bluuebunny/crossref_metadata_2025 huggingface dataset:
Ocean variability beneath Thwaites Eastern Ice Shelf driven by the Pine Island Bay Gyre strength
Authors: Dotto Tiago S. , Heywood Karen J. , Hall Rob A. , Scambos Ted A. , Zheng Yixi , Nakayama Yoshihiro , Hyogo Shuntaro , Snow Tasha , Wåhlin Anna K. , Wild Christian , Truffer Martin , Muto Atsuhiro , Alley Karen E. , Boehme Lars , Bortolotto Guilherme A. , Tyler Scott W. , Pettit Erin
Published: December 2022

West Antarctic ice-shelf thinning is primarily caused by ocean-driven basal melting. Here we assess ocean variability below Thwaites Eastern Ice Shelf (TEIS) and reveal the importance of local ocean circulation and sea-ice. Measurements obtained from two sub-ice-shelf moorings, spanning January 2020 to March 2021, show warming of the ice-shelf cavity and an increase in meltwater fraction of the upper sub-ice layer. Combined with ocean modelling results, our observations suggest that meltwater from Pine Island Ice Shelf feeds into the TEIS cavity, adding to horizontal heat transport there. We propose that a weakening of the Pine Island Bay gyre caused by prolonged sea-ice cover from April 2020 to March 2021 allowed meltwater-enriched waters to enter the TEIS cavity, which increased the temperature of the upper layer. Our study highlights the sensitivity of ocean circulation beneath ice shelves to local atmosphere-sea-ice-ocean forcing in neighbouring open oceans.
Micro and nano-scale compartments guide the structural transition of silk protein monomers into silk fibers
Authors: Eliaz D. , Paul S. , Benyamin D. , Cernescu A. , Cohen S. R. , Rosenhek-Goldian I. , Brookstein O. , Miali M. E. , Solomonov A. , Greenblatt M. , Levy Y. , Raviv U. , Barth A. , Shimanovich U.
Published: December 2022

Silk is a unique, remarkably strong biomaterial made of simple protein building blocks. To date, no synthetic method has come close to reproducing the properties of natural silk, due to the complexity and insufficient understanding of the mechanism of the silk fiber formation. Here, we use a combination of bulk analytical techniques and nanoscale analytical methods, including nano-infrared spectroscopy coupled with atomic force microscopy, to probe the structural characteristics directly, transitions, and evolution of the associated mechanical properties of silk protein species corresponding to the supramolecular phase states inside the silkworm’s silk gland. We found that the key step in silk-fiber production is the formation of nanoscale compartments that guide the structural transition of proteins from their native fold into crystalline β-sheets. Remarkably, this process is reversible. Such reversibility enables the remodeling of the final mechanical characteristics of silk materials. These results open a new route for tailoring silk processing for a wide range of new material formats by controlling the structural transitions and self-assembly of the silk protein’s supramolecular phases.
Proteome-wide 3D structure prediction provides insights into the ancestral metabolism of ancient archaea and bacteria
Authors: Zhao Weishu , Zhong Bozitao , Zheng Lirong , Tan Pan , Wang Yinzhao , Leng Hao , de Souza Nicolas , Liu Zhuo , Hong Liang , Xiao Xiang
Published: December 2022

Ancestral metabolism has remained controversial due to a lack of evidence beyond sequence-based reconstructions. Although prebiotic chemists have provided hints that metabolism might originate from non-enzymatic protometabolic pathways, gaps between ancestral reconstruction and prebiotic processes mean there is much that is still unknown. Here, we apply proteome-wide 3D structure predictions and comparisons to investigate ancestorial metabolism of ancient bacteria and archaea, to provide information beyond sequence as a bridge to the prebiotic processes. We compare representative bacterial and archaeal strains, which reveal surprisingly similar physiological and metabolic characteristics via microbiological and biophysical experiments. Pairwise comparison of protein structures identify the conserved metabolic modules in bacteria and archaea, despite interference from overly variable sequences. The conserved modules (for example, middle of glycolysis, partial TCA, proton/sulfur respiration, building block biosynthesis) constitute the basic functions that possibly existed in the archaeal-bacterial common ancestor, which are remarkably consistent with the experimentally confirmed protometabolic pathways. These structure-based findings provide a new perspective to reconstructing the ancestral metabolism and understanding its origin, which suggests high-throughput protein 3D structure prediction is a promising approach, deserving broader application in future ancestral exploration.
Structure of a RecT/Redβ family recombinase in complex with a duplex intermediate of DNA annealing
Authors: Caldwell Brian J. , Norris Andrew S. , Karbowski Caroline F. , Wiegand Alyssa M. , Wysocki Vicki H. , Bell Charles E.
Published: December 2022

Some bacteriophage encode a recombinase that catalyzes single-stranded DNA annealing (SSA). These proteins are apparently related to RAD52, the primary human SSA protein. The best studied protein, Redβ from bacteriophage λ, binds weakly to ssDNA, not at all to dsDNA, but tightly to a duplex intermediate of annealing formed when two complementary DNA strands are added to the protein sequentially. We used single particle cryo-electron microscopy (cryo-EM) to determine a 3.4 Å structure of a Redβ homolog from a prophage of Listeria innocua in complex with two complementary 83mer oligonucleotides. The structure reveals a helical protein filament bound to a DNA duplex that is highly extended and unwound. Native mass spectrometry confirms that the complex seen by cryo-EM is the predominant species in solution. The protein shares a common core fold with RAD52 and a similar mode of ssDNA-binding. These data provide insights into the mechanism of protein-catalyzed SSA.
Antibodies targeting the neuraminidase active site inhibit influenza H3N2 viruses with an S245N glycosylation site
Authors: Stadlbauer Daniel , McMahon Meagan , Turner Hannah L. , Zhu Xueyong , Wan Hongquan , Carreño Juan Manuel , O’Dell George , Strohmeier Shirin , Khalil Zain , Luksza Marta , van Bakel Harm , Simon Viviana , Ellebedy Ali H. , Wilson Ian A. , Ward Andrew B. , Krammer Florian
Published: December 2022

