bluuebunny/crossref_metadata_2025_split huggingface dataset:
A secure routing protocol using trust‐based clustering and bionic intelligence algorithm for UAV‐assisted vehicular ad hoc networks
Authors: Babu Divya , Rao Terli Sankara 
Published: April 2024

AbstractVehicular ad hoc networks (VANET) are one of the advanced technologies for distributing dynamic vehicular information across the globe. The VANET is extensively used in many applications, especially road safety applications and intelligent transport systems (ITS). However, direct communication causes high bandwidth (BW) requirement and power consumption. Hence, this article introduces a clustering‐based mechanism to communicate vehicles with infrastructures. The cluster head (CH) is formed based on certain rules, and nodes or vehicles are combined. But, maintaining stability remains challenging for the traditional clustering mechanism. Moreover, the developed technique must examine the malicious and reduce the risk of fake information sharing. This research emphasizes a trust‐based clustering mechanism to select the CH based on a vehicle's knowledge, reputation, and experience. In addition to this, the backup head is also analyzed to promote trust in each vehicle. After clustering, secure routing is undertaken. For this, a bionic remora optimization algorithm (BROA) is proposed, and it considers the hop Count Field as well as the transmission range of vehicles to select the best routes. The performance measures such as end‐to‐end delay ratio, packet delivery ratio (PDR), throughput, trust values, energy consumption are analyzed and compared with existing techniques. In an experimental scenario, the proposed technique has an end‐to‐end delay of 3.8 ms, PDR of 98%, trust value of .4 and .06 for wormhole and Sybil attack, energy of and throughput of 78.7 kbps are attained. The outcome results prove the efficacy of a proposed method.
Considerations for the static and seismic design of pumped storage reservoirs in soft soils and seismic environments
Authors: Scheikl Manfred 
Published: April 2024

AbstractFor recent hydroelectric pumped storage projects, the construction of embankment dam structures on alluvial deposits consisting of exceptionally soft soil and in areas with high seismicity was required. This contribution shares experiences and challenges from the static and seismic design of embankment dam structures and ground treatment options. Finite element‐based static and seismic analyses using the Hardening Soil Small Strain model (HSS) showed that preconsolidation has clear benefits compared to stone columns for ground improvement purposes. Regardless of general advantages of surface sealing systems for frequent and rapid impoundment level changes, it was found that clay core design options perform very well under seismic loading conditions and even better than surface‐sealed structures. Seismic ground and structure response analyses involving soft soil considering shear strain‐dependent stiffness degradation revealed that deamplification is expected in contrast to the rule‐of‐thumb amplification approaches enshrined in many seismic design guidelines and codes. It was found that this effect increases with seismic magnitudes and that saturation of peak ground acceleration (PGA) takes place. This results in relatively moderate structure excitations even under significant dynamic excitation.
Endoscopic combined intrarenal surgery without ureteral access sheath performed for renal stone after Cohen reimplantation
Authors: Fukuda Tetsuo , Kawahata Ryo , Tajirika Hironao , Ishikawa Tatsuro , Matsuzaki Junichi 
Published: April 2024

IntroductionEndoscopic combined intrarenal surgery after anti‐reflux operation is rarely performed.Case presentationA 37‐year‐old female was referred to our hospital for treatment of left renal stone. She underwent anti‐reflux surgery (Cohen reimplantation) for left vesicoureteral reflux at the age of 10 years. Computed tomography revealed a 17 × 11 mm left inferior calyceal calculus. The patient received retrograde double‐J stent insertion under radiographic guidance and underwent ultra‐mini endoscopic combined intrarenal surgery without ureteral access sheath. The patient was discharged on postoperative Day 5 with no postoperative complications. Postoperative cystography showed no recurrence of vesicoureteral reflux. One month after the operation, kidney–ureter‐bladder radiography and computed tomography scan revealed no residual stones or hydronephrosis.ConclusionUltra‐mini endoscopic combined intrarenal surgery without ureteral access sheath is an effective method for treating renal stones after Cohen reimplantation.
A mountaineering strategy to excited states: Accurate vertical transition energies and benchmarks for substituted benzenes
Authors: Loos Pierre‐François , Jacquemin Denis 
Published: April 2024

