylglutaryl-CoAreductase (HMRCG), and citrullinated histone H3 (H3cit), in tissues from breast cancer patients. High expression of CCDC25 and HMGCR was related with worse prognosis in breast cancer patients. In conclusion, our study explores a novel mechanism for de novo cholesterol biosynthesis in the regulation of CCDC25 expression, NETs formation and breast cancer metastasis. Targeting cholesterol biosynthesis may be promising therapeutic strategies to treat breast cancer metastasis.
A new human-inspired metaheuristic algorithm for solving optimization problems based on mimicking sewing training
Authors: Dehghani Mohammad , Trojovská Eva , Zuščák Tomáš
Published: October 2022

This paper introduces a new human-based metaheuristic algorithm called Sewing Training-Based Optimization (STBO), which has applications in handling optimization tasks. The fundamental inspiration of STBO is teaching the process of sewing to beginner tailors. The theory of the proposed STBO approach is described and then mathematically modeled in three phases: (i) training, (ii) imitation of the instructor’s skills, and (iii) practice. STBO performance is evaluated on fifty-two benchmark functions consisting of unimodal, high-dimensional multimodal, fixed-dimensional multimodal, and the CEC 2017 test suite. The optimization results show that STBO, with its high power of exploration and exploitation, has provided suitable solutions for benchmark functions. The performance of STBO is compared with eleven well-known metaheuristic algorithms. The simulation results show that STBO, with its high ability to balance exploration and exploitation, has provided far more competitive performance in solving benchmark functions than competitor algorithms. Finally, the implementation of STBO in solving four engineering design problems demonstrates the capability of the proposed STBO in dealing with real-world applications.
A context-aware deconfounding autoencoder for robust prediction of personalized clinical drug response from cell-line compound screening
Authors: He Di , Liu Qiao , Wu You , Xie Lei
Published: October 2022

Accurate and robust prediction of patient-specific responses to a new compound is critical to personalized drug discovery and development. However, patient data are often too scarce to train a generalized machine learning model. Although many methods have been developed to utilize cell-line screens for predicting clinical responses, their performances are unreliable owing to data heterogeneity and distribution shift. Here we have developed a novel context-aware deconfounding autoencoder (CODE-AE) that can extract intrinsic biological signals masked by context-specific patterns and confounding factors. Extensive comparative studies demonstrated that CODE-AE effectively alleviated the out-of-distribution problem for the model generalization and significantly improved accuracy and robustness over state-of-the-art methods in predicting patient-specific clinical drug responses purely from cell-line compound screens. Using CODE-AE, we screened 59 drugs for 9,808 patients with cancer. Our results are consistent with existing clinical observations, suggesting the potential of CODE-AE in developing personalized therapies and drug response biomarkers.
Non-wetting of condensation-induced droplets on smooth monolayer suspended graphene with contact angle approaching 180 degrees
Authors: Wang Haidong , Orejon Daniel , Song Dongxing , Zhang Xing , McHale Glen , Takamatsu Hiroshi , Takata Yasuyuki , Sefiane Khellil
Published: October 2022

Superhydrophobicity is usually achieved by a combination of chemical hydrophobicity and surface topography due to an inability to attain complete non-wetting on the smooth surface of existing materials. Here, we experimentally report high non-wetting of condensation-induced droplets with contact angles approaching 180° on a smooth surface of suspended monolayer of graphene. Such highly non-wetting droplets are found on suspended monolayer graphene open to the water vapour saturated environment on both sides. Simultaneous observations of droplets condensing on monolayer and multilayer supported and suspended graphene demonstrates that this non-wetting behaviour may be unique to suspended monolayer graphene. These results anticipate that interactions between liquid molecules across a suspended monolayer isolated from a bulk substrate may induce high non-wetting beyond that possible on smooth hydrophobic or atomically flat supported monolayer surfaces.
Rheology of nanocrystal-bearing andesite magma and its roles in explosive volcanism
Authors: Okumura Satoshi , Uesugi Kentaro , Goto Akio , Sakamaki Tatsuya , Matsumoto Kazuhisa , Takeuchi Akihisa , Miyake Akira
Published: October 2022

Recent petrological and experimental studies have proposed that explosive volcanism may originate from the formation of nanoscale crystals in magma and the resultant ductile–brittle transition. However, the rheology of magma with quantified volume fractions of nanoscale crystals has not been investigated before, and thus, the formation of nanoscale crystals causing magma fragmentation that explains the origin of explosive eruptions is not conclusive. Here, we investigate the rheology of andesite magma with nanoscale crystals (magnetite). For this, a glass fibre elongation experimental apparatus with a heating furnace was developed at the synchrotron radiation X-ray system (SPring-8). During melt elongation, we observed the formation of crystals using small-angle X-ray scattering and wide-angle X-ray diffraction. Our experimental data demonstrate that magma viscosity increases with the formation of nanoscale crystals, but the degree of the increase is much lower than that predicted from analogue materials. Finally, we conclude that nanocrystal formation in intermediate composition magmas cannot explain rheological transition and other mechanisms such as nanocrystal agglomeration (not observed in our experiments) and/or heterogeneous nucleation of gas bubbles on nanocrystals are required to induce mafic to intermediate explosive volcanisms.
Zwitterionicversusorganic ionic plastic crystal electrolytes with mixed anions: probing the unique physicochemical and electrolyte properties
Authors: Makhlooghiazad Faezeh , O'Dell Luke A. , Pringle Jennifer M.
Published: October 2022

Novel solid-state electrolytes based on zwitterionic plastic crystals with Li salts are reported and their application in Li batteries demonstrated. Their properties are compared with those of analogous plastic crystal/Li salt systems.
Inhibition and eradication of bacterial biofilm using polymeric materials
Authors: Banerjee Arnab , Chowdhury Pampa , Bauri Kamal , Saha Biswajit , De Priyadarsi
Published: October 2022

