bluuebunny/crossref_metadata_2025 huggingface dataset:
Impact of donor age and relationship on outcomes of peripheral blood haploidentical hematopoietic cell transplantation
Authors: Pruitt Aaron , Gao Feng , De Togni Elisa , Cochran Hunter , Godbole Sonia , Slade Michael , Abboud Ramzi
Published: April 2023

Here we describe a retrospective analysis of outcomes in 299 patients who underwent peripheral blood haplo-HCT with PTCy from July 2009 through May 2021 and their association with donor characteristics. Patients had mostly acute leukemias and high or very high DRI. Multivariate analyses were conducted examining OS, NRM, relapse, cytokine release syndrome, acute and chronic GVHD. Donor characteristics included age, sex, relationship, ABO status, CMV status, and HLA match grade. Our analysis revealed increasing donor age was associated with higher NRM (compared to age <30; age 30–44 HR, 1.65; P = 0.110, age >44 HR, 1.80; P = 0.056) but lower relapse risk (compared to age <30; age 30–44 HR, 0.61; P = 0.034, age > 44 HR, 0.71; P = 0.132). There were no differences in CRS, aGVHD or cGVHD. We found no difference in outcomes based on the donor-recipient relationship. No differences were found based on HLA match grade or DRB1 match status. Increasing donor age was associated with lower relapse risk but higher NRM, resulting in no difference in OS based on donor age. Other donor factors including relationship (parent/sibling/child/ maternal), CMV status, donor sex, HLA match grade, and DRB1 status were not associated with outcomes.
Single-step retrosynthesis prediction by leveraging commonly preserved substructures
Authors: Fang Lei , Li Junren , Zhao Ming , Tan Li , Lou Jian-Guang
Published: April 2023

Retrosynthesis analysis is an important task in organic chemistry with numerous industrial applications. Previously, machine learning approaches employing natural language processing techniques achieved promising results in this task by first representing reactant molecules as strings and subsequently predicting reactant molecules using text generation or machine translation models. Chemists cannot readily derive useful insights from traditional approaches that rely largely on atom-level decoding in the string representations, because human experts tend to interpret reactions by analyzing substructures that comprise a molecule. It is well-established that some substructures are stable and remain unchanged in reactions. In this paper, we developed a substructure-level decoding model, where commonly preserved portions of product molecules were automatically extracted with a fully data-driven approach. Our model achieves improvement over previously reported models, and we demonstrate that its performance can be boosted further by enhancing the accuracy of these substructures. Analyzing substructures extracted from our machine learning model can provide human experts with additional insights to assist decision-making in retrosynthesis analysis.
Cargo-free particles divert neutrophil-platelet aggregates to reduce thromboinflammation
Authors: Banka Alison L. , Guevara M. Valentina , Brannon Emma R. , Nguyen Nhien Q. , Song Shuang , Cady Gillian , Pinsky David J. , Uhrich Kathryn E. , Adili Reheman , Holinstat Michael , Eniola-Adefeso Omolola
Published: April 2023

The combination of inflammation and thrombosis is a hallmark of many cardiovascular diseases. Under such conditions, platelets are recruited to an area of inflammation by forming platelet-leukocyte aggregates via interaction of PSGL-1 on leukocytes and P-selectin on activated platelets, which can bind to the endothelium. While particulate drug carriers have been utilized to passively redirect leukocytes from areas of inflammation, the downstream impact of these carriers on platelet accumulation in thromboinflammatory conditions has yet to be studied. Here, we explore the ability of polymeric particles to divert platelets away from inflamed blood vessels both in vitro and in vivo. We find that untargeted and targeted micron-sized polymeric particles can successfully reduce platelet adhesion to an inflamed endothelial monolayer in vitro in blood flow systems and in vivo in a lipopolysaccharide-induced, systemic inflammation murine model. Our data represent initial work in developing cargo-free, anti-platelet therapeutics specifically for conditions of thromboinflammation.
Robustness and innovation in synthetic genotype networks
Authors: Santos-Moreno Javier , Tasiudi Eve , Kusumawardhani Hadiastri , Stelling Joerg , Schaerli Yolanda
Published: April 2023

Genotype networks are sets of genotypes connected by small mutational changes that share the same phenotype. They facilitate evolutionary innovation by enabling the exploration of different neighborhoods in genotype space. Genotype networks, first suggested by theoretical models, have been empirically confirmed for proteins and RNAs. Comparative studies also support their existence for gene regulatory networks (GRNs), but direct experimental evidence is lacking. Here, we report the construction of three interconnected genotype networks of synthetic GRNs producing three distinct phenotypes inEscherichia coli. Our synthetic GRNs contain three nodes regulating each other by CRISPR interference and governing the expression of fluorescent reporters. The genotype networks, composed of over twenty different synthetic GRNs, provide robustness in face of mutations while enabling transitions to innovative phenotypes. Through realistic mathematical modeling, we quantify robustness and evolvability for the complete genotype-phenotype map and link these features mechanistically to GRN motifs. Our work thereby exemplifies how GRN evolution along genotype networks might be driving evolutionary innovation.
Boosting the interfacial superionic conduction of halide solid electrolytes for all-solid-state batteries
Authors: Kwak Hiram , Kim Jae-Seung , Han Daseul , Kim Jong Seok , Park Juhyoun , Kwon Gihan , Bak Seong-Min , Heo Unseon , Park Changhyun , Lee Hyun-Wook , Nam Kyung-Wan , Seo Dong-Hwa , Jung Yoon Seok
Published: April 2023

Designing highly conductive and (electro)chemical stable inorganic solid electrolytes using cost-effective materials is crucial for developing all-solid-state batteries. Here, we report halide nanocomposite solid electrolytes (HNSEs) ZrO2(-ACl)-A2ZrCl6 (A = Li or Na) that demonstrate improved ionic conductivities at 30 °C, from 0.40 to 1.3 mS cm−1 and from 0.011 to 0.11 mS cm−1 for Li+ and Na+, respectively, compared to A2ZrCl6, and improved compatibility with sulfide solid electrolytes. The mechanochemical method employing Li2O for the HNSEs synthesis enables the formation of nanostructured networks that promote interfacial superionic conduction. Via density functional theory calculations combined with synchrotron X-ray and 6Li nuclear magnetic resonance measurements and analyses, we demonstrate that interfacial oxygen-substituted compounds are responsible for the boosted interfacial conduction mechanism. Compared to state-of-the-art Li2ZrCl6, the fluorinated ZrO2−2Li2ZrCl5F HNSE shows improved high-voltage stability and interfacial compatibility with Li6PS5Cl and layered lithium transition metal oxide-based positive electrodes without detrimentally affecting Li+ conductivity. We also report the assembly and testing of a Li-In||LiNi0.88Co0.11Mn0.01O2 all-solid-state lab-scale cell operating at 30 °C and 70 MPa and capable of delivering a specific discharge of 115 mAh g−1 after almost 2000 cycles at 400 mA g−1.
Deep learning forecast of rainfall-induced shallow landslides
Authors: Mondini Alessandro C. , Guzzetti Fausto , Melillo Massimo
Published: April 2023

Rainfall triggered landslides occur in all mountain ranges posing threats to people and the environment. Given the projected climate changes, the risk posed by landslides is expected to increase, and the ability to anticipate their occurrence is key for effective risk reduction. Empirical thresholds and physically-based models are used to anticipate the short-term occurrence of rainfall-induced shallow landslides. But, evidence suggests that they may not be effective for operational forecasting over large areas. We propose a deep-learning based strategy to link rainfall to landslide occurrence. We inform and test the system with rainfall and landslide data available for the last 20 years in Italy. Our results indicate that it is possible to anticipate effectively the occurrence of rainfall-induced landslides over large areas, and that their location and timing are controlled primarily by the precipitation, opening to the possibility of operational landslide forecasting based on rainfall measurements and quantitative meteorological forecasts.
Human TRPV1 structure and inhibition by the analgesic SB-366791
Authors: Neuberger Arthur , Oda Mai , Nikolaev Yury A. , Nadezhdin Kirill D. , Gracheva Elena O. , Bagriantsev Sviatoslav N. , Sobolevsky Alexander I.
Published: April 2023

Pain therapy has remained conceptually stagnant since the opioid crisis, which highlighted the dangers of treating pain with opioids. An alternative addiction-free strategy to conventional painkiller-based treatment is targeting receptors at the origin of the pain pathway, such as transient receptor potential (TRP) ion channels. Thus, a founding member of the vanilloid subfamily of TRP channels, TRPV1, represents one of the most sought-after pain therapy targets. The need for selective TRPV1 inhibitors extends beyond pain treatment, to other diseases associated with this channel, including psychiatric disorders. Here we report the cryo-electron microscopy structures of human TRPV1 in the apo state and in complex with the TRPV1-specific nanomolar-affinity analgesic antagonist SB-366791. SB-366791 binds to the vanilloid site and acts as an allosteric hTRPV1 inhibitor. SB-366791 binding site is supported by mutagenesis combined with electrophysiological recordings and can be further explored to design new drugs targeting TRPV1 in disease conditions.
Network Analysis of Academic Medical Center Websites in the United States
Authors: He Shuhan , Chen David , Black Kameron Collin , Chong Paul , Marzouk Sammer , Yoon Byung-Jun , Davis Kendrick , Lee Jarone
Published: April 2023

Healthcare resources are published annually in repositories such as the AHA Annual Survey DatabaseTM. However, these data repositories are created via manual surveying techniques which are cumbersome in collection and not updated as frequently as website information of the respective hospital systems represented. Also, this resource is not widely available to patients in an easy-to-use format. Network analysis techniques have the potential to create topological maps which serve to aid in pathfinding for patients in their search for healthcare services. This study explores the topological structure of forty United States academic health center websites. Network analysis is utilized to analyze and visualize 48,686 webpages. Several elements of network structure are examined including basic network properties, and centrality measures distributions. The Louvain community detection algorithm is used to examine the extent to which these techniques allow identification of healthcare resources within networks. The results indicate that websites with related healthcare services tend to form observable clusters useful in mapping key resources within a hospital system.
OpCitance: Citation contexts identified from the PubMed Central open access articles
Authors: Hsiao Tzu-Kun , Torvik Vetle I.
Published: April 2023

OpCitance contains all the sentences from 2 million PubMed Central open-access (PMCOA) articles, with 137 million inline citations annotated (i.e., the “citation contexts”). Parsing out the references and citation contexts from the PMCOA XML files was non-trivial due to the diversity of referencing style. Only 0.5% citation contexts remain unidentified due to technical or human issues, e.g., references unmentioned by the authors in the text or improper XML nesting, which is more common among older articles (pre-2000). PubMed IDs (PMIDs) linked to inline citations in the XML files compared to citations harvested using the NCBI E-Utilities differed for 70.96% of the articles. Using an in-house citation matcher, called Patci, 6.84% of the referenced PMIDs were supplemented and corrected. OpCitance includes fewer total number of articles than the Semantic Scholar Open Research Corpus, but OpCitance has 160 thousand unique articles, a higher inline citation identification rate, and a more accurate reference mapping to PMIDs. We hope that OpCitance will facilitate citation context studies in particular and benefit text-mining research more broadly.
Effects of wearing different face masks on cardiopulmonary performance at rest and exercise in a partially double-blinded randomized cross-over study
Authors: Marek Eike-Maximillian , van Kampen Vera , Jettkant Birger , Kendzia Benjamin , Strauß Bianca , Sucker Kirsten , Ulbrich Melanie , Deckert Anja , Berresheim Hans , Eisenhawer Christian , Hoffmeyer Frank , Weidhaas Simon , Behrens Thomas , Brüning Thomas , Bünger Jürgen
Published: April 2023

The use of face masks became mandatory during SARS-CoV-2 pandemic. Wearing masks may lead to complaints about laboured breathing and stress. The influence of different masks on cardiopulmonary performance was investigated in a partially double-blinded randomized cross-over design. Forty subjects (19–65 years) underwent body plethysmography, ergometry, cardiopulmonary exercise test and a 4-h wearing period without a mask, with a surgical mask (SM), a community mask (CM), and an FFP2 respirator (FFP2). Cardiopulmonary, physical, capnometric, and blood gas related parameters were recorded. Breathing resistance and work of breathing were significantly increased while wearing a mask. During exercise the increase in minute ventilation tended to be lower and breathing time was significantly longer with mask than without mask. Wearing a mask caused significant minimal decreases in blood oxygen pressure, oxygen saturation, an initial increase in blood and inspiratory carbon dioxide pressure, and a higher perceived physical exertion and temperature and humidity behind the mask under very heavy exercise. All effects were stronger when wearing an FFP2. Wearing face masks at rest and under exercise, changed breathing patterns in the sense of physiological compensation without representing a health risk. Wearing a mask for 4-h during light work had no effect on blood gases.
Expedited diagnosis of pediatric tuberculosis using Truenat MTB-Rif Dx and GeneXpert MTB/RIF
Authors: Singh Urvashi B. , Singh Manjula , Sharma Sangeeta , Mahajan Neeraj , Bala Kiran , Srivastav Abhinav , Singh Kh Jitenkumar , Rao M. V. V. , Lodha Rakesh , Kabra Sushil K.
Published: April 2023

Rapid, cost-effective, and sensitive diagnostic assays are essential for global tuberculosis (TB) control, especially in high TB burden, resource-limited settings. The current study was designed to evaluate diagnostic accuracy of Truenat MTB-Rif Dx (MolBio) in children less than 18 years of age, with symptoms suggestive of TB. Gastric aspirate, induced sputum, and broncho-alveolar lavage samples were subjected simultaneously to AFB-smear, GeneXpert MTB/RIF, liquid culture (MGIT-960) and Truenat MTB-Rif Dx. The index-test results were evaluated against microbiological reference standards (MRS). Truenat MTB-Rif Dx had a sensitivity of 57.1%, specificity of 92% against MRS. The sensitivity and specificity of the Truenat MTB-RIF Dx compared with liquid culture was 58.7% and 87.5% while GeneXpert MTB/RIF was 56% and 91.4%. The performance of both GeneXpert MTB/RIF and Truenat MTB-Rif Dx are comparable. Result of our study demonstrates that Truenat MTB-Rif can aid in early and efficient diagnosis of TB in children.
Optimization of bandgap reduction in 2-dimensional GO nanosheets and nanocomposites of GO/iron-oxide for electronic device applications
Authors: Zainab Sana , Azeem Muhammad , Awan Saif Ullah , Rizwan Syed , Iqbal Naseem , Rashid Jamshaid
Published: April 2023

In this report we have developed different fabrication parameters to tailor the optical bandgap of graphene oxide (GO) nanosheets to make it operational candidate in electronic industry. Here we performed two ways to reduce the bandgap of GO nanosheets. First, we have optimized the oxidation level of GO by reducing amount of oxidizing agent (i.e. KMnO4) to control the sp2/sp3hybridization ratio for a series of GO nanosheets samples. We noticed the reduction in primary band edge 3.93–3.2 eV while secondary band edge 2.98–2.2 eV of GO nanosheets as the amount of KMnO4is decreased from 100 to 30%. Second, we have fabricated a series of 2-dimensional nanocomposites sample containing GO/Iron-oxide by using a novel synthesis process wet impregnation method. XRD analysis of synthesized nanocomposites confirmed the presence of both phases,$$\alpha$$α-Fe2O3and Fe3O4of iron-oxide with prominent plane (001) of GO. Morphological investigation rules out all the possibilities of agglomerations of iron oxide nanoparticles and coagulation of GO nanosheets. Elemental mapping endorsed the homogeneous distribution of iron oxide nanoparticles throughout the GO nanosheets. Raman spectroscopy confirmed the fairly constant ID/IGratio and FWHM of D and G peaks, thus proving the fact that the synthesis process of nanocomposites has no effect on the degree of oxidation of GO flakes. Red shift in G peak position of all the nanocomposites samples showed the electronic interaction among the constituents of the nanocomposite. Linear decrease in the intensity of PL (Photoluminescence) spectra with the increasing of Iron oxide nanoparticles points towards the increased interaction among the iron oxide nanoparticles and GO flakes. Optical absorption spectroscopy reveals the linear decrease in primary edge of bandgap from 2.8 to 0.99 eV while secondary edge decrease 3.93–2.2 eV as the loading of$$\alpha$$α-Fe2O3nanoparticles is increased from 0 to 5% in GO nanosheets. Among these nanocomposites samples 5%-iron-oxide/95%-GO nanosheet sample may be a good contestant for electronic devices.
Clamping force prediction based on deep spatio-temporal network for machining process of deformable parts
Authors: Li Enming , Zhou Jingtao , Yang Changsen , Wang Mingwei , Zhang Shusheng
Published: April 2023

As an important component of the machining system, the influence of fixtures on the machining deformation of the workpiece cannot be ignored. By controlling the clamping force during the machining process is an effective means to suppress or improve the machining deformation. However, due to the dynamic coupling of part geometry, clamping method, manufacturing process and time-varying cutting forces, it is difficult to obtain accurate clamping forces, which hinders the realization of fixture-based deformation control. In this paper, the variation of clamping force is considered as the response of the joint action of cutting force and other working conditions in spatial and temporal terms, and a clamping force prediction method based on deep spatio-temporal network is proposed. The part geometry model is first parameterized based on voxels, after which the cutting forces are dynamically correlated with the clamping forces in spatial and temporal terms. Then, a convolutional network was designed to capture the spatial correlation between the working conditions such as cutting force and clamping force, and a gated recurrent cell network to capture the temporal correlation to predict the clamping force during machining. Finally, an experiment of milling a cylindrical thin-walled part illustrates the effectiveness of the proposed method.
Exposure of preterm neonates receiving total parenteral nutrition to phthalates and its impact on neurodevelopment at the age of 2 months
Authors: Al-Saleh Iman , Elkhatib Rola , Alnuwaysir Hissah , Aldhalaan Hesham , Alismail Eiman , Binmanee Abdulaziz , Hawari Amal , Alhazzani Fahad , Jabr Mohammad Bin , Mohamed Gamal
Published: April 2023

This prospective study assessed the exposure to phthalates of preterm neonates who received total parenteral nutrition (TPN) during their stay in the neonatal intensive care unit (NICU) and the risk of neurodevelopment delays at the age of 2 months. Our study recruited 33 preterm neonates who required TPN upon NICU admission. Urine samples for analyzing phthalate metabolites were obtained at admission and then daily until the last day of receiving TPN. Phthalates in the daily TPN received by the preterm neonates were analyzed. The neurodevelopment of the neonates was assessed using the Ages and Stages Questionnaire Edition 3 (ASQ-3). Diethyl phthalate and butyl benzyl phthalate were found in all TPN samples, while 27% and 83% contained dibutyl phthalate and di-(2-ethylhexyl) phthalate (DEHP), respectively. Yet, the daily dose of each phthalate that our preterm neonates received from TPN was much lower than the recommended tolerable limit. Urinary levels of monobenzyl phthalate and four metabolites of DEHP [i.e., mono-(2-ethylhexyl) phthalate (MEHP), mono-(2-ethyl-5-hydroxyhexyl) phthalate, mono-(2-ethyl-5-oxohexyl) phthalate (MEOHP), and mono-(2-ethyl-5-carboxypentyl) phthalate (MECPP)] and the sum of four DEHP metabolites (∑4DEHP) increased significantly in preterm neonates before discharge. However, these levels were not correlated with their phthalate parent compounds in TPN, suggesting other sources of exposure in the NICU. At 2 months, we found that urinary levels of mono-iso-butyl phthalate (MiBP), MECPP, MEHP, and ∑4DEHP were inversely related to fine motor skills. After adjusting for head circumference, the inverse relationships remained significant, suggesting direct effects from phthalates. Given the extreme vulnerability of our population, it is critical to minimize exposure to phthalates during their NICU stay.
Comparing x-ray phase-contrast imaging using a Talbot array illuminator to propagation-based imaging for non-homogeneous biomedical samples
Authors: Riedel Mirko , Taphorn Kirsten , Gustschin Alex , Busse Madleen , Hammel Joerg U. , Moosmann Julian , Beckmann Felix , Fischer Florian , Thibault Pierre , Herzen Julia
Published: April 2023

Phase-contrast computed tomography can visualize soft tissue samples with high contrast. At coherent sources, propagation-based imaging (PBI) techniques are among the most common, as they are easy to implement and produce high-resolution images. Their downside is a low degree of quantitative data due to simplifying assumptions of the sample properties in the reconstruction. These assumptions can be avoided, by using quantitative phase-contrast techniques as an alternative. However, these often compromise spatial resolution and require complicated setups. In order to overcome this limitation, we designed and constructed a new imaging setup using a 2D Talbot array illuminator as a wavefront marker and speckle-based imaging phase-retrieval techniques. We developed a post-processing chain that can compensate for wavefront marker drifts and that improves the overall sensitivity. By comparing two measurements of biomedical samples, we demonstrate that the spatial resolution of our setup is comparable to the one of PBI scans while being able to successfully image a sample that breaks the typical homogeneity assumption used in PBI.
Optimal water supply reservoir operation by leveraging the meta-heuristic Harris Hawks algorithms and opposite based learning technique
Authors: Lai V. , Huang Y. F. , Koo C. H. , Ahmed Ali Najah , Sherif Mohsen , El-Shafie Ahmed
Published: April 2023

To ease water scarcity, dynamic programming, stochastic dynamic programming, and heuristic algorithms have been applied to solve problem matters related to water resources. Development, operation, and management are vital in a reservoir operating policy, especially when the reservoir serves a complex objective. In this study, an attempt via metaheuristic algorithms, namely the Harris Hawks Optimisation (HHO) Algorithm and the Opposite Based Learning of HHO (OBL-HHO) are made to minimise the water deficit as well as mitigate floods at downstream of the Klang Gate Dam (KGD). Due to trade-offs between water supply and flood management, the HHO and OBL-HHO models have configurable thresholds to optimise the KGD reservoir operation. To determine the efficacy of the HHO and OBL-HHO in reservoir optimisation, reliability, vulnerability, and resilience are risk measures evaluated. If inflow categories are omitted, the OBL-HHO meets 71.49% of demand compared to 54.83% for the standalone HHO. The HHO proved superior to OBL-HHO in satisfying demand during medium inflows, achieving 38.60% compared to 20.61%, even though the HHO may have experienced water loss at the end of the storage level. The HHO is still a promising method, as proven by its reliability and resilience indices compared to other published heuristic algorithms: at 62.50% and 1.56, respectively. The Artificial Bee Colony (ABC) outcomes satisfied demand at 61.36%, 59.47% with the Particle Swarm Optimisation (PSO), 55.68% with the real-coded Genetic Algorithm (GA), and 23.5 percent with the binary GA. For resilience, the ABC scored 0.16, PSO scored 0.15, and real coded GA scored 0.14 whilst the binary-GA has the worst failure recovery algorithm with 0.09.
CBD hydroxyquinone photo-isomerises to a highly reactive intermediate
Authors: Thomson Brodie. J. , Hanna Summer , Schwarzenberg Adrian , Kiani Pirouz , Bizzotto Dan , Kennepohl Pierre , Davies Ashley , Roggen Markus , Sammis Glenn M.
Published: April 2023

The legalisation of hemp has led to wide commercial availability of cannabidiol (CBD)-containing products. Here we show that the CBD-hydroxyquinone (HU-331), a readily formed oxidation product and common impurity in CBD isolates, undergoes a previously unknown photo-isomerisation to produce a highly reactive intermediate in solution. Studies supported by calculations indicate that this intermediate rapidly reacts with oxygen to form a multitude of cannabinoid products. The purple colour observed in light-aged CBD-containing solutions is largely due to the anions of these by-products and is not significantly due to the HU-331 anion. Our findings suggest that these uncharacterized cannabinoid derivatives can be present in CBD-containing e-liquids and solutions that have been stored under ambient light conditions, calling for quality control processes that manage HU-331 contamination.
Preliminary evaluation of deep learning for first-line diagnostic prediction of tumor mutational status
Authors: Morel Louis-Oscar , Derangère Valentin , Arnould Laurent , Ladoire Sylvain , Vinçon Nathan
Published: April 2023

The detection of tumour gene mutations by DNA or RNA sequencing is crucial for the prescription of effective targeted therapies. Recent developments showed promising results for tumoral mutational status prediction using new deep learning based methods on histopathological images. However, it is still unknown whether these methods can be useful aside from sequencing methods for efficient population diagnosis. In this retrospective study, we use a standard prediction pipeline based on a convolutional neural network for the detection of cancer driver genomic alterations in The Cancer Genome Atlas (TCGA) breast (BRCA, n = 719), lung (LUAD, n = 541) and colon (COAD, n = 459) cancer datasets. We propose 3 diagnostic strategies using deep learning methods as first-line diagnostic tools. Focusing on cancer driver genes such as KRAS, EGFR or TP53, we show that these methods help reduce DNA sequencing by up to 49.9% with a high sensitivity (95%). In a context of limited resources, these methods increase sensitivity up to 69.8% at a 30% capacity of DNA sequencing tests, up to 85.1% at a 50% capacity, and up to 91.8% at a 70% capacity. These methods can also be used to prioritize patients with a positive predictive value up to 90.6% in the 10% patient most at risk of being mutated. Limitations of this study include the lack of external validation on non-TCGA data, dependence on prevalence of mutations in datasets, and use of a standard DL method on a limited dataset. Future studies using state-of-the-art methods and larger datasets are needed for better evaluation and clinical implementation.
Annexins A2 and A5 are potential early biomarkers of hepatocarcinogenesis
Authors: Herrera-López Ema Elvira , Guerrero-Escalera Dafne , Aguirre-Maldonado Isaac , López-Hernández Arely , Montero Hilda , Gutiérrez‐Nava María Angélica , del Pozo-Yauner Luis , Arellanes-Robledo Jaime , Camacho Javier , Pérez-Carreón Julio Isael
Published: April 2023

Hepatocellular carcinoma (HCC) is a highly lethal liver cancer with late diagnosis; therefore, the identification of new early biomarkers could help reduce mortality. We determine the tissue and plasma status of five annexins during hepatocarcinogenesis by diethylnitrosamine-induced cirrhosis-HCC. We found thatAnxa5was the earliest upregulated gene at week 12 after HCC initiation, whileAnxa1andAnxa2were upregulated in advanced HCC stages (weeks 18 and 22). Furthermore, the protein level of Annexin A1, A2, A5 and A10 was increased from the early stages. Immunofluorescence and subcellular fractionation revealed Annexin A1, A2, and A5 in the cytoplasm and nuclei of tumor cells. Notably, increased plasma levels of Annexin A5 significantly (r2 = 0.8203) correlated with Annexin A5 levels in liver tissue from week 12 and gradually increased until week 22. Using the TCGA database, we found that the expression ofANXA2(HR = 1.7,p = 0.0046) andANXA5(HR = 1.8,p = 0.00077) was associated with poor survival in HCC patients. In conclusion, we have identified Annexin A1 and A5 as potentially useful early biomarkers for poor prognosis in HCC patients.
A blue-shifted anion channelrhodopsin from the Colpodellida alga Vitrella brassicaformis
Authors: Kojima Keiichi , Kawanishi Shiho , Nishimura Yosuke , Hasegawa Masumi , Nakao Shin , Nagata Yuya , Yoshizawa Susumu , Sudo Yuki
Published: April 2023

Microbial rhodopsins, a family of photoreceptive membrane proteins containing the chromophore retinal, show a variety of light-dependent molecular functions. Channelrhodopsins work as light-gated ion channels and are widely utilized for optogenetics, which is a method for controlling neural activities by light. Since two cation channelrhodopsins were identified from the chlorophyte alga Chlamydomonas reinhardtii, recent advances in genomic research have revealed a wide variety of channelrhodopsins including anion channelrhodopsins (ACRs), describing their highly diversified molecular properties (e.g., spectral sensitivity, kinetics and ion selectivity). Here, we report two channelrhodopsin-like rhodopsins from the Colpodellida alga Vitrella brassicaformis, which are phylogenetically distinct from the known channelrhodopsins. Spectroscopic and electrophysiological analyses indicated that these rhodopsins are green- and blue-sensitive pigments (λmax =  ~ 550 and ~ 440 nm) that exhibit light-dependent ion channeling activities. Detailed electrophysiological analysis revealed that one of them works as a monovalent anion (Cl−, Br− and NO3−) channel and we named it V. brassicaformis anion channelrhodopsin-2, VbACR2. Importantly, the absorption maximum of VbACR2 (~ 440 nm) is blue-shifted among the known ACRs. Thus, we identified the new blue-shifted ACR, which leads to the expansion of the molecular diversity of ACRs.
Effects of extremely low frequency electromagnetic fields on the tumor cell inhibition and the possible mechanism
Authors: Sun Jie , Tong Yingying , Jia Yu , Jia Xu , Wang Hua , Chen Yang , Wu Jiamin , Jin Weiyang , Ma Zheng , Cao Kai , Li Xiangdong , Chen Zhonglin , Yang Guanghua
Published: April 2023

Low-frequency magnetic fields exert a significant inhibitory effect on tumor growth and have been developed as a therapeutic modality. However, the effect of a low-frequency magnetic field on the interaction between cells is still poorly understood. This study aimed to preliminarily evaluate the direct effect of magnetic field ditectely on cultured cells and indirect effect mediated by cell-environment (conditioned medium). 293 T cells, Hepg2 cells, A549 cells have been cultured at 37 ± 0.18 °C in presence of an extremely low-frequency magnetic field of 20 Hz, 5-mT. The adherent tumor cells were more sensitive to magnetic field inhibition in the original environment (conditioned medium) with adherence inhibition rate for Hepg2 and A549 estimated at 18% and 30% respectively. The inhibition effect was suppressed when the suspended cells separated or clump density at a low density. The nontumor cell lines showed no inhibitory effect on exposure to a low-frequency magnetic field. The intracellular ion fluorescence (IIF) showed that the magnetic field significantly altered the membrane potential, indicating hyperpolarization of the adherent cells (ΔIIF 293 T cells: − 25%, ΔIIF Hepg2 cells: − 20% and ΔIIF A549 cells: − 13%) and depolarization of the suspended cells (ΔIIF Raji cells: + 9%). In addition, the conditioned media collected after magnetic field exposure acted on unexposed tumor cells and caused inhibition. Our findings might provide a basis for the mechanism of magnetic field interaction between cells and cell environment in the future.
Muscle synergies in Parkinson’s disease before and after the deep brain stimulation of the bilateral subthalamic nucleus
Authors: Ghislieri Marco , Lanotte Michele , Knaflitz Marco , Rizzi Laura , Agostini Valentina
Published: April 2023

The aim of this study is to quantitatively assess motor control changes in Parkinson’s disease (PD) patients after bilateral deep brain stimulation of the subthalamic nucleus (STN-DBS), based on a novel muscle synergy evaluation approach. A group of 20 PD patients evaluated at baseline (before surgery, T0), at 3 months (T1), and at 12 months (T2) after STN-DBS surgery, as well as a group of 20 age-matched healthy control subjects, underwent an instrumented gait analysis, including surface electromyography recordings from 12 muscles. A smaller number of muscle synergies was found in PD patients (4 muscle synergies, at each time point) compared to control subjects (5 muscle synergies). The neuromuscular robustness of PD patients—that at T0 was smaller with respect to controls (PD T0: 69.3 ± 2.2% vs. Controls: 77.6 ± 1.8%, p = 0.004)—increased at T1 (75.8 ± 1.8%), becoming not different from that of controls at T2 (77.5 ± 1.9%). The muscle synergies analysis may offer clinicians new knowledge on the neuromuscular structure underlying PD motor types of behavior and how they can improve after electroceutical STN-DBS therapy.
Laser isotope separation of 223Ra
Authors: Suryanarayana M. V.
Published: April 2023

A three-step photoionization has been theoretically studied for the laser isotope separation of 223Ra through the following photoionization scheme. $$\begin{aligned}7s^{2} {}^{1}S_{0} \left( {0.0 \;{\text{cm}}^{ - 1} } \right)\xrightarrow{{714.3185\;{\text{nm}}}} 7s7p\;{}^{3}P_{1}^{o} \left( {13999.3569\;{\text{cm}}^{ - 1} } \right) \xrightarrow{{784.0270\;{\text{nm}}}}\\7s8s\;{}^{3}S_{1} \left( {26754.02 {\text{cm}}^{ - 1} } \right) \xrightarrow{{558/581\;{\text{nm}}}} {\text{Autoionization State}} \to {\text{Ra}}^{ + }\end{aligned}$$

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714.3185

nm

7
s
7
p

3

P

1

o

13999.3569

cm

-
1

→

784.0270

nm

7
s
8
s

3

S
1

26754.02

cm

-
1

→

558
/
581

nm

Autoionization State

→

Ra

+

The effect of bandwidth, peak power density of the excitation and ionization lasers, Doppler broadening of the atomic ensemble, number density of the atoms, and charge exchange collisions on the laser isotope separation process has been studied. The optimum system parameters for the separation of 223Ra through this photoionization scheme have been derived. The effect of unknown parameters on the degree of enrichment has also been discussed. It has been theoretically shown that it is possible to produce 223Ra isotope with 98.5% radio-isotopic purity at a rate of 0.74 μg/h corresponding to the production rate of 435 patient doses per hour. This is the first ever study on the laser isotope separation of Radium isotopes.
The effect of RCA pavements on the liquefaction-induced settlement
Authors: Akbas Merve , Subasi Ozan , Iyisan Recep
Published: April 2023

The use of recycled concrete aggregates (RCA) not only reduces the demand for natural aggregates (NA) but also might improve the behavior of soil under earthquake loading. In this study, the behavior of the pavement constructed using 100% RCA and NA on a sandy soil layer with high liquefaction potential under dynamic loads was investigated by numerical analysis and compared with free field conditions. For this purpose, first, the classical geotechnical properties of 100% RCA and NA materials were obtained, and then the stiffness properties were determined by resilient modulus and permanent deformation tests. In the second stage, three different models were created with pavement with NA and RCA and without pavement on high liquefaction potential sand, and dynamic analyses were carried out by PM4Sand. Numerical analyses show that constructing a subbase and base layers significantly reduces liquefaction-induced settlement on the surface of flexible pavements built on liquefied soils. Moreover, when the case of using RCA instead of NA in the subbase and base layers built on the liquefied soil is examined, the liquefaction-induced settlement values on the surface are obtained either lower or very close. Consequently, this study proposes a new alternative to the use of RCA waste materials instead of NA. It is expected the use of these waste materials will reduce the need for storage space and also reduce the negative environmental effects associated with storage.
Micro-mechanical response and power-law exponents from the longitudinal fluctuations of F-actin solutions
Authors: Domínguez-García Pablo , Pinto Jose R. , Akrap Ana , Jeney Sylvia
Published: April 2023

We investigate the local fluctuations of filamentous actin (F-actin), with a focus on the skeletal thin filament, using single-particle optical trapping interferometry.
Glucose-decorated engineering platelets for active and precise tumor-targeted drug delivery
Authors: Zhao Jiaxuan , Shi Yan , Xue Lixia , Liang Yuqing , Shen Jiale , Wang Jiarui , Wu Meng , Chen Hao , Kong Ming
Published: April 2023

An engineered platelet-based delivery cyto-carrier was developed with a homing ability toward tumors and bleeding injury sites, as well as increased affinity mediated by glucose and GLUT1 to achieve accurate drug delivery to tumors.
Synthesis of azole-functionalized microspheres and their adsorption properties for gold(i) thiosulfate complex
Authors: Zhao Li , Chen Shuliang , Hu Xianzhi , Zi Futing
Published: April 2023

PS-3-AT as a novel functional microsphere was prepared via grafting process, which exhibited excellent adsorption properties for gold(i)–thiosulfate complex.
A supramolecular fluorescence array sensor for toxic heavy metal ion detection in environmental water and rice seedling extracts
Authors: Yang Ru-Pei , Huang Shu-Zhen , Wei Kai-Ni , Tang Qing , Tao Zhu , Huang Ying , Zhao An-Ting
Published: April 2023

A supramolecular fluorescence array sensor based on cucurbituril-dye host–guest complexes (6-QAA@Q[7], PyY@Q[7], and TO@Q[8]) was constructed. This sensor provides a quick and convenient method for monitoring toxic heavy metal ions in water.
Visible light-induced synthesis of 1,3-disubstituted bicyclo[1.1.1]pentane ketonesviacooperative photoredox and N-heterocyclic carbene catalysis
Authors: Gao Yan , Zheng Zicong , Zhu Yu , Xu Wenhao , Zhou Yu , Yu Chuanming , Jiang Xinpeng
Published: April 2023

Visible light-induced highly efficient synthesis of 1,3-disubstituted bicyclo[1.1.1]pentane with mild conditions, high atom economy, and superior functional group tolerance.
Enhanced thermal stability by short-range ordered ferroelectricity in K0.5Na0.5NbO3-based piezoelectric oxides
Authors: Hwang Soo-Yoon , Lee Gyoung-Ja , Qi Yuzhao , Listyawan Michael Abraham , Song Kyung , Kang Youngho , Ryu Jungho , Lu Xiaoyan , Lee Min-Ku , Choi Si-Young
Published: April 2023

The thermal stability of piezoelectricity in lead-free oxides is enhanced up to 300 °C with little loss of 6%. This record-value is achieved by a synergistic effect of shortening the polar ordering range and pinning the polar state in fine-grained oxides.
Turn-on type afterglow probe for Hg2+sensing by a PVA-mediated triplet sensitizer
Authors: Takegawa Satoshi , Ito Masato , Kubo Yuji
Published: April 2023

A turn-on type afterglow probe was developed by Hg2+-triggered desulfurization of 1. The emission was activated by benzoylphenyl boronate-crosslinked PVA.
Preparation of amino-substituted anthraquinone: study of the intersystem crossing and application as efficient photoinitiators for photopolymerization
Authors: Wang Ruilei , Cao Huaiman , Zhao Jianzhang , Yu Fabiao
Published: April 2023

Intersystem crossing was observed for diaminoanthraquinone via transient absorption spectroscopy and the compounds were used as novel initiators for photopolymerization.
Synthesis of 1,4-dithiins and 1,4-diselenins from alkynes and elemental sulfur/selenium under transition metal-free conditions with high regioselectivity
Authors: Cheng Lu , Wang Mengdan , Gu Yingge , He Peng , Wang Zongkang , Zhuang Ziyi , Kong Lingkai , Li Yanzhong
Published: April 2023

A straightforward protocol for the synthesis of various 1,4-dithiines and 1,4-diselenins starting from alkynes and elemental sulfur/selenium with high regioselectivity under transition metal-free conditions is demonstrated.
Recent analytical methodologies for the determination of anti-covid-19 drug therapies in various matrices: a critical review
Authors: Khalil Hadeel A. , Hassanein Nermeen A. , El-Yazbi Amira F.
Published: April 2023

Since the discovery of the first case infected with severe acute respiratory syndrome coronavirus-2 (SARS CoV-2) in Wuhan, China in December 2019, it has turned into a global pandemic.
Polymeric copper(ii) and dimeric oxovanadium(v) complexes of amide–imine conjugate: bilirubin recognition and green catalysis
Authors: Das Jayanta , Ta Sabyasachi , Salam Noor , Das Sudipta , Ghosh Subhasis , Das Debasis
Published: April 2023

Polymeric Cu(ii) (C1) and dimeric oxo-vanadium (V1) complexes of amide–imine conjugate function as bilirubin sensor, as green catalyst for C–S cross-coupling and catalyst for sulfide oxidation. Their structures are confirmed by SC-XRD analysis.
Highly thermal conductive shape-stabilized composite phase change materials based on boron nitride and expanded graphite for solar thermal applications
Authors: Huang Dongfang , Ma Guixiang , Yu Zhixiao , Lv Peng , Zhou Quanbao , Liu Quanyu , Peng Cheng , Xiong Fan , Huang Yan
Published: April 2023

SA–BA eutectic mixture based shape-stabilized composite PCMs composed of BN and EG for thermal conductivity enhancement are provided.
In situformation of red/black phosphorus-modified SiO2@g-C3N4multi-heterojunction for the enhanced photocatalytic degradation of organic contaminants
Authors: Li Jiancheng , Wang Chi , Ma Yixing , Li Kai , Mei Yi
Published: April 2023

A novel metal-free material BP/RP-g-C3N4/SiO2was synthesizedviaballmilling and exhibited high photodegradation efficiency for organic contaminants.
CuI-mediated synthesis of 1-aryl-5,6,7-trimethoxybenzimidazoles as potent antitubulin agents
Authors: Peng Cong-Min , Wang Shih-Wei , Hwang Yi-Lin , Sun Wen-Chun , Chiu Li-Pin , Liu Yi-Ting , Lai Yu-Wei , Lee Hsueh-Yun
Published: April 2023

In situ CuI-mediated cyclization helps construct N-aryl-5,6,7-trimethoxybenzimidazoles. Compound 10 displayed potent antiproliferative activity and inhibitory activity of tubulin polymerization.
Insertion of CO2and CS2into Bi–N bonds enables catalyzed CH-activation and light-induced bismuthinidene transfer
Authors: Oberdorf Kai , Hanft Anna , Xie Xiulan , Bickelhaupt F. Matthias , Poater Jordi , Lichtenberg Crispin
Published: April 2023

CO2and CS2cleanly insert into Bi–N bonds of cationic bismuth amides. The insertion products are metastable and undergo either CO2elimination along with CH activation or light-induced bismuth(i) triflate elimination along with C–S bond formation.
Ultralow thermal conductivity in the mixed-anion solid solution Sn2SbS2−xSexI3
Authors: Mark Justin , Zhang Wenhao , Maeda Kazuhiko , Yamamoto Takafumi , Kageyama Hiroshi , Mori Takao
Published: April 2023

The mixed-anion compounds Sn2SbS2−xSexI3 (x = 0, 0.2, 0.5) and Sn2BiS2I3 were synthesized and ultralow thermal conductiviy was found for the mixed-anion solid solution.
Large-scale clustering of buried X-ray AGN: Trends in AGN obscuration and redshift evolution
Authors: Viitanen A. , Allevato V. , Finoguenov A. , Shankar F. , Gilli R. , Lanzuisi G. , Vito F.
Published: April 2023

Aims. In order to test active galactic nucleus (AGN) unification and evolutionary models, we measured the AGN clustering properties as a function of AGN obscuration defined in terms of hydrogen column density, NH. In addition to measuring the clustering of unobscured (NH < 1022 cm−2) and moderately obscured (1022 ≤ NH < 1023.5) AGNs, we also targeted highly obscured sources (NH ≥ 1023.5) up to redshifts of z = 3.

Methods. We have compiled one of the largest samples of X-ray-selected AGNs from a total of eight deep XMM/Chandra and multiwavelength surveys. We measured the clustering as a function of both AGN obscuration and redshift using the projected two-point correlation function, wp(rp). We modeled the large-scale clustering signal, measured the AGN bias, b(z, NH), and interpreted it in terms of the typical AGN host dark matter halo, Mhalo(z, NH).

Results. We find no significant dependence of AGN clustering on obscuration, suggesting similar typical masses of the hosting halos as a function of NH. This result matches expectations of AGN unification models, in which AGN obscuration depends mainly on the viewing angle of the obscuring torus. We measured, for the first time, the clustering of highly obscured AGNs and find that these objects reside in halos with typical mass log Mhalo = 12.98−0.22+0.17[h−1 M⊙] (12.28−0.19+0.13) at low z ∼ 0.7 (high z ∼ 1.8) redshifts. We find that irrespective of obscuration, an increase in AGN bias with redshift is slower than the expectation for a constant halo mass and instead follows the growth rate of halos, known as the passive evolution track. This implies that for those AGNs the clustering is mainly driven by the mass growth rate of the hosting halos and galaxies across cosmic time.
Joint machine learning and analytic track reconstruction for X-ray polarimetry with gas pixel detectors
Authors: Cibrario N. , Negro M. , Moriakov N. , Bonino R. , Baldini L. , Di Lalla N. , Latronico L. , Maldera S. , Manfreda A. , Omodei N. , Sgró C. , Tugliani S.
Published: April 2023

We present our study on the reconstruction of photoelectron tracks in gas pixel detectors used for astrophysical X-ray polarimetry. Our work aims to maximize the performance of convolutional neural networks (CNNs) to predict the impact point of incoming X-rays from the image of the photoelectron track. A very high precision in the reconstruction of the impact point position is achieved thanks to the introduction of an artificial sharpening process of the images. We find that providing the CNN-predicted impact point as input to the state-of-the-art analytic analysis improves the modulation factor (~1% at 3 keV and ~6% at 6 keV) and naturally mitigates a subtle effect appearing in polarization measurements of bright extended sources known as “polarization leakage”.