Contemporary influenza A H3N2 viruses circulating since 2016 have acquired a glycosylation site in the neuraminidase in close proximity to the enzymatic active site. Here, we investigate if this S245N glycosylation site, as a result of antigenic evolution, can impact binding and function of human monoclonal antibodies that target the conserved active site. While we find that a reduction in the inhibitory ability of neuraminidase active site binders is measurable, this class of broadly reactive monoclonal antibodies maintains protective efficacy in vivo.
Protein complex prediction using Rosetta, AlphaFold, and mass spectrometry covalent labeling
Authors: Drake Zachary C. , Seffernick Justin T. , Lindert Steffen
Published: December 2022

Covalent labeling (CL) in combination with mass spectrometry can be used as an analytical tool to study and determine structural properties of protein-protein complexes. However, data from these experiments is sparse and does not unambiguously elucidate protein structure. Thus, computational algorithms are needed to deduce structure from the CL data. In this work, we present a hybrid method that combines models of protein complex subunits generated with AlphaFold with differential CL data via a CL-guided protein-protein docking in Rosetta. In a benchmark set, the RMSD (root-mean-square deviation) of the best-scoring models was below 3.6 Å for 5/5 complexes with inclusion of CL data, whereas the same quality was only achieved for 1/5 complexes without CL data. This study suggests that our integrated approach can successfully use data obtained from CL experiments to distinguish between nativelike and non-nativelike models.
Photoprogrammable circularly polarized phosphorescence switching of chiral helical polyacetylene thin films
Authors: Huang Zizhao , He Zhenyi , Ding Bingbing , Tian He , Ma Xiang
Published: December 2022

The developments of pure organic room-temperature phosphorescence (RTP) materials with circularly polarized luminescence (CPL) have significantly facilitated the future integration and systemization of luminescent material in fundamental science and technological applications. Here, a type of photoinduced circularly polarized RTP materials are constructed by homogeneously dispersing phosphorescent chiral helical substituted polyacetylenes into a processable poly(methyl methacrylate) (PMMA) matrix. These substituted polyacetylenes play vital roles in the propagation of CPL and present prominently optical characteristics with high absorption and luminescent dissymmetric factors up to 0.029 (gabs) and 0.019 (glum). The oxygen consumption properties of the films under UV light irradiation endow materials with dynamic chiro-optical functionality, which can leverage of light to precisely control and manipulate the circularly polarized RTP properties with the remarkable advantages of being contactless, wireless and fatigue-resistant. Significantly, the distinct materials with dynamic properties can be used as anti-counterfeiting materials involving photoprogrammability.
Characterization and in vitro anticancer potential of exopolysaccharide extracted from a freshwater diatom Nitzschia palea (Kütz.) W.Sm. 1856
Authors: Sanniyasi Elumalai , Patrick Antony Prakash Rejoy , Rajagopalan Kreedika , Gopal Rajesh Kanna , Damodharan Rajesh
Published: December 2022

Diatoms are photoautotrophic microalgae classified under class Bacillariophyceae, engulfed by hard silicate frustules, which give mechanical support and protection from bacterial infections. They exude polysaccharides extracellularly that help them with their gliding motion (locomotion). However, the bioactivity of such compounds was least explored from freshwater diatoms. In the present study, a single species of pennate diatom identified as Nitzschia palea was isolated and molecularly characterized by 18S rRNA smaller subunit gene (partial) sequencing and submitted to GenBank NCBI and accession number retrieved as ON360983. Based on logarithmic growth curve analysis, the exponential phase was obtained from 3rd to 4th day of diatom culture. The exopolysaccharide was extracted by the hot-water extraction method, and characterized by FT-IR. The total yield of exopolysaccharide from Nitzschia palea was estimated as 1.56 mg in 100 mL of culture after 7 days of incubation. The estimated carbohydrate content was 51.35 µg/100 µL. The monosaccharide constituents were determined by acid hydrolysis of exopolysaccharide, silylation (derivatization), followed by GC–MS analysis and tabulated. The extracted exopolysaccharide was evaluated for its anti-cancer potential against the Human Adenocarcinoma lung cancer cell line (A549) and the estimated IC50 value was 62.64 µg/mL. Acridine orange staining assay and DNA fragmentation assay also confirmed the apoptotic activity of exopolysaccharide derived from the diatom Nitzschia palea.
Transcriptomic and proteomic pathways of diabetic and non-diabetic mitochondrial transplantation
Authors: Doulamis Ilias P. , Nomoto Rio S. , Tzani Aspasia , Hong Xuechong , Duignan Thomas , Celik Aybuke , del Nido Pedro J. , McCully James D.
Published: December 2022