AbstractIn an effort to expand the existing QUEST database of accurate vertical transition energies [Véril et al. WIREs Comput. Mol. Sci. 2021, 11, e1517], we have modeled more than 100 electronic excited states of different natures (local, charge‐transfer, Rydberg, singlet, and triplet) in a dozen of mono‐ and di‐substituted benzenes, including aniline, benzonitrile, chlorobenzene, fluorobenzene, nitrobenzene, among others. To establish theoretical best estimates for these vertical excitation energies, we have employed advanced coupled‐cluster methods including iterative triples (CC3 and CCSDT) and, when technically possible, iterative quadruples (CC4). These high‐level computational approaches provide a robust foundation for benchmarking a series of popular wave function methods. The evaluated methods all include contributions from double excitations (ADC(2), CC2, CCSD, CIS(D), EOM‐MP2, STEOM‐CCSD), along with schemes that also incorporate perturbative or iterative triples (ADC(3), CCSDR(3), CCSD(T)(a), and CCSDT‐3). This systematic exploration not only broadens the scope of the QUEST database but also facilitates a rigorous assessment of different theoretical approaches in the framework of a homologous chemical series, offering valuable insights into the accuracy and reliability of these methods in such cases. We found that both ADC(2.5) and CCSDT‐3 can provide very consistent estimates, whereas among less expensive methods SCS‐CC2 is likely the most effective approach. Importantly, we show that some lower order methods may offer reasonable trends in the homologous series while providing quite large average errors, and vice versa. Consequently, benchmarking the accuracy of a model based solely on absolute transition energies may not be meaningful for applications involving a series of similar compounds.
Do electrostatic interactions make a difference in physics‐based AutoDock4 scoring function?
Authors: Shaimardanov Arslan R. , Shulga Dmitry A. , Palyulin Vladimir A. 
Published: April 2024

AbstractPhysics‐based scoring function AutoDock4 is one of the most successfully applied tools in the area of structure‐based drug design. However, current scoring functions are still far from being perfect. In a recent work highlighting the strengths and deficiencies of current scoring functions, we discovered that the residual error of ΔGbind predictions made by AutoDock4 is highly correlated to the presence of formally charged fragments in a ligand. In this work, we study how the use of the high‐quality atomic charges, applied for contemporary force fields calculation, affects the quality of the experimental ΔGbind prediction by means of AutoDock4. We initially expected that the previously found discrepancy could be attributed to the Gasteiger charges used within AutoDock4. We show that AutoDock4 is, surprisingly, not sensitive to the charges used, and the use of QC‐derived atomic charges does not lead to any statistical improvements. We also briefly discuss the role of the explicit empirical hydrogen bond term along with the electrostatic term.
Magnetic resonance elastography for the prediction of hepatocellular carcinoma in chronic hepatitis B
Authors: Tamaki Nobuharu , Higuchi Mayu , Keitoku Taisei , Yamazaki Yudai , Uchihara Naoki , Suzuki Keito , Tanaka Yuki , Miyamoto Haruka , Yamada Michiko , Okada Risa , Takaura Kenta , Tanaka Shohei , Maeyashiki Chiaki , Yasui Yutaka , Tsuchiya Kaoru , Nakanishi Hiroyuki , Kanto Tatsuya , Kurosaki Masayuki , Izumi Namiki 
Published: April 2024

