bluuebunny/crossref_metadata_2025_split huggingface dataset:
Fluidic bacterial diodes rectify magnetotactic cell motility in porous environments
Authors: Waisbord Nicolas , Dehkharghani Amin , Guasto Jeffrey S. 
Published: October 2021

AbstractDirected motility enables swimming microbes to navigate their environment for resources via chemo-, photo-, and magneto-taxis. However, directed motility competes with fluid flow in porous microbial habitats, affecting biofilm formation and disease transmission. Despite this broad importance, a microscopic understanding of how directed motility impacts the transport of microswimmers in flows through constricted pores remains unknown. Through microfluidic experiments, we show that individual magnetotactic bacteria directed upstream through pores display three distinct regimes, whereby cells swim upstream, become trapped within a pore, or are advected downstream. These transport regimes are reminiscent of the electrical conductivity of a diode and are accurately predicted by a comprehensive Langevin model. The diode-like behavior persists at the pore scale in geometries of higher dimension, where disorder impacts conductivity at the sample scale by extending the trapping regime over a broader range of flow speeds. This work has implications for our understanding of the survival strategies of magnetotactic bacteria in sediments and for developing their use in drug delivery applications in vascular networks.
Simulating quantum computations with Tutte polynomials
Authors: Mann Ryan L. 
Published: October 2021

AbstractWe establish a classical heuristic algorithm for exactly computing quantum probability amplitudes. Our algorithm is based on mapping output probability amplitudes of quantum circuits to evaluations of the Tutte polynomial of graphic matroids. The algorithm evaluates the Tutte polynomial recursively using the deletion–contraction property while attempting to exploit structural properties of the matroid. We consider several variations of our algorithm and present experimental results comparing their performance on two classes of random quantum circuits. Further, we obtain an explicit form for Clifford circuit amplitudes in terms of matroid invariants and an alternative efficient classical algorithm for computing the output probability amplitudes of Clifford circuits.
Preclinical development of a Pfs230-Pfs48/45 chimeric malaria transmission-blocking vaccine
Authors: Singh Susheel K. , Plieskatt Jordan , Chourasia Bishwanath K. , Singh Vandana , Bengtsson Karin Lövgren , Reimer Jenny M. , van Daalen Renate C. , Teelen Karina , van de Vegte-Bolmer Marga , van Gemert Geert-Jan , Jore Matthijs M. , Theisen Michael 
Published: October 2021

AbstractThe Plasmodium falciparum Pfs230 and Pfs48/45 proteins are leading candidates for a malaria transmission-blocking vaccine (TBV). Previously, we showed that a Pfs230–Pfs48/45 fusion protein elicits higher levels of functional antibodies than the individual antigens, but low yields hampered progression to clinical evaluation. Here we identified a modified construct (ProC6C) with a circumsporozoite protein (CSP) repeat-linker sequence that enhances expression. A scalable and reproducible process in the Lactococcus lactis expression system was developed and ProC6C was successfully transferred for manufacturing under current Good Manufacturing Practices (cGMP). In addition, a panel of analytical assays for release and stability were developed. Intact mass spectrometry analysis and multiangle light scattering showed that the protein contained correct disulfide bonds and was monomeric. Immunogenicity studies in mice showed that the ProC6C adsorbed to Alhydrogel®, with or without Matrix-MTM, elicited functional antibodies that reduced transmission to mosquitoes and sporozoite invasion of human hepatocytes. Altogether, our data support manufacture and clinical evaluation of ProC6C as a multistage malaria-vaccine candidate.
Effect of Delta variant on viral burden and vaccine effectiveness against new SARS-CoV-2 infections in the UK
Authors: Pouwels Koen B. , Pritchard Emma , Matthews Philippa C. , Stoesser Nicole , Eyre David W. , Vihta Karina-Doris , House Thomas , Hay Jodie , Bell John I. , Newton John N. , Farrar Jeremy , Crook Derrick , Cook Duncan , Rourke Emma , Studley Ruth , Peto Tim E. A. , Diamond Ian , Walker A. Sarah 
Published: October 2021

AbstractThe effectiveness of the BNT162b2 and ChAdOx1 vaccines against new severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infections requires continuous re-evaluation, given the increasingly dominant B.1.617.2 (Delta) variant. In this study, we investigated the effectiveness of these vaccines in a large, community-based survey of randomly selected households across the United Kingdom. We found that the effectiveness of BNT162b2 and ChAdOx1 against infections (new polymerase chain reaction (PCR)-positive cases) with symptoms or high viral burden is reduced with the B.1.617.2 variant (absolute difference of 10–13% for BNT162b2 and 16% for ChAdOx1) compared to the B.1.1.7 (Alpha) variant. The effectiveness of two doses remains at least as great as protection afforded by prior natural infection. The dynamics of immunity after second doses differed significantly between BNT162b2 and ChAdOx1, with greater initial effectiveness against new PCR-positive cases but faster declines in protection against high viral burden and symptomatic infection with BNT162b2. There was no evidence that effectiveness varied by dosing interval, but protection was higher in vaccinated individuals after a prior infection and in younger adults. With B.1.617.2, infections occurring after two vaccinations had similar peak viral burden as those in unvaccinated individuals. SARS-CoV-2 vaccination still reduces new infections, but effectiveness and attenuation of peak viral burden are reduced with B.1.617.2.
Fractional order stagnation point flow of the hybrid nanofluid towards a stretching sheet
Authors: Saeed Anwar , Bilal Muhammad , Gul Taza , Kumam Poom , Khan Amir , Sohail Muhammad 
Published: October 2021

AbstractFractional calculus characterizes a function at those points, where classical calculus failed. In the current study, we explored the fractional behavior of the stagnation point flow of hybrid nano liquid consisting of TiO2 and Ag nanoparticles across a stretching sheet. Silver Ag and Titanium dioxide TiO2 nanocomposites are one of the most significant and fascinating nanocomposites perform an important role in nanobiotechnology, especially in nanomedicine and for cancer cell therapy since these metal nanoparticles are thought to improve photocatalytic operation. The fluid movement over a stretching layer is subjected to electric and magnetic fields. The problem has been formulated in the form of the system of PDEs, which are reduced to the system of fractional-order ODEs by implementing the fractional similarity framework. The obtained fractional order differential equations are further solved via fractional code FDE-12 based on Caputo derivative. It has been perceived that the drifting velocity generated by the electric field E significantly improves the velocity and heat transition rate of blood. The fractional model is more generalized and applicable than the classical one.
MORC3, a novel MIWI2 association partner, as an epigenetic regulator of piRNA dependent transposon silencing in male germ cells
Authors: Kojima-Kita Kanako , Kuramochi-Miyagawa Satomi , Nakayama Manabu , Miyata Haruhiko , Jacobsen Steven E. , Ikawa Masahito , Koseki Haruhiko , Nakano Toru 
Published: October 2021

AbstractThe PIWI (P-element-induced wimpy testis)-interacting-RNA (piRNA) pathway plays a crucial role in the repression of TE (transposable element) expression via de novo DNA methylation in mouse embryonic male germ cells. Various proteins, including MIWI2 are involved in the process. TE silencing is ensured by piRNA-guided MIWI2 that recruits some effector proteins of the DNA methylation machinery to TE regions. However, the molecular mechanism underlying the methylation is complex and has not been fully elucidated. Here, we identified MORC3 as a novel associating partner of MIWI2 and also a nuclear effector of retrotransposon silencing via piRNA-dependent de novo DNA methylation in embryonic testis. Moreover, we show that MORC3 is important for transcription of piRNA precursors and subsequently affects piRNA production. Thus, we provide the first mechanistic insights into the role of this effector protein in the first stage of piRNA biogenesis in embryonic TE silencing mechanism.
Novel﻿ markers to early detect degradation on cellulose nitrate-based heritage at the submicrometer level using synchrotron UV–VIS multispectral luminescence
Authors: Neves Artur , Ramos Ana Maria , Callapez Maria Elvira , Friedel Robert , Réfrégiers Matthieu , Thoury Mathieu , Melo Maria João 
Published: October 2021

AbstractCellulose nitrate (CN) is an intrinsically unstable material that puts at risk the preservation of a great variety of objects in heritage collections, also posing threats to human health. For this reason, a detailed investigation of its degradation mechanisms is necessary to develop sustainable conservation strategies. To investigate novel probes of degradation, we implemented deep UV photoluminescence micro spectral-imaging, for the first time, to characterize a corpus of historical systems composed of cellulose nitrate. The analysis of cinematographic films and everyday objects dated from the nineteenth c./early twentieth c. (Perlov's collection), as well as of photo-aged CN and celluloid references allowed the identification of novel markers that correlate with different stages of CN degradation in artworks, providing insight into the role played by plasticizers, fillers, and other additives in stability. By comparison with photoaged references of CN and celluloid (70% CN and 30% camphor), it was possible to correlate camphor concentration with a higher rate of degradation of the cinematographic films. Furthermore, the present study investigates, at the sub-microscale, materials heterogeneity that correlates to the artworks' history, associating the different emission profiles of zinc oxide to specific color formulations used in the late nineteenth and early twentieth centuries.
General decline in the diversity of the airborne microbiota under future climatic scenarios
Authors: Ontiveros Vicente J. , Cáliz Joan , Triadó-Margarit Xavier , Alonso David , Casamayor Emilio O. 
Published: October 2021

AbstractMicroorganisms attached to aerosols can travel intercontinental distances, survive, and further colonize remote environments. Airborne microbes are influenced by environmental and climatic patterns that are predicted to change in the near future, with unknown consequences. We developed a new predictive method that dynamically addressed the temporal evolution of biodiversity in response to environmental covariates, linked to future climatic scenarios of the IPCC (AR5). We fitted these models against a 7-year monitoring of airborne microbes, collected in wet depositions. We found that Bacteria were more influenced by climatic variables than by aerosols sources, while the opposite was detected for Eukarya. Also, model simulations showed a general decline in bacterial richness, idiosyncratic responses of Eukarya, and changes in seasonality, with higher intensity within the worst-case climatic scenario (RCP 8.5). Additionally, the model predicted lower richness for airborne potential eukaryotic (fungi) pathogens of plants and humans. Our work pioneers on the potential effects of environmental variability on the airborne microbiome under the uncertain context of climate change.
Clinical parameters and biological markers associated with acute severe ocular complications in Stevens-Johnson syndrome and toxic epidermal necrolysis
Authors: Panpruk Rawiphan , Puangsricharern Vilavun , Klaewsongkram Jettanong , Rerknimitr Pawinee , Kittipibul Thanachaporn , Chongpison Yuda , Buranapraditkun Supranee 
Published: October 2021

AbstractStevens-Johnson syndrome (SJS) and toxic epidermal necrolysis (TEN) are severe cutaneous adverse drug reactions with high mortality rates. Its sequelae, such as blindness, persist even after recovery. Patients with SJS/TEN should be accurately diagnosed and receive appropriate treatment as soon as possible. Therefore, identifying the factors for severity prediction is necessary. We aimed to clarify the clinical parameters and biological markers that can predict acute severe ocular complications (SOCs) in SJS/TEN. This retrospective cross-sectional study enrolled 47 patients with SJS/TEN who were divided into two groups according to ocular severity at acute onset: non-severe ocular complications group (n = 27) and severe ocular complications group (n = 20). Multivariate logistic regression analysis revealed that disease severity (body surface area detachment ≥ 10%) was a predictive factor for acute SOCs, and older age (≥ 60 years) was marginally significantly predictive of SOCs. Serum biomarker levels of S100A8/A9 and granulysin were marginally significant and tended to increase in the SOC group. Therefore, during the early acute stage, focusing on disease severity, patient age, and serum inflammatory biomarkers (S100A8/A9 and granulysin) might help predict SOC progression in patients with SJS/TEN who need prompt and aggressive ocular management to prevent severe ocular sequelae.
Imaging characteristics of young age breast cancer (YABC) focusing on pathologic correlation and disease recurrence
Authors: Lee Jeongmin , Kim Sung Hun , Kang Bong Joo , Lee Ahwon , Park Woo-Chan , Hwang Jinwoo 
Published: October 2021

AbstractThe purpose of this study is to investigate imaging characteristics of young age breast cancer (YABC) focusing on correlation with pathologic factors and association with disease recurrence. From January 2017 to December 2019, patients under 40 years old who were diagnosed as breast cancer were enrolled in this study. Morphologic analysis of tumor and multiple quantitative parameters were obtained from pre-treatment dynamic contrast enhanced breast magnetic resonance imaging (DCE-MRI). Tumor-stroma ratio (TSR), microvessel density (MVD) and endothelial Notch 1 (EC Notch 1) were investigated for correlation with imaging parameters. In addition, recurrence associated factors were assessed using both clinico-pathologic factors and imaging parameters. A total of 53 patients were enrolled. Several imaging parameters derived from apparent diffusion coefficient (ADC) histogram showed negative correlation with TSR; and there was negative correlation between MVD and Ve in perfusion analysis. There were nine cases of recurrences with median interval of 16 months. Triple negative subtype and low CD34 MVD positivity in Notch 1 hotspots showed significant association with tumor recurrence. Texture parameters reflecting tumor sphericity and homogeneity were also associated with disease recurrence. In conclusion, several quantitative MRI parameters can be used as imaging biomarkers for tumor microenvironment and can predict disease recurrence in YABC.
The improvement of mechanical properties of conventional concretes using carbon nanoparticles using molecular dynamics simulation
Authors: Zhao Liang , Nasution Mahyuddin K. M. , Hekmatifar Maboud , Sabetvand Roozbeh , Kamenskov Pavel , Toghraie Davood , Alizadeh As’ad , Iran Teimour Ghahari 
Published: October 2021

AbstractIn the present study, the improvement of mechanical properties of conventional concretes using carbon nanoparticles is investigated. More precisely, carbon nanotubes are added to a pristine concrete matrix, and the mechanical properties of the resulting structure are investigated using the molecular dynamics (MD) method. Some parameters such as the mechanical behavior of the concrete matrix structure, the validation of the computational method, and the mechanical behavior of the concrete matrix structure with carbon nanotube are also examined. Also, physical quantities such as a stress–strain diagram, Poisson's coefficient, Young's modulus, and final strength are calculated and reported for atomic samples under external tension. From a numerical point of view, the quantities of Young's modulus and final strength are converged to 35 GPa and 35.38 MPa after the completion of computer simulations. This indicates the appropriate effect of carbon nanotubes in improving the mechanical behavior of concrete and the efficiency of molecular dynamics method in expressing the mechanical behavior of atomic structures such as concrete, carbon nanotubes and composite structures derived from raw materials is expressed that can be considered in industrial and construction cases.
Analysis of long-term strategies of riparian countries in transboundary river basins
Authors: Mirzaei-Nodoushan Fahimeh , Bozorg-Haddad Omid , Singh Vijay P. , Loáiciga Hugo A. 
Published: October 2021

AbstractTransboundary river basins give rise to complex water-sharing decision making that can be analyzed as a game in the sense of dynamic game theory, as done in this work. The sharing of transboundary water resources depends on the long-term shifting interactions between upstream and downstream countries, which has received limited research attention in the past. The water-sharing strategy of a riparian country depends on the strategies of other countries over time. This paper presents an evolutionary game method to analyze the long-term water-sharing strategies of countries encompassing transboundary river basins over time. The method analyzes the evolutionary strategies of riparian countries and investigates evolutionary stable strategies (ESSs) considering the payoff matrix. The evolutionary game method is applied to a river basin shared by three countries assuming two types of benefits and one type of cost to countries as decision variables of a game that reflects water use, economic and political gains, and socio-economic losses of countries. Numerical examples illustrate the strategies resulting from the evolutionary game processes and the role of several parameters on the interaction between riparian countries. The countries’ strategies are analyzed for several levels of benefits and costs, and the convergence of the strategies to a stable point is assessed. Results demonstrate the role that the upstream country’s potential benefits and the cost of conflict (i.e., non-cooperation) to other countries has on reaching a stable point in the game. This work’s results show the potential benefit to the upstream country under cooperative strategy must exceed its benefits from water use under non-cooperative strategy to gain the full stable cooperation of downstream countries. This work provides a method to resolve water-sharing strategies by countries sharing transboundary river basins and to evaluate the implications of cooperation or non-cooperation.
In silico and multi-spectroscopic analyses on the interaction of 5-amino-8-hydroxyquinoline and bovine serum albumin as a potential anticancer agent
Authors: Ruankham Waralee , Phopin Kamonrat , Pingaew Ratchanok , Prachayasittikul Supaluk , Prachayasittikul Virapong , Tantimongcolwat Tanawut 
Published: October 2021

Abstract5-Amino-8-hydroxyquinoline (5A8HQ), an amino derivative of 8-hydroxyquinoline, has become a potential anticancer candidate because of its promising proteasome inhibitory activity to overcome and yet synergize bortezomib for fighting cancers. Therefore, in this study, its physicochemical properties and interaction activities with serum protein have extensively been elucidated by both in vitro and in silico approaches to fulfill the pharmacokinetic and pharmacodynamic gaps. 5A8HQ exhibited the drug-likeness properties, where oral administration seems to be a route of choice owing to its high-water solubility and intestinal absorptivity. Multi-spectroscopic investigations suggested that 5A8HQ tended to associate with bovine serum albumin (BSA), a representative of serum protein, via the ground-state complexation. It apparently bound in a protein cleft between subdomains IIA and IIIA of BSA as suggested by the molecular docking and molecular dynamics simulations. The binding was mainly driven by hydrogen bonding and electrostatic interactions with a moderate binding constant at 104 M−1, conforming with the predicted free fraction in serum at 0.484. Therefore, 5A8HQ seems to display a good bioavailability in plasma to reach target sites and exerts its potent pharmacological activity. Likewise, serum albumin is a good candidate to be reservoir and transporter of 5A8HQ in the circulatory system.
Dynamic alterations in monocyte numbers, subset frequencies and activation markers in acute and convalescent COVID-19 individuals
Authors: Rajamanickam Anuradha , Kumar Nathella Pavan , Pandiarajan Arul Nancy , Selvaraj Nandhini , Munisankar Saravanan , Renji Rachel Mariam , Venkatramani Vijayalakshmi , Murhekar Manoj , Thangaraj Jeromie W. V. , Kumar Muthusamy Santhosh , Kumar C. P. Girish , Bhatnagar Tarun , Ponnaiah Manickam , Sabarinathan R. , Saravanakumar V. , Babu Subash 
Published: October 2021

AbstractMonocytes are thought to play an important role in host defence and pathogenesis of COVID-19. However, a comprehensive examination of monocyte numbers and function has not been performed longitudinally in acute and convalescent COVID-19. We examined the absolute counts of monocytes, the frequency of monocyte subsets, the plasma levels of monocyte activation markers using flowcytometry and ELISA in seven groups of COVID-19 individuals, classified based on days since RT-PCR confirmation of SARS-CoV2 infection. Our data shows that the absolute counts of total monocytes and the frequencies of intermediate and non-classical monocytes increases from Days 15–30 to Days 61–90 and plateau thereafter. In contrast, the frequency of classical monocytes decreases from Days 15–30 till Days 121–150. The plasma levels of sCD14, CRP, sCD163 and sTissue Factor (sTF)—all decrease from Days 15–30 till Days 151–180. COVID-19 patients with severe disease exhibit higher levels of monocyte counts and higher frequencies of classical monocytes and lower frequencies of intermediate and non-classical monocytes and elevated plasma levels of sCD14, CRP, sCD163 and sTF in comparison with mild disease. Thus, our study provides evidence of dynamic alterations in monocyte counts, subset frequencies and activation status in acute and convalescent COVID-19 individuals.