Reduced mitochondrial function increases myocardial susceptibility to ischemia–reperfusion injury (IRI) in diabetic hearts. Mitochondrial transplantation (MT) ameliorates IRI, however, the cardioprotective effects of MT may be limited using diabetic mitochondria. Zucker Diabetic Fatty (ZDF) rats were subjected to temporary myocardial RI and then received either vehicle alone or vehicle containing mitochondria isolated from either diabetic ZDF or non-diabetic Zucker lean (ZL) rats. The ZDF rats were allowed to recover for 2 h or 28 days. MT using either ZDF- or ZL-mitochondria provided sustained reduction in infarct size and was associated with overlapping upregulation of pathways associated with muscle contraction, development, organization, and anti-apoptosis. MT using either ZDF- or ZL-mitochondria also significantly preserved myocardial function, however, ZL- mitochondria provided a more robust long-term preservation of myocardial function through the mitochondria dependent upregulation of pathways for cardiac and muscle metabolism and development. MT using either diabetic or non-diabetic mitochondria decreased infarct size and preserved functional recovery, however, the cardioprotection afforded by MT was attenuated in hearts receiving diabetic compared to non-diabetic MT.
Multifrequency-based sharpening of focal volume
Authors: Riis Thomas , Kubanek Jan
Published: December 2022

Systems that emit electromagnetic or sonic waves for diagnostic or interventional applications often have constraints on the size of their aperture, and thus produce an elongated focus in the axial dimension. This extended depth of focus limits imaging resolution and spatial specificity of the delivered energy. Here, we have developed a method that substantially minimizes the depth of focus. The method superimposes beams of distinct frequencies in space and time to create constructive interference at target and amplify deconstructive interference everywhere else, thus sharpening the focus. The method does not require labeling of targets or other manipulations of the medium. Using simulations, we found that the method tightens the depth of focus even for systems with a narrow bandwidth. Moreover, we implemented the method in ultrasonic hardware and found that a 46.1% frequency fractional bandwidth provides an average 7.4-fold reduction in the focal volume of the resulting beams. This method can be readily applied to sharpen the focus of interventional systems and is expected to also improve the axial resolution of existing imaging systems.
Co-application of ACC deaminase-producing rhizobial bacteria and melatonin improves salt tolerance in common bean (Phaseolus vulgaris L.) through ion homeostasis
Authors: Alinia Mozhgan , Kazemeini Seyed A. , Dadkhodaie Ali , Sepehri Mozhgan , Mahjenabadi Vahid A. Jahandideh , Amjad Syeda F. , Poczai Peter , El-Ghareeb Doaa , Bassouny Mohamed A. , Abdelhafez Ahmed A.
Published: December 2022

A comprehensive body of scientific evidence indicates that rhizobial bacteria and melatonin enhance salt tolerance of crop plants. The overall goal of this research was to evaluate the ability of Rhizobium leguminoserum bv phaseoli to suppress salinity stress impacts in common bean treated with melatonin. Treatments included bacterial inoculations (inoculated (RI) and non-inoculated (NI)), different salinity levels (non-saline (NS), 4 (S1) and 8 (S2) dS m−1 of NaCl) and priming (dry (PD), melatonin (PM100) and hydro (PH) priming) with six replications in growing media containing sterile sand and perlite (1:1). The results showed that the bacterial strain had the ability to produce indole acetic acid (IAA), ACC deaminase and siderophore. Plants exposed to salinity stress indicated a significant decline in growth, yield, yield components, nitrogen fixation and selective transport (ST), while showed a significant increase in sodium uptake. However, the combination of PM100 and RI treatments by improving growth, photosynthesis rate and nitrogen fixation positively influenced plant performance in saline conditions. The combined treatment declined the negative impacts of salinity by improving the potassium translocation, potassium to sodium ratio in the shoot and root and ST. In conclusion, the combination of melatonin and ACC deaminase producing rhizobium mitigated the negative effects of salinity. This result is attributed to the increased ST and decreased sodium uptake, which significantly reduced the accumulation of sodium ions in shoot.
Broadband photodetection using one-step CVD-fabricated MoS2/MoO2 microflower/microfiber heterostructures
Authors: Mouloua D. , Rajput N. S. , Saitzek S. , Kaja K. , Hoummada K. , El Marssi M. , El Khakani M. A. , Jouiad M.
Published: December 2022

Molybdenum disulfide (MoS2) has been combined so far with other photodetecting semiconductors as an enhancing agent owing to its optical and electronic properties. Existing approaches demonstrated MoS2-incorporated photodetector devices using complex and costly fabrication processes. Here, we report on simplified one-step on the chemical vapor deposition (CVD) based synthesis of a unique microfiber/microflower MoS2-based heterostructure formed by capturing MoO2 intermediate material during the CVD process. This particular morphology engenders a material chemical and electronic interplay exalting the heterostructure absorption up to ~ 98% over a large spectral range between 200 and 1500 nm. An arsenal of characterization methods were used to elucidate the properties of these novel heterostructures including Raman spectroscopy, X-ray diffraction, X-ray photoelectron spectrometry, high-resolution transmission and scanning electron microscopies, and Kelvin probe force microscopy. Our findings revealed that the MoS2 and the MoO2 crystallize in the hexagonal and monoclinic lattices, respectively. The integration of the MoS2/MoO2 heterostructures into functional photodetectors revealed a strong photoresponse under both standard sun illumination AM1.5G and blue light excitation at 450 nm. Responsivity and detectivity values as high as 0.75 mA W−1 and 1.45 × 107 Jones, respectively, were obtained with the lowest light intensity of 20 mW cm−2 at only 1 V bias. These results demonstrate the high performances achieved by the unique MoS2/MoO2 heterostructure for broadband light harvesting and pave the way for their adoption in photodetection applications.
Examining rheological behavior of CeO2-GO-SA/10W40 ternary hybrid nanofluid based on experiments and COMBI/ANN/RSM modeling
Authors: Sepehrnia Mojtaba , Maleki Hamid , Karimi Mahsa , Nabati Erfan
Published: December 2022

In this study, the rheological behavior and dynamic viscosity of 10W40 engine oil in the presence of ternary-hybrid nanomaterials of cerium oxide (CeO2), graphene oxide (GO), and silica aerogel (SA) were investigated experimentally. Nanofluid viscosity was measured over a volume fraction range of VF = 0.25–1.5%, a temperature range of T = 5–55 °C, and a shear rate range of SR = 40–1000 rpm. The preparation of ternary-hybrid nanofluids involved a two-step process, and the nanomaterials were dispersed in SAE 10W40 using a magnetic stirrer and ultrasonic device. In addition, CeO2, GO, and SA nanoadditives underwent X-ray diffraction-based structural analysis. The non-Newtonian (pseudoplastic) behavior of ternary-hybrid nanofluid at all temperatures and volume fractions is revealed by analyzing shear stress, dynamic viscosity, and power-law model coefficients. However, the nanofluids tend to Newtonian behavior at low temperatures. For instance, dynamic viscosity declines with increasing shear rate between 4.51% (at 5 °C) and 41.59% (at 55 °C) for the 1.5 vol% nanofluid. The experimental results demonstrated that the viscosity of ternary-hybrid nanofluid declines with increasing temperature and decreasing volume fraction. For instance, assuming a constant SR of 100 rpm and a temperature increase from 5 to 55 °C, the dynamic viscosity increases by at least 95.05% (base fluid) and no more than 95.82% (1.5 vol% nanofluid). Furthermore, by increasing the volume fraction from 0 to 1.5%, the dynamic viscosity increases by a minimum of 14.74% (at 5 °C) and a maximum of 35.94% (at 55 °C). Moreover, different methods (COMBI algorithm, GMDH-type ANN, and RSM) were used to develop models for the nanofluid's dynamic viscosity, and their accuracy and complexity were compared. The COMBI algorithm with R2 = 0.9995 had the highest accuracy among the developed models. Additionally, RSM and COMBI were able to generate predictive models with the least complexity.
Convolutional neural network for automated segmentation of the liver and its vessels on non-contrast T1 vibe Dixon acquisitions
Authors: Zbinden Lukas , Catucci Damiano , Suter Yannick , Berzigotti Annalisa , Ebner Lukas , Christe Andreas , Obmann Verena Carola , Sznitman Raphael , Huber Adrian Thomas
Published: December 2022

We evaluated the effectiveness of automated segmentation of the liver and its vessels with a convolutional neural network on non-contrast T1 vibe Dixon acquisitions. A dataset of non-contrast T1 vibe Dixon liver magnetic resonance images was labelled slice-by-slice for the outer liver border, portal, and hepatic veins by an expert. A 3D U-Net convolutional neural network was trained with different combinations of Dixon in-phase, opposed-phase, water, and fat reconstructions. The neural network trained with the single-modal in-phase reconstructions achieved a high performance for liver parenchyma (Dice 0.936 ± 0.02), portal veins (0.634 ± 0.09), and hepatic veins (0.532 ± 0.12) segmentation. No benefit of using multi-modal input was observed (p = 1.0 for all experiments), combining in-phase, opposed-phase, fat, and water reconstruction. Accuracy for differentiation between portal and hepatic veins was 99% for portal veins and 97% for hepatic veins in the central region and slightly lower in the peripheral region (91% for portal veins, 80% for hepatic veins). In conclusion, deep learning-based automated segmentation of the liver and its vessels on non-contrast T1 vibe Dixon was highly effective. The single-modal in-phase input achieved the best performance in segmentation and differentiation between portal and hepatic veins.
Effect of sound insulation on noise reduction in an agricultural tractor cab
Authors: Han Hyun-Woo , Im Won-Hong , Choi Hyo-Joon , Cho Seung-Je , Lee Sang-Dae , Park Young-Jun
Published: December 2022

Tractor cab interior noise is a risk factor that degrades operators’ work performance and threatens their health; therefore, the noise must be reduced to ensure farmworkers’ safety and efficiency. Cab interior noise can be classified as structure-borne noise and air-borne noise. Structure-borne noise has been extensively studied. However, although air-borne noise greatly contributes to cab interior noise, detailed frequency-domain analyses have not been performed. In this study, the components of cab interior noise were identified in the frequency domain through an order analysis, which helped improve the sound insulation of the cab and reduce the effects of air-borne noise. A test was performed while driving a tractor on a chassis dynamometer in a semi-anechoic chamber for reproducible measurement and evaluation. The A-weighted sound pressure was transformed by a fast Fourier transform algorithm, and its order was tracked by the engine speed signal. In addition, a direct path was identified by acoustic images using a sound camera. The contributions of major noise sources were identified through an order analysis. We proved that air-borne noise significantly contributes to the interior noise of tractor cabs and that improvement of the cab sound insulation is an effective noise-reduction technique.
Part one: abuse liability of Vuse Solo (G2) electronic nicotine delivery system relative to combustible cigarettes and nicotine gum
Authors: Campbell Chris , Jin Tao , Round Elaine K. , Schmidt Eckhardt , Nelson Paul , Baxter Sarah
Published: December 2022

Abuse liability (AL) of electronic nicotine delivery systems (ENDS) is relevant as the category increases in popularity as a potentially less-harmful alternative to cigarette smoking. AL assessments are important to the FDA in determining if a new product is appropriate for the protection of public health. This paper reports the results for Vuse Solo (G2 cartridge design) compared to high and low AL-comparators evaluated in an open-label, randomized crossover confinement AL study. The confinement design was adapted from previous ambulatory studies of Vuse Solo (G1 cartridge design) and included product familiarization sessions before each four-hour test session in which subjective measures, nicotine pharmacokinetics (PK), and physiological endpoints were assessed following a single 10-min ad libitum product use session. Product liking, intent to use again, suppression of urge to smoke, and nicotine PK were lower after use of Vuse Solo compared to cigarettes and higher after use of Vuse Solo compared to nicotine gum. No significant differences in blood pressure or heart rate were observed between the products pre- to post-product use. These data reinforce previous research and provide the scientific evidence to support regulatory decisions demonstrating that Vuse Solo has an AL profile lower than that of combustible cigarettes but higher than that of nicotine gum and, therefore, may be a suitable replacement for cigarette smoking for some adult smokers.
Classification at the accuracy limit: facing the problem of data ambiguity
Authors: Metzner Claus , Schilling Achim , Traxdorf Maximilian , Tziridis Konstantin , Maier Andreas , Schulze Holger , Krauss Patrick
Published: December 2022

Data classification, the process of analyzing data and organizing it into categories or clusters, is a fundamental computing task of natural and artificial information processing systems. Both supervised classification and unsupervised clustering work best when the input vectors are distributed over the data space in a highly non-uniform way. These tasks become however challenging in weakly structured data sets, where a significant fraction of data points is located in between the regions of high point density. We derive the theoretical limit for classification accuracy that arises from this overlap of data categories. By using a surrogate data generation model with adjustable statistical properties, we show that sufficiently powerful classifiers based on completely different principles, such as perceptrons and Bayesian models, all perform at this universal accuracy limit under ideal training conditions. Remarkably, the accuracy limit is not affected by certain non-linear transformations of the data, even if these transformations are non-reversible and drastically reduce the information content of the input data. We further compare the data embeddings that emerge by supervised and unsupervised training, using the MNIST data set and human EEG recordings during sleep. We find for MNIST that categories are significantly separated not only after supervised training with back-propagation, but also after unsupervised dimensionality reduction. A qualitatively similar cluster enhancement by unsupervised compression is observed for the EEG sleep data, but with a very small overall degree of cluster separation. We conclude that the handwritten letters in MNIST can be considered as ’natural kinds’, whereas EEG sleep recordings are a relatively weakly structured data set, so that unsupervised clustering will not necessarily re-cover the human-defined sleep stages.
Probabilistic human health risk assessment of 1,3-butadiene and styrene exposure using Monte Carlo simulation technique in the carpet production industry
Authors: khoshakhlagh Amir Hossein , Gruszecka-Kosowska Agnieszka , Adeniji Abiodun Olagoke , Tran Lang
Published: December 2022

Chemicals containing Volatile Organic Compounds (VOCs) are commonly used in the machine carpet production. 1,3-butadiene and styrene are main components of the carpenter’s glue used in carpet factories. Exposition to these chemicals can lead to a number of adverse health effects. This is the first study of the human health risk assessment due to inhalational exposure to 1,3-butadiene (BD) and styrene (ST) performed among workers in the carpet factories in Kashan city, Iran. The importance of the study was related with the fact of high popularity of carpet production in the South Asia countries. Inhalation exposure to BD and ST were measured based on the National Institute for Occupational Safety and Health (NIOSH) 1024 and 1501 methods, respectively. The cancerogenic risk (CR) and non-cancerogenic risk described as Hazard Quotient (HQ) values were calculated based on the United States Environmental Protection Agency (USEPA) method. The sensitivity and uncertainty analysis were performed by the Monte Carlo simulation (MCS) technique. The average concentration measured of BD and ST during work shifts of employees were 0.039 mg m−3 (0.017 ppm) and 12.108 mg m−3 (2.84 ppm), respectively. The mean ± SD value of estimated cancerogenic risk in inhalation exposure to BD and ST were equal to 5.13 × 10–3 ± 3.85 × 10–4 and 1.44 × 10–3 ± 2.36 × 10–4, respectively exceeding the acceptable risk level of 10–6 defined by USEPA. The average non-carcinogenic risk (HQ) values of BD and ST were equal to 8.50 × 100 and 5.13 × 100, respectively exceeding the acceptable risk level of 1. As the results of our studies exceeded both cancerogenic and non-carcinogenic risk values it indicates that adverse health effects due to inhalational exposure to BD and ST for workers in the machine carpet industry are very likely. To avoid negative health effects protective measures for employees in the factories should be introduced immediately and furher detailed research are recommended.
A machine learning approach to analyse ozone concentration in metropolitan area of Lima, Peru
Authors: Carbo-Bustinza Natalí , Belmonte Marisol , Jimenez Vasti , Montalban Paula , Rivera Magiory , Martínez Fredi Gutiérrez , Mohamed Mohamed Mehdi Hadi , De La Cruz Alex Rubén Huamán , da Costa Kleyton , López-Gonzales Javier Linkolk
Published: December 2022

The main objective of this study is to model the concentration of ozone in the winter season on air quality through machine learning algorithms, detecting its impact on population health. The study area involves four monitoring stations: Ate, San Borja, Santa Anita and Campo de Marte, all located in Metropolitan Lima during the years 2017, 2018 and 2019. Exploratory, correlational and predictive approaches are presented. The exploratory results showed that ATE is the station with the highest prevalence of ozone pollution. Likewise, in an hourly scale analysis, the pollution peaks were reported at 00:00 and 14:00. Finally, the machine learning models that showed the best predictive capacity for adjusting the ozone concentration were the linear regression and support vector machine.
Effect of ceramic and resin cement type on color stability and translucency of ceramic laminate veneers for diastema closure: an in vitro study
Authors: Elkhishen Eman Adel , Al-Zordk Walid , Hassouna Mahy , Elsherbini Ahmed , Sakrana Amal Abdelsamad
Published: December 2022

To investigate the effect of resin cements on the color stability and translucency of ceramic laminate veneers used for diastema closure. Sixty resin abutments were prepared for ceramic laminate veneers and divided into six groups according to the ceramic type (lithium disilicate, zirconia-reinforced lithium silicate, and translucent zirconia) and the cement type (Variolink Esthetic LC and RelyX Veneer). Color coordinates and translucency were analyzed after cementation and after soaking in the coffee solution. Differences in color and translucency were estimated, and results were statistically assessed (α = 0.05). Ceramic materials showed a significant impact on color changes after soaking in coffee within Variolink Esthetic groups. Translucent zirconia showed the highest color change, followed by zirconia reinforced lithium silicate and lithium disilicate. Ceramic materials showed a significant impact among the RelyX Veneer groups. A significant interaction in color changes was found between ceramic types and cement types after cementation, and after soaking in coffee was found. All groups showed a clinically acceptable difference in translucency parameters after soaking in coffee. The resin cement affects the color and translucency of ceramic laminate veneers used for diastema closure, and ceramic laminate veneers bonded with Variolink Esthetic LC resin cement are more translucent, while ceramic laminate veneers bonded with RelyX Veneer resin are more resistant to coffee staining. The lithium disilicate laminate veneer is more resistant to coffee staining than zirconia reinforced lithium silicate and translucent zirconia laminate veneers used for diastema closure.
Topological phase transitions without symmetry indication in NaZnSb$$_{1-x}$$Bi$$_x$$
Authors: Jeong Jaemo , Kim Dongwook , Kim Youngkuk
Published: December 2022

We study topological phase transitions in tetragonal NaZnSb$$_{1-x}$$

1
-
x

Bi$$_x$$

x

, driven by the chemical composition x. Notably, we examine mirror Chern numbers that change without symmetry indicators. First-principles calculations are performed to show that NaZnSb$$_{1-x}$$

1
-
x

Bi$$_x$$

x

experiences consecutive topological phase transitions, diagnosed by the strong $${\mathbb {Z}}_2$$

Z
2

topological index $$\nu _{0}$$

ν
0

and two mirror Chern numbers $$\mu _{x}$$

μ
x

and $$\mu _{xy}$$

μ

xy

. As the chemical composition x increases, the topological invariants ($$\mu _{x}\mu _{xy}\nu _{0}$$

μ
x

μ

xy

ν
0

) change from (000), (020), (220), to (111) at x = 0.15, 0.20, and 0.53, respectively. A simplified low-energy effective model is developed to examine the mirror Chern number changes, highlighting the central role of spectator Dirac fermions in avoiding symmetry indicators. Our findings suggest that NaZnSb$$_{1-x}$$

1
-
x

Bi$$_{x}$$

x

can be an exciting testbed for exploring the interplay between the topology and symmetry.
Magnetic patterning of Co/Ni layered systems by plasma oxidation
Authors: Anastaziak Błażej , Andrzejewska Weronika , Schmidt Marek , Matczak Michał , Soldatov Ivan , Schäfer Rudolf , Lewandowski Mikołaj , Stobiecki Feliks , Janzen Christian , Ehresmann Arno , Kuświk Piotr
Published: December 2022

We studied the structural, chemical, and magnetic properties of Ti/Au/Co/Ni layered systems subjected to plasma oxidation. The process results in the formation of NiO at the expense of metallic Ni, as clearly evidenced by X-ray photoelectron spectroscopy, while not affecting the surface roughness and grain size of the Co/Ni bilayers. Since the decrease of the thickness of the Ni layer and the formation of NiO increase the perpendicular magnetic anisotropy, oxidation may be locally applied for magnetic patterning. Using this approach, we created 2D heterostructures characterized by different combinations of magnetic properties in areas modified by plasma oxidation and in the regions protected from oxidation. As plasma oxidation is an easy to use, low cost, and commonly utilized technique in industrial applications, it may constitute an improvement over other magnetic patterning methods.
Preparation, characterization and in-vivo efficacy study of glatiramer acetate (GA)-hydrogel-microparticles as novel drug delivery system for GA in RRMS
Authors: Hadidi Naghmeh , Pazuki Gholamreza
Published: December 2022