AbstractBackground and AimMagnetic resonance elastography (MRE) is used for the evaluation of liver fibrosis; however, it remains unclear whether MRE‐based liver stiffness is associated with hepatocellular carcinoma (HCC) development, particularly in patients with chronic hepatitis B.MethodsA total of 504 patients with chronic hepatitis B receiving MRE were enrolled. The primary endpoint was the association between MRE‐based liver stiffness and HCC.ResultsIn a cross‐sectional analysis at the time of MRE measurement, the median (interquartile range) liver stiffness values in patients with presence or history of HCC and those without HCC were 3.68 (2.89–4.96) and 2.60 (2.22–3.45) kPa, respectively, and liver stiffness was significantly higher in patients with presence or history of HCC than in those without HCC (P < 0.001). In a longitudinal analysis of patients without HCC, the 1‐, 3‐, and 5‐year cumulative incidence of HCC in patients with liver stiffness ≥3.6 kPa and those with liver stiffness <3.6 kPa were 3.8%, 7.0%, and 22.9%, and 0%, 0.9%, and 1.5%, respectively (P < 0.001). In the multivariable analysis, MRE‐based liver stiffness (per 1 kPa) or liver stiffness ≥3.6 kPa was an independent factor for HCC development with an adjusted hazard ratio (aHR) of 1.61 (95% confidence interval [CI], 1.3–2.0) or aHR of 8.22 (95% CI, 2.1–31).ConclusionMRE‐based liver stiffness is associated with HCC risk in patients with chronic hepatitis B and may be used for the early prediction of HCC development and determination of indications for treatment.
Practical Application of Multivendor MRI‐Based R2* Mapping for Liver Iron Quantification at 1.5 T and 3.0 T
Authors: Simchick Gregory , Zhao Ruiyang , Yuan Qing , Ghasabeh Mounes Aliyari , Ruschke Stefan , Karampinos Dimitrios C. , Harris David T. , do Vale Souza Raphael , Mattison Ryan J. , Jeng Michael R. , Pedrosa Ivan , Kamel Ihab R. , Vasanawala Shreyas , Yokoo Takeshi , Reeder Scott B. , Hernando Diego 
Published: April 2024

BackgroundRecent multicenter, multivendor MRI‐based R2* vs. liver iron concentration (LIC) calibrations (i.e., MCMV calibrations) may facilitate broad clinical dissemination of R2*‐based LIC quantification. However, these calibrations are based on a centralized offline R2* reconstruction, and their applicability with vendor‐provided R2* maps is unclear.PurposeTo determine R2* ranges of agreement between the centralized and three MRI vendors' R2* reconstructions.Study TypeProspective.SubjectsTwo hundred and seven subjects (mean age 37.6 ± 19.6 years; 117 male) with known or suspected iron overload from four academic medical centers.Field Strength/SequenceStandardized multiecho spoiled gradient echo sequence at 1.5 T and 3.0 T for R2* mapping and a multiple spin‐echo sequence at 1.5 T for LIC quantification. MRI vendors: GE Healthcare, Philips Healthcare, and Siemens Healthineers.AssessmentR2* maps were generated using both the centralized and vendor reconstructions, and ranges of agreement were determined. R2*‐LIC linear calibrations were determined for each site, field strength, and reconstruction and compared with the MCMV calibrations.Statistical TestsBland–Altman analysis to determine ranges of agreement. Linear regression, analysis of covariance F tests, and Tukey's multiple comparison testing to assess reproducibility of calibrations across sites and vendors. A P value <0.05 was considered significant.ResultsThe upper limits of R2* ranges of agreement were approximately 500, 375, and 330 s−1 for GE, Philips, and Siemens reconstructions, respectively, at 1.5 T and approximately 700 and 800 s−1 for GE and Philips, respectively, at 3.0 T. Within the R2* ranges of agreement, vendor R2*‐LIC calibrations demonstrated high reproducibility (no significant differences between slopes or intercepts; P ≥ 0.06) and agreed with the MCMV calibrations (overlapping 95% confidence intervals).Data ConclusionBased on the determined upper limits, R2* measurements obtained from vendor‐provided R2* maps may be reliably and practically used to quantify LIC less than approximately 8–13 mg/g using the MCMV calibrations and similar acquisition parameters as this study.Evidence Level1Technical EfficacyStage 3
Oxidation of Supported Amines for CO2 Direct Air Capture: Assessing Impact on Physical Properties and Mobility via NMR Relaxometry
Authors: Hunter‐Sellars Elwin , Kerr Julia D. , Eshelman Hannah V. , Pollard Zoe A. , Varni Anthony J. , Sakwa‐Novak Miles A. , Marple Maxwell A. T. , Pang Simon H. 
Published: April 2024

AbstractAminopolymer‐based adsorbents are commonly investigated for CO2 direct air capture (DAC). In the presence of high temperature and oxygen, which can occur during adsorption‐regeneration cycles, oxidative degradation can significantly reduce adsorbent lifetime. Degradation is typically measured using adsorption performance metrics or chemical characterization. This work demonstrates that the polymer's physical properties, as measured via nuclear magnetic resonance (NMR) relaxometry and differential scanning calorimetry, can be used to quantitatively track degradation. The extent of oxidation of an alumina‐poly(ethylenimine) sample, measured by reductions in amine efficiency (A.E.), is correlated with proton T2 relaxation times. This work hypothesizes that T2 relaxation accurately tracks oxidative degradation in aminopolymers due to the reduction in polymer mobility occurring during the oxidation process. The ability to use NMR relaxometry as a noninvasive technique to probe degradation is demonstrated on a 1‐inch square‐channel monolith adsorbent exposed to actual DAC service conditions. This highlights the potential for relaxometry to evaluate the state of the adsorbent accurately and rapidly compared to typical analytical methods.
Fabrication of Uniform Anionic Polymeric Nanoplatelets as Building Blocks for Constructing Conductive Hydrogels with Enhancing Conductive and Mechanical Properties
Authors: Li Zehua , Guo Hui , Jin Xuhui 
Published: April 2024

AbstractConductive hydrogels play a crucial role in advancing technologies like implantable bioelectronics and wearable electronic devices, owing to their favorable conductivity and appropriate mechanical properties. Here, a novel bottom‐up approach is reported for crafting conductive nanocomposite hydrogels to achieve enhancing conductive and mechanical properties. In this approach, new poly(ɛ‐caprolactone)‐based block copolymers with sulfonic groups are first synthesized and self‐assembled into uniform polyanionic nanoplatelets. Subsequently, these negatively charged nanoplatelets, with sulfonic groups on the surface, are employed as nanoadditives for the polymerization of 3,4‐ethylenedioxythiophene (EDOT), resulting in poly(3,4‐ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS)/nanoplatelet complex with 3.8 times enhanced electrical conductivity compared with their counterparts prepared using block copolymers (BCPs). Blending the (PEDOT:PSS)/nanoplatelet complex with calcium alginate, nanocomposite hydrogels are successfully prepared. In comparison with hydrogels with (PEDOT:PSS)/BCP complexes prepared by a top‐down method, the nanocomposite hydrogels are found to show twice as strong mechanical strength and 1.6 times higher conductivity. This work provides valuable insights into the bottom‐up construction of conductive hydrogels for bioelectronics using well‐controlled polymeric nanoplatelets.
Mineral crude drug mirabilite (Mangxiao) inhibits the occurrence of colorectal cancer by regulating the Lactobacillus–bile acid–intestinal farnesoid X receptor axis based on multiomics integration analysis
Authors: Zhou Xiaohang , Sun Hui , Ren Junling , Yan Guangli , Yang Le , Zhang Honglian , Lu Haitao , Li Xinghua , Makino Toshiaki , Yin Fengting , Li Jing , Wang Xijun 
Published: April 2024

AbstractMineral crude drug has revolutionized the treatment landscape in precision oncology niche that leads to the improvement in therapeutic efficiency on various tumor subtypes. Mangxiao (MX), a mineral crude drug in traditional Chinese medicine, has been used for treating gastrointestinal diseases for thousands of years. However, the action mechanisms are still ambiguous. Here, we attempt to explore inhibitory roles and associated pharmacological mechanisms of MX upon colorectal cancer (CRC) in APCMin/+ male mice by integrating metabolomics, 16S rDNA sequencing analyses, and metagenomic‐based microbiota analysis. We found that MX can significantly inhibit the occurrence of CRC through the regulation of the dysregulated gut microbe metabolism. Furthermore, the correlation analysis of metabolomes and 16S rDNA revealed that MX could restore the disorders of gut microbes by specifically enriching the abundance of Lactobacilli to improve bile acid metabolism, which further activated the farnesoid X receptor (FXR) in CRC mice, then the improvement of gut dysbiosis could inhibit the development of CRC. Collectively, our effort confirmed MX has the capacity to intervene the development of CRC and further discovered that it targets Lactobacillus–bile acid–intestinal FXR axis, which can be regarded as a candidate medicine for future drug discovery and development against CRC.
Early Screening for the Parkinson Variant of Multiple System Atrophy: A 6‐Item Score
Authors: Fanciulli Alessandra , Stankovic Iva , Avraham Omer , Jecmenica Lukic Milica , Ezra Adi , Leys Fabian , Goebel Georg , Krismer Florian , Petrovic Igor , Svetel Marina , Seppi Klaus , Kostic Vladimir , Giladi Nir , Poewe Werner , Wenning Gregor K. , Gurevich Tanya 
Published: April 2024

AbstractBackgroundA 4‐item score based on ≥2 features out of orthostatic hypotension, overactive bladder, urinary retention and postural instability was previously shown to early distinguish the Parkinson‐variant of multiple system atrophy (MSA‐P) from Parkinson's disease (PD) with 78% sensitivity and 86% specificity.ObjectivesTo replicate and improve the 4‐item MSA‐P score.MethodsWe retrospectively studied 161 patients with early parkinsonism [ie, ≤2 years disease duration or no postural instability, aged 64 (57; 68) years, 44% females] and a diagnosis of clinically established MSA‐P (n = 38) or PD (n = 123) after ≥24 months follow‐up.ResultsThe 4‐item MSA‐P score had a 92% sensitivity and 78% specificity for a final MSA‐P diagnosis. By including dopaminergic responsiveness and postural deformities into a 6‐item score (range: 0–6), reaching ≥3 points at early disease identified MSA‐P patients with 89% sensitivity and 98% specificity.ConclusionsThe 6‐item MSA‐P score is a cost‐effective tool to pinpoint individuals with early‐stage MSA‐P.
In vitro effects of β3‐adrenoceptor agonist mirabegron on the human ureter
Authors: Artykov Meylis , Ozcelebi Esin , Sara Mehmet Yildirim , Gudeloglu Ahmet , Iskit Alper Bektas , Aki Fazil Tuncay 
Published: April 2024

AbstractIntroductionThis study aimed to investigate the effect of mirabegron, a β3‐adrenoceptor agonist with widespread clinical use for treating overactive bladder disease, on isolated healthy human ureter strips.Materials and MethodsThis was a prospective study employing a series of in vitro organ bath experiments using ureteral tissues of kidney grafts from 10 healthy donors. The ureteral strips were subjected to cumulative mirabegron concentrations (10−9–10−4.5 M). Effects on frequency or amplitude of spontaneous, 10 mM KCl‐ or EFS‐induced contractions were evaluated.ResultsMirabegron decreased the frequency of spontaneous ureteric contraction in a concentration‐dependent manner. Statistically significant decrease in the frequency of spontaneous contraction was observed at 10−8–10−4.5 M. In 10 mM KCl medium, statistically significant change in frequency was observed at 10−9–10−4.5 M. Statistically significant decrease in the amplitudes of spontaneous contraction was observed at 10−7–10−4.5 M. In a 10 mM KCl medium, statistically significant change in amplitudes was observed at 10−8–10−4.5 M.ConclusionsMirabegron reduced the amplitude and frequency of human ureter activity in in vitro organ bath studies. This effect was achieved in a dose‐dependent manner on isolated tissue strips. Although monotherapy with mirabegron remains uncertain, this study has the potential to elucidate the mechanism underlying the effectiveness of mirabegron, particularly in combination therapy for ureteral stones.
Biomechanical behavior of three‐dimensional bioactive composite constructs on extraction socket remodeling
Authors: Ramadoss Ramya , R.G Sangeetha , S Krithika , S Shahil Kumar , G Naveen Kumar , Rajashree P. , Krishnan Rajkumar 
Published: April 2024

AbstractObjectivesLoