bluuebunny/crossref_metadata_2025_split huggingface dataset:
MR signature matching (MRSIGMA) implementation for true real‐time free‐breathing volumetric imaging with sub‐200 ms latency on an MR‐Linac
Authors: Siddiq Saad , Murray Victor , Tyagi Neelam , Borman Pim , Gui Chengcheng , Crane Christopher , Wu Can , Otazo Ricardo 
Published: April 2024

AbstractPurposeDevelop a true real‐time implementation of MR signature matching (MRSIGMA) for free‐breathing 3D MRI with sub‐200 ms latency on the Elekta Unity 1.5T MR‐Linac.MethodsMRSIGMA was implemented on an external computer with a network connection to the MR‐Linac. Stack‐of‐stars with partial kz sampling was used to accelerate data acquisition and ReconSocket was employed for simultaneous data transmission. Movienet network computed the 4D MRI motion dictionary and correlation analysis was used for signature matching. A programmable 4D MRI phantom was utilized to evaluate MRSIGMA with respect to a ground‐truth translational motion reference. In vivo validation was performed on patients with pancreatic cancer, where 15 patients were employed to train Movienet and 7 patients to test the real‐time implementation of MRSIGMA. Dice coefficients between real‐time MRSIGMA and a retrospectively computed 4D reference were used to evaluate motion tracking performance.ResultsMotion dictionary was computed in under 5 s. Signature acquisition and matching presented 173 ms latency on the phantom and 193 ms on patients. MRSIGMA presented a mean error of 1.3–1.6 mm for all phantom experiments, which was below the 2 mm acquisition resolution along the motion direction. The Dice coefficient over time between MRSIGMA and reference contours was 0.88 ± 0.02 (GTV), 0.87 ± 0.02(duodenum‐stomach), and 0.78 ± 0.02(small bowel), demonstrating high motion tracking performance for both tumor and organs at risk.ConclusionThe real‐time implementation of MRSIGMA enabled true real‐time free‐breathing 3D MRI with sub‐200 ms imaging latency on a clinical MR‐Linac system, which can be used for treatment monitoring, adaptive radiotherapy and dose accumulation mapping in tumors affected by respiratory motion.
Machine learning in solid mechanics: Application to acoustic metamaterial design
Authors: Yago D. , Sal‐Anglada G. , Roca D. , Cante J. , Oliver J. 
Published: April 2024

AbstractMachine learning (ML) and Deep learning (DL) are increasingly pivotal in the design of advanced metamaterials, seamlessly integrated with material or topology optimization. Their intrinsic capability to predict and interconnect material properties across vast design spaces, often computationally prohibitive for conventional methods, has led to groundbreaking possibilities. This paper introduces an innovative machine learning approach for the optimization of acoustic metamaterials, focusing on Multiresonant Layered Acoustic Metamaterial (MLAM), designed for targeted noise attenuation at low frequencies (below 1000 Hz). This method leverages ML to create a continuous model of the Representative Volume Element (RVE) effective properties essential for evaluating sound transmission loss (STL), and subsequently used to optimize the overall topology configuration for maximum sound attenuation using a Genetic Algorithm (GA). The significance of this methodology lies in its ability to deliver rapid results without compromising accuracy, significantly reducing the computational overhead of complete topology optimization by several orders of magnitude. To demonstrate the versatility and scalability of this approach, it is extended to a more intricate RVE model, characterized by a higher number of parameters, and is optimized using the same strategy. In addition, to underscore the potential of ML techniques in synergy with traditional topology optimization, a comparative analysis is conducted, comparing the outcomes of the proposed method with those obtained through direct numerical simulation (DNS) of the corresponding full 3D MLAM model. This comparative analysis highlights the transformative potential of this combination, particularly when addressing complex topological challenges with significant computational demands, ushering in a new era of metamaterial and component design.
Syntheses of high molecular mass polyglycolides via ring‐opening polymerization with simultaneous polycondensation (ROPPOC) by means of tin and zinc catalysts
Authors: Kricheldorf Hans R. , Weidner Steffen M. , Meyer Andreas 
Published: April 2024

AbstractGlycolide was polymerized in bulk by means of four different ROPPOC catalysts: tin(II) 2‐ethylhexanoate (SnOct2), dibutyltin bis(pentafluoro‐phenoxide) (BuSnOPF), zinc biscaproate (ZnCap), and zinc bis(pentafluoro‐phenyl sulfide) (ZnSPF). The temperature was varied between 110 and 180°C and the time between 3 h and 7 days. For the few polyglycolides (PGAs) that were soluble extremely high molecular masses were obtained. The MALDI TOF mass spectra had all a low signal‐to‐noise ration and displayed the peaks of cyclic PGAs with a “saw‐tooth pattern” indicating formation of extended‐ring crystallites in the mass range below m/z 2500. The shape of DSC curves varied considerably with catalyst and reaction conditions, whereas the long‐distance values measured by SAXS were small and varied little with the polymerization conditions.
Polymers as candidates for broad‐spectrum antivirals—in vitro inhibition of Zika virus with sodium polyanethole sulfonate
Authors: Obłoza Magdalena , Milewska Aleksandra , Botwina Paweł , Górecka Magdalena , Szczepański Artur , Medaj Aneta , Bonarek Piotr , Szczubiałka Krzysztof , Pyrć Krzysztof , Nowakowska Maria 
Published: April 2024

AbstractZika virus (ZIKV), belonging to the family of flaviviruses, is an emerging mosquito‐borne pathogen causing microcephaly and other congenital abnormalities in newborns as well as various neurologic pathologies in adults. The climate change and the lifestyle of current societies, involving global mobility, result in a rapid broadening of ZIKV geographic distribution. There are no vaccines or drugs available to protect against or cure the diseases caused by that virus. Our in vitro studies have demonstrated that sodium polyanethole sulfonate (PASNa), a degradable polymer used in various biomedical applications, acts as an efficient ZIKV inhibitor, both in animal and human cells. The mechanistic studies indicated that PASNa bound to the ZIKV particles thus hindering their attachment to the host cells and also interfered in the late steps of viral replication. PASNa is characterized by very low cytotoxicity and its antiviral activity can be achieved at a concentration much lower than that at which its anticoagulant activity has to be considered. Isothermal titration calorimetry (ITC) studies have shown that the interaction of PASNa with human serum albumin (HSA), the most abundant blood protein, is the endothermic, entropy‐driven process resulting in the formation of stoichiometric (1:1) PASNa‐HSA complexes with a hydrodynamic diameter of 8.8 ± 0.8 nm and zeta potential (ζ) equal to −21.3 mV. The analysis of CD spectra indicated that PASNa did not significantly affect the HSA secondary structure on binding to that protein.
Characterization and therapeutic potential of chitosan‐zinc oxide nanostructured particles synthesized using crab shell derived biopolymer
Authors: Rajan Durairaj Karthick , Saravanan Kandasamy , Mohan Kannan , Mythili R. , Vatin Nikolai Ivanovich , Zhang Shumiao , Ravikumar Vilwanathan , Zhang Shubing 
Published: April 2024

AbstractThe development of novel drug candidates for treating microbial infections and cancer turns into a challenging task. The biopolymer‐based nanomaterials have gained popularity for their effective roles in the pharmaceutical sector. The present investigation aims to valorize crab shell wastes to extract chitosan. The obtained (chitosan) biomass was utilized to synthesize chitosan‐zinc oxide nanoparticles (Ch‐ZnO‐NPs). The nanomaterial characterization was achieved by a variety of physicochemical techniques including UV, Fourier transform infrared spectroscopy (FT‐IR), X‐ray diffraction (XRD), elemental analysis, and High‐resolution transmission electron microscopic (HR‐TEM) examination. The synthesized nanomaterials have a particle size range of 35–80 nm and are more stable with a zeta potential value of (−40.78) mv. Additionally, the designed nanomaterials were utilized to evaluate the biological efficiency. The minimal inhibitory concentration value of Ch‐ZnO‐NPs was observed as 10 μg/mL. The designed nanomaterials significantly reduced the growth of Vibrio alginolyticus and Bacillus cereus and inhibited biofilm formation. The synthesized Ch‐ZnO‐NPs unveiled cytotoxic effects on A549 cells with an IC50 (half‐maximal inhibitory concentration) of 20 μg/mL. Furthermore, substantial increase in cell death was noticed in A549 cells treated with Ch‐ZnO‐NPs. Consequently, this investigation concludes that Ch‐ZnO‐NPs may act as a biomedicine.
Bioactive materials‐coated polybutylene‐adipate‐co‐terephthalate 3D‐printed scaffolds for application in the bone tissues engineering
Authors: Menezes Felipe Castro , Scheibel Jóice Maria , de Souza Balbinot Gabriela , Miranda Gabriela Messias , Leitune Vicente Castelo Branco , Collares Fabricio Mezzomo , Soares Rosane Michele Duarte 
Published: April 2024

AbstractBone tissue engineering (BTE) is a biomedical area that develops scaffolds capable of mimicking and repairing damage on bone tissue. For this, a popular and nonexpensive 3D printing technique named fused deposition modeling (FDM) has been used. The potential use of 3D scaffolds of poly(butylene adipate‐co‐terephthalate (PBAT) has been investigated in BTE since this polymer presents good biocompatibility and degradability, as well as mechanical properties like those offered by the natural bone. A single material does not have the features to promote cell adhesion, proliferation, and differentiation; the incorporation of bioactive substances can overcome this issue. This work aimed to develop 3D printed PBAT scaffolds by FDM technique and coated them with hydroxyapatite (H), bioglass (B), and gelatin (G) by solution immersion technique to obtain a functional biomaterial to be applied on the BTE. Structural characteristics and morphological and mechanical properties of the 3D scaffolds were evaluated. The cell proliferation and mineralization of pre‐osteoblastic cells (MC3T3‐E1) were accessed by methylthiazolyldiphenyl‐tetrazolium bromide, sulphorodhamine B, and Alizarin red assay, respectively. 3D printed PBAT scaffolds were successfully obtained by FDM, and the surface modification of 3D PBAT was proven through the changes observed in structural and morphological characteristics. In addition, the mechanical properties were improved in the modified scaffolds. Also, the coated 3D PBAT scaffolds with any bioactive substance increased and promoted cell proliferation and pre‐osteoblastic differentiation. Therefore, the combination of 3D PBAT scaffolds and H, G, and/or B (doped with niobium) is an alternative to produce functional biomaterials for BTE.
Improving the mechanical properties of vulcanizates containing ground tire rubber: Recipe optimization with the Taguchi method
Authors: Kiss Lóránt , Molnár Márk János , Mészáros László 
Published: April 2024

AbstractIn this study, we optimized the recipe of ground tire rubber (GTR) containing natural rubber–based vulcanizates using the Taguchi method. We examined the effect of the amount of different components on the mechanical properties of natural rubber–based vulcanizates containing GTR. We determined the individual impact of each component on the tensile strength, elongation at break, modulus, tear strength, and hardness of the vulcanizates. However, when multiple components are changed simultaneously, understanding the underlying processes can be challenging. Nevertheless, using the Taguchi method, we were able to decide which component quantity we needed to modify to enhance a specific mechanical property. With the Taguchi method, we determined how and to what extent each component influences the tensile strength of vulcanizates in a sulfur‐based vulcanization system. Finally, based on the results, we formulated a recipe to produce a vulcanizate with approximately 43% higher tensile strength compared to the reference.
Clarifying the causal contrast: An empirical example applying the prevalent new user study design
Authors: Young Jessica C. , Webster‐Clark Michael , Shmuel Shahar , Garry Elizabeth M. , Mavros Panagiotis , Stürmer Til , Girman Cynthia J. 
Published: April 2024

AbstractPurposeThe prevalent new user design extends the active comparator new user design to include patients switching to a treatment of interest from a comparator. We examined the impact of adding “switchers” to incident new users on the estimated hazard ratio (HR) of hospitalized heart failure.MethodsUsing MarketScan claims data (2000–2014), we estimated HRs of hospitalized heart failure between patients initiating GLP‐1 receptor agonists (GLP‐1 RA) and sulfonylureas (SU). We considered three estimands: (1) the effect of incident new use; (2) the effect of switching; and (3) the effect of incident new use or switching, combining the two population. We used time‐conditional propensity scores (TCPS) and time‐stratified standardized morbidity ratio (SMR) weighting to adjust for confounding.ResultsWe identified 76 179 GLP‐1 RA new users, of which 12% were direct switchers (within 30 days) from SU. Among incident new users, GLP‐1 RA was protective against heart failure (adjHRSMR = 0.74 [0.69, 0.80]). Among switchers, GLP‐1 RA was not protective (adjHRSMR = 0.99 [0.83, 1.18]). Results in the combined population were largely driven by the incident new users, with GLP‐1 RA having a protective effect (adjHRSMR = 0.77 [0.72, 0.83]). Results using TCPS were consistent with those estimated using SMR weighting.ConclusionsWhen analyses were conducted only among incident new users, GLP‐1 RA had a protective effect. However, among switchers from SU to GLP‐1 RA, the effect estimates substantially shifted toward the null. Combining patients with varying treatment histories can result in poor confounding control and camouflage important heterogeneity.
Mehr als ein hochgenauer Zeitmesser
Authors: Thirolf Peter G. , Kraemer Sandro , Weitenberg Johannes 
Published: April 2024

ZusammenfassungDas Thoriumisomer 229mTh besitzt den mit zirka 8,3 eV niederenergetischsten angeregten Zustand aller bekannten Atomkerne, der zudem langlebig ist. Damit bietet 229Th die Möglichkeit, den Kernübergang zwischen Grundzustand und angeregtem Isomer zum Bau einer sogenannten Kernuhr einzusetzen. Sie wäre eine Ergänzung zu den bislang genauesten optischen Atomuhren mit dem Potenzial, diese an Genauigkeit zu übertreffen. Damit kann die Kernuhr als neuartiger Quantensensor für fundamentale physikalische Fragen dienen. Dazu zählen eine mögliche Zeitabhängigkeit von Naturkonstanten sowie die Suche nach ultraleichter Dunkler Materie. In den letzten Jahren gelangen hierzu bedeutende experimentelle Durchbrüche bei der Identifikation und Charakterisierung des Kernuhrübergangs. Gelingt mit einer laserspektroskopischen Anregung des Thoriumisomers noch ein weiterer Meilenstein, dann steht der ersten Kernuhr nichts mehr im Weg.
Registration of ‘CP 13‐1954’ sugarcane for Florida organic soils
Authors: Lesmes‐Vesga Ricardo A. , Zhao Duli , Sood Sushma , Momotaz Aliya , Davidson Wayne , Islam Md , Baltazar Miguel , Gordon Vanessa , McCord Per , Arbelo Orlando Coto , Sandhu Hardev 
Published: April 2024

Abstract‘CP 13‐1954’ (Reg. no. CV‐218, PI 704104) sugarcane (Saccharum spp. hybrid) was developed through cooperative research conducted by the USDA–ARS, the University of Florida, and the Florida Sugar Cane League, Inc., and released to growers for organic (muck) soils in Florida in June 2020. The parentage of CP 13‐1954 is ‘CP 85‐1491’ × Poly 09‐24. Based on the results of three crops (plant cane, first ratoon, and second ratoon) in field trials conducted at five locations, CP 13‐1954 had higher cane yield (16.2%), sucrose yield (15.6%), and economic index (29.7%) at P < .05 compared with the reference cultivar, ‘CP 96‐1252’. CP 13‐1954 stalks are usually taller than the reference cultivar, ‘CP 00‐1101’, with small‐to‐medium diameter, and exhibits resistance to ratoon stunting disease, Sugarcane mosaic virus strain E, brown rust, orange rust, and smut and moderate resistance to leaf scald on muck soils in Florida. CP 13‐1954 has Bru1 locus that provides resistance against brown rust. CP 13‐1954 showed moderate cold tolerance among all the tested cultivars.
Preoperative spinal education for lumbar spinal stenosis: A feasibility study
Authors: Eubanks James E. , Cupler Zachary A. , Gliedt Jordan A. , Bejarano Geronimo , Skolasky Richard L. , Smeets Rob J. E. M. , Schneider Michael J. 
Published: April 2024

AbstractIntroductionLumbar spinal stenosis (LSS) is a leading cause of chronic musculoskeletal pain among older adults. A common and costly intervention for the treatment of LSS is lumbar decompression with or without fusion (LSS surgery), which has mixed outcomes among patients. Prehabilitation is a strategy designed to optimize the consistency of positive surgical outcomes and promote patient self‐efficacy, while attempting to mitigate postoperative complications. No efforts have investigated the prehabilitation strategies specifically for patients undergoing LSS surgery.ObjectiveTo determine the feasibility of delivery and acceptability by participants of a novel prehabilitation intervention for patients undergoing LSS surgery.DesignFeasibility study.SettingOutpatient orthopedic clinic at an academic medical center.ParticipantsPatients at least 50 years of age, who were scheduled for LSS surgery between October 2020 and October 2021.InterventionPreOperative Spinal Education for Lumbar Spinal Stenosis (POSE‐LSS), is a novel multimodal, education‐focused, time‐efficient prehabilitation program for patients undergoing LSS surgery. Participants received the following: (1) Educational booklet and video; (2) In‐person physical therapy (PT) session; and (3) Telemedicine visit with a physiatrist.Main Outcome Measure(s)The primary outcomes of interest were feasibility and acceptability of intervention by participants. Key potential surgical outcomes were length of stay and discharge disposition.ResultsPOSE‐LSS was completed by all eligible participants enrolled (n = 15) indicating feasibility and acceptability. Potential effectiveness measures including length of stay and discharge disposition were positively associated with the POSE‐LSS intervention.ConclusionsThis study demonstrates that a novel prehabilitation intervention is feasible, acceptable, and appears positively associated with important short‐term measures of postoperative recovery that may impact the trajectory of patient care following LSS surgery.
Physiologically based pharmacokinetics modeling and transporter proteomics to predict systemic and local liver and muscle disposition of statins
Authors: Prieto Garcia Luna , Vildhede Anna , Nordell Pär , Ahlström Christine , Montaser Ahmed B. , Terasaki Tetsuya , Lennernäs Hans , Sjögren Erik 
Published: April 2024