This review comprehensively highlights the progress made in inhibiting or eradicating bacterial biofilms using a diverse class of polymeric materials with particular emphasis on their underlying antibiofilm mechanisms.
Nano-integrated cascade antioxidases opsonized by albumin bypass the blood–brain barrier for treatment of ischemia-reperfusion injury
Authors: Wang Wuxuan , Zhang Zheng , Liu Yi , Kong Lingqi , Li Wenyu , Hu Wei , Wang Yucai , Liu Xinfeng
Published: October 2022

Potent antioxidative drugs are urgently needed to treat ischemia-reperfusion (I/R) induced reactive oxygen species (ROS)-mediated cerebrovascular and neural injury during ischemia strokes.
A phosphine-based redox method for direct conjugation of disulfides
Authors: Lu Yong , You Lin , Chen Chuo
Published: October 2022

Redox-assisted Disulfide Direct Conjugation (RDDC) allows for disulfide functionalization under mild aqueous conditions without prior reduction.
Promethium trifluoride: polymorphism and the structure of modifications on the model crystal 61(Ce0.5Gd0.5)F3. Part I. Structural and chemical modelling of “pseudo 61PmF3” in a short quasi-system “from CeF3 to GdF3”
Authors: Sobolev Boris P. , Sulyanova Elena A.
Published: October 2022

The structural and chemical modelling of PmF3.
New Talent 2022
Authors: Doonan Christian , Lee Kwangyeol
Published: October 2022

Christian Doonan and Kwangyeol Lee introduce the CrystEngComm themed issue “New Talent 2022”.
Penta-BCN monolayer: a metal-free photocatalyst with a high carrier mobility for water splitting
Authors: Wang Chun , Zhou Xiaocheng , Li Yafei
Published: October 2022

The penta-BCN monolayer is semiconducting with a considerable band gap and shows appropriate band edge positions for photocatalytic water splitting.
The involvement of triplet states in the isomerization of retinaloids
Authors: Filiba Ofer , Borin Veniamin A. , Schapiro Igor
Published: October 2022

The elevated value of spin–orbit coupling matrix elements during photoisomerisation of retinal chromophores and their Schiff base analogues.
Nonequilibrium thermodynamic material transport equations for thermodiffusion of isotopes and isomers in multicomponent systems
Authors: Semenov Semen N. , Schimpf Martin E.
Published: October 2022

The Soret coefficients for n-heptane and 2-methylhexane in binary and ternary solutions with benzene at different volume fractions of isomers Φ.
Does liquid–liquid phase separation impact ice nucleation in mixed polyethylene glycol and ammonium sulfate droplets?
Authors: Yao Yao , Alpert Peter A. , Zuend Andreas , Wang Bingbing
Published: October 2022

The mixed aqueous polyethylene glycol and ammonium sulfate droplets with or without liquid–liquid phase separation in a closed system freeze through homogeneous ice nucleation.
Scalable graph neural network for NMR chemical shift prediction
Authors: Han Jongmin , Kang Hyungu , Kang Seokho , Kwon Youngchun , Lee Dongseon , Choi Youn-Suk
Published: October 2022

We present a scalable graph neural network (GNN) with improved message passing and readout functions for the fast and accurate prediction of nuclear magnetic resonance (NMR) chemical shifts.
Photocatalytic activation of TiO2-functionalized anodic aluminium oxide for electroless copper deposition
Authors: Stefanov Bozhidar I. , Milusheva Vesselina S. , Kolev Hristo G. , Tzaneva Boriana R.
Published: October 2022

TiO2/AAO allows for a spatial photodeposition of copper seeds under UV illumination through a photomask, which along with its improved chemical stability allows for the additive deposition of conductive Cu patterns in an alkaline electroless Cu bath.
Bimetallic single atom promoted α-MnO2 for enhanced catalytic oxidation of 5-hydroxymethylfurfural
Authors: Liao Xuemei , Guo Mengdie , Tang Wei , Liu Changwen , Luo Wei , Tan Lei , Noguchi Tomohiro G. , Yamauchi Miho , Zhao Yonghui , Li Xiaopeng
Published: October 2022

Bimetallic single atoms (Pd and Ni) work in synergy to promote the catalytic performance of α-MnO2, enabling a near unity conversion of HMF to DFF under mild conditions.
Improving the LIBS analysis of heavy metals in heterogeneous agricultural samples utilizing large laser spotting
Authors: Lednev V. N. , Sdvizhenskii P. A. , Grishin M. Ya. , Gudkov S. V. , Dorokhov A. S. , Bunkin A. F. , Pershin S. M.
Published: October 2022

Improving the laser-induced breakdown spectroscopy analysis of heterogeneous agricultural samples utilizing large laser spotting.
3D printing-enabled uniform temperature distributions in microfluidic devices
Authors: Sanchez Derek , Hawkins Garrett , Hinnen Hunter S. , Day Alison , Woolley Adam T. , Nordin Gregory P. , Munro Troy
Published: October 2022

New heater geometries enabled by 3D printing provide improved spatial temperature distributions to typical heaters, validated through simulations and experiments. A first set of design rules to guide truly 3D microfluidic heater design is provided.
A self-consistent model to link surface electronic band structure to the voltage dependence of hot electron induced molecular nanoprobe experiments
Authors: Sloan Peter A. , Rusimova Kristina R.
Published: October 2022

We use nonlocal manipulation of single molecules as a nanoprobe for the fate of hot charge carriers to extract quantitative measurement from the scanning tunnelling microscope before the charges have thermalised.