Relapsing Remitting Multiple Sclerosis is a chronic Central nervous system autoimmune disease. There is no absolute treatment for MS and the available remedies are called disease modifying therapies (DMTs). Glatiramer acetate (GA) is one of the FDA approved DMTs. Currently, injection-site problems and unfavorable daily injection are the most common milestones in administration of GA. So that, the design of improved drug delivery systems with sustained release profile seem necessary and helpful in order to minimize GA adverse effects and improve patients’ compliance. In this study, we have manufactured a novel chitosan-PLGA (poly (lactic-co-glycolic acid)) hydrogel-microparticles containing GA by double emulsion method. Hydrogel-microparticles’ properties including size, morphology and GA loading were investigated. In-vitro drug release was studied during 30 days. In vivo efficacy of GA-hydrogel-microparticles was evaluated in experimental autoimmune encephalomyelitis (EAE) as an established animal model for MS. Pathological studies were performed through H&E (Hematoxylin and Eosin) staining of brain, spine, liver, skin and kidney tissues. Luxol fast blue staining of brain tissue was also done. The obtained results were applied for safety and efficacy evaluations. GA loading and Entrapment efficiency (EE %) of 60% and 95% were achieved, respectively. In- vitro release studies confirms a sustained release profile for GA-hydrogel-microparticles. Mean clinical scores and mean body weights obtained from EAE animal model for GA-hydrogel-microparticles were compared to the outcomes achieved from conventional Iranian brand-generic injection solution of GA (Copamer®, 20 mg/ml). EAE outcomes and pathological studies confirm similar therapeutic efficacy with longer dosing intervals possibility, improved safety through decreased adverse effects and elimination of site injection reactions for GA-hydrogel-microparticles. Further studies on pharmacokinetic and pharmacodynamics in human volunteers are still required to thoroughly examine different aspects of this newly developed GA- hydrogel-microparticles.
Bifurcation phenomena in Taylor–Couette flow in a very short annulus with radial through-flow
Authors: Altmeyer Sebastian , Sankar M. , Do Younghae
Published: December 2022

In this study, the non-linear dynamics of Taylor–Couette flow in a very small-aspect-ratio wide-gap annulus in a counter-rotating regime under the influence of radial through-flow are investigated by solving its full three-dimensional Navier-Stokes equations. Depending on the intensity of the radial flow, either an axisymmetric (pure$$m=0$$m=0mode) pulsating flow structure or an axisymmetric axially propagating vortex will appear subcritical, i.e.belowthe centrifugal instability threshold of the circular Couette flow. We show that the propagating vortices can be stably existed in two separate parameter regions, which feature different underlying dynamics. Although in one regime, the flow appears only as a limit cycle solution upon which saddle-node-invariant-circle bifurcation occurs, but in the other regime, it shows more complex dynamics with richer Hopf bifurcation sequences. That is, by presence of incommensurate frequencies, it can be appeared as 1-, 2- and 3-torus solutions, which is known as the Ruelle–Takens–Newhouse route to chaos. Therefore, the observed bifurcation scenario is the Ruelle-Takens-Newhouse route to chaos and the period doubling bifurcation, which exhibit rich and complex dynamics.
Guanidino acid hydrolysis by the human enzyme annotated as agmatinase
Authors: Sinn Malte , Stanoppi Marco , Hauth Franziskus , Fleming Jennifer R. , Funck Dietmar , Mayans Olga , Hartig Jörg S.
Published: December 2022

Guanidino acids such as taurocyamine, guanidinobutyrate, guanidinopropionate, and guanidinoacetate have been detected in humans. However, except for guanidionacetate, which is a precursor of creatine, their metabolism and potential functions remain poorly understood. Agmatine has received considerable attention as a potential neurotransmitter and the human enzyme so far annotated as agmatinase (AGMAT) has been proposed as an important modulator of agmatine levels. However, conclusive evidence for the assigned enzymatic activity is lacking. Here we show that AGMAT hydrolyzed a range of linear guanidino acids but was virtually inactive with agmatine. Structural modelling and direct biochemical assays indicated that two naturally occurring variants differ in their substrate preferences. A negatively charged group in the substrate at the end opposing the guanidine moiety was essential for efficient catalysis, explaining why agmatine was not hydrolyzed. We suggest to rename AGMAT as guanidino acid hydrolase (GDAH). Additionally, we demonstrate that the GDAH substrates taurocyamine, guanidinobutyrate and guanidinopropionate were produced by human glycine amidinotransferase (GATM). The presented findings show for the first time an enzymatic activity for GDAH/AGMAT. Since agmatine has frequently been proposed as an endogenous neurotransmitter, the current findings clarify important aspects of the metabolism of agmatine and guanidino acid derivatives in humans.
A survey on clinical natural language processing in the United Kingdom from 2007 to 2022
Authors: Wu Honghan , Wang Minhong , Wu Jinge , Francis Farah , Chang Yun-Hsuan , Shavick Alex , Dong Hang , Poon Michael T. C. , Fitzpatrick Natalie , Levine Adam P. , Slater Luke T. , Handy Alex , Karwath Andreas , Gkoutos Georgios V. , Chelala Claude , Shah Anoop Dinesh , Stewart Robert , Collier Nigel , Alex Beatrice , Whiteley William , Sudlow Cathie , Roberts Angus , Dobson Richard J. B.
Published: December 2022