AbstractStatins are used to reduce liver cholesterol levels but also carry a dose‐related risk of skeletal muscle toxicity. Concentrations of statins in plasma are often used to assess efficacy and safety, but because statins are substrates of membrane transporters that are present in diverse tissues, local differences in intracellular tissue concentrations cannot be ruled out. Thus, plasma concentration may not be an adequate indicator of efficacy and toxicity. To bridge this gap, we used physiologically based pharmacokinetic (PBPK) modeling to predict intracellular concentrations of statins. Quantitative data on transporter clearance were scaled from in vitro to in vivo conditions by integrating targeted proteomics and transporter kinetics data. The developed PBPK models, informed by proteomics, suggested that organic anion–transporting polypeptide 2B1 (OATP2B1) and multidrug resistance–associated protein 1 (MRP1) play a pivotal role in the distribution of statins in muscle. Using these PBPK models, we were able to predict the impact of alterations in transporter function due to genotype or drug–drug interactions on statin systemic concentrations and exposure in liver and muscle. These results underscore the potential of proteomics‐guided PBPK modeling to scale transporter clearance from in vitro data to real‐world implications. It is important to evaluate the role of drug transporters when predicting tissue exposure associated with on‐ and off‐target effects.
A computational investigation on the photochemistry of the popular spin‐trap agent N‐tert‐butyl‐α‐phenylnitrone (PBN) and thermal isomerization pathways of its photoproduct oxaziridine
Authors: Nikam Rajeshwari , Chattopadhyay Anjan 
Published: April 2024

AbstractComputational investigation on the low‐lying photo‐excited states of N‐tert‐butyl‐α‐phenylnitrone (PBN), a well‐known spin‐trap agent, has revealed its photo‐product (oxaziridine) formation channel. The S0‐S2 vertical excitation in PBN is subsequently followed by a non‐radiative decay pathway through S2/S1 and S0/S1 conical intersections (CIs) with CNO‐kinked structures, situated around 23 kcal/mol and 45 kcal/mol below the vertically excited S2 state, respectively. The reverse photo‐process of PBN formation involves photo‐excitation of oxaziridine to its S2 and S3 photo‐excited states. The forward photo‐isomerization leads to the trans‐oxaziridine with a backside CNO kink (trans‐OXB) while the reverse path studied by us, connects its front‐side CNO‐kinked analogue (trans‐OXF) with the PBN. Our search for the reverse thermal reaction paths from these two oxazirdines has led to their corresponding transition states, one at 35 kcal/mol and the other at 27 kcal/mol above trans‐OXF and trans‐OXB geometries, respectively. They lead to two different isomers (E and Z) of PBN which supports the reported nature of products from the trans‐oxaziridine in this thermal reaction. The inversion path of the chiral nitrogen atom of this N‐tert‐butyl‐oxaziridine (barrier 21 kcal/mol) has also been tracked. This reaction path has been compared with that of the N‐methyl (barrier 30 kcal/mol) and N‐acyl (barrier 10.5 kcal/mol) oxaziridine analogues.
A feature extraction framework for discovering pan‐cancer driver genes based on multi‐omics data
Authors: Xue Xiaomeng , Li Feng , Shang Junliang , Dai Lingyun , Ge Daohui , Ren Qianqian 
Published: April 2024

AbstractThe identification of tumor driver genes facilitates accurate cancer diagnosis and treatment, playing a key role in precision oncology, along with gene signaling, regulation, and their interaction with protein complexes. To tackle the challenge of distinguishing driver genes from a large number of genomic data, we construct a feature extraction framework for discovering pan‐cancer driver genes based on multi‐omics data (mutations, gene expression, copy number variants, and DNA methylation) combined with protein–protein interaction (PPI) networks. Using a network propagation algorithm, we mine functional information among nodes in the PPI network, focusing on genes with weak node information to represent specific cancer information. From these functional features, we extract distribution features of pan‐cancer data, pan‐cancer TOPSIS features of functional features using the ideal solution method, and SetExpan features of pan‐cancer data from the gene functional features, a method to rank pan‐cancer data based on the average inverse rank. These features represent the common message of pan‐cancer. Finally, we use the lightGBM classification algorithm for gene prediction. Experimental results show that our method outperforms existing methods in terms of the area under the check precision‐recall curve (AUPRC) and demonstrates better performance across different PPI networks. This indicates our framework’s effectiveness in predicting potential cancer genes, offering valuable insights for the diagnosis and treatment of tumors.