Much of the knowledge and information needed for enabling high-quality clinical research is stored in free-text format. Natural language processing (NLP) has been used to extract information from these sources at scale for several decades. This paper aims to present a comprehensive review of clinical NLP for the past 15 years in the UK to identify the community, depict its evolution, analyse methodologies and applications, and identify the main barriers. We collect a dataset of clinical NLP projects (n = 94; £ = 41.97 m) funded by UK funders or the European Union’s funding programmes. Additionally, we extract details on 9 funders, 137 organisations, 139 persons and 431 research papers. Networks are created from timestamped data interlinking all entities, and network analysis is subsequently applied to generate insights. 431 publications are identified as part of a literature review, of which 107 are eligible for final analysis. Results show, not surprisingly, clinical NLP in the UK has increased substantially in the last 15 years: the total budget in the period of 2019–2022 was 80 times that of 2007–2010. However, the effort is required to deepen areas such as disease (sub-)phenotyping and broaden application domains. There is also a need to improve links between academia and industry and enable deployments in real-world settings for the realisation of clinical NLP’s great potential in care delivery. The major barriers include research and development access to hospital data, lack of capable computational resources in the right places, the scarcity of labelled data and barriers to sharing of pretrained models.
Single cell multi-omic reference atlases of non-human primate immune tissues reveals CD102 as a biomarker for long-lived plasma cells
Authors: Staupe Ryan P. , Lodge Kenneth E. , Thambi Nithya , Toole David , Tamburino Alex M. , Chang Dan , Howell Bonnie J. , Hazuda Daria J. , Vora Kalpit A. , Sullivan Nicole L.
Published: December 2022

In response to infection or immunization, antibodies are produced that provide protection against re-exposure with the same pathogen. These antibodies can persist at high titers for decades and are maintained by bone marrow-resident long-lived plasma cells (LLPC). However, the durability of antibody responses to immunization varies amongst vaccines. It is unknown what factors contribute to the differential longevity of serum antibody responses and whether heterogeneity in LLPC contributes to this phenomenon. While LLPC differentiation has been studied extensively in mice, little is known about this population in humans or non-human primates (NHP). Here, we use multi-omic single-cell profiling to identify and characterize the LLPC compartment in NHP. We identify LLPC biomarkers including the marker CD102 and show that CD102 in combination with CD31 identifies LLPC in NHP bone marrow. Additionally, we find that CD102 is expressed by LLPC in mouse and humans. These results further our understanding of the LLPC compartment in NHP, identify biomarkers of LLPC, and provide tissue-specific single cell references for future studies.
Boiling Features and Performances of Nanofluids
Authors: Fabre E. , Mancin S. , Murshed S. M. S.
Published: December 2022

Boiling processes have continuously received attention due to their heat transfer efficiency and wide applicability. However, with technological developments, there is a need to enhance cooling performance to maintain proper functioning of high-power devices. In this regard, the boiling of nanofluids emerges as an promising alternative. Nanofluids are recognized to have good thermophysical properties and their application in boiling systems can be a great advantage for improvement in boiling performance, namely critical heat flux (CHF) and heat transfer coefficient (HTC). However, both HTC and CHF are affected by many parameters related to the properties and surface features of nanofluids. In this chapter, the effects of surface roughness, wettability, and surfactant addition on boiling performance, combined with nanofluids characteristics are presented and discussed. Effort has also been made to comprise the outcomes of the most relevant research developed in this area and coherently explain the major findings.
Supporting Spatial Thinking in Organic Chemistry Through Augmented Reality—An Explorative Interview Study
Authors: Keller Sebastian , Habig Sebastian
Published: December 2022

In this chapter, we present an interview study in which chemistry students complete tasks involving stereochemistry and pericyclic reactions. While one group is supported by an Augmented Reality (AR) learning tool, the other group works on the same tasks without this support. During follow-up interviews, we asked students to describe their reasoning for finding a solution. In this way, we are trying to find out whether the use of the AR tool leads to a higher degree of students incorporating spatial aspects into their explanations. The field of organic chemistry offers itself here as spatial skills, such as mental rotation, are central to developing a conceptual understanding. In previous research, the use of AR has supported learners in learning abstract topic specific concepts, in spatial thinking as well as in dealing with the huge variety of organic chemistry representations. In the study, learners who used our AR app tend to be able to involve spatial aspects in their reasoning more often when compared to learners without AR support.
Representational Competence Under the Magnifying Glass—The Interplay Between Student Reasoning Skills, Conceptual Understanding, and the Nature of Representations
Authors: Ward Lyniesha W. , Rotich Fridah , Hoang Julia , Popova Maia
Published: December 2022

Learning and communicating with representations is an essential component of chemistry instruction. The process of successfully using representations to think about, communicate, and create meaning for a phenomenon defines representational competence. Understanding how students develop and use representational competence skills requires a holistic account of the nature and interactions of complex factors. Schönborn and Anderson proposed an empirical model suggesting that learning with a representation is affected by the external features (mode), scientific knowledge of relevance (conceptual), cognitive skills a student must utilize to make sense of that representation (reasoning), and the interactions between these factors. Students' overall ability to develop representational competence skills depends on the nature of the contribution of each factor. In this chapter, we employ Schönborn and Anderson's model to characterize how organic chemistry students interpret, translate, generate, and usedash-wedge diagrams and Newman projections. This work demonstrates that the appropriateness of student reasoning can vary across tasks focusing on different representations, different representational competence skills, and whether the student attends to the external features or the conceptual information embedded in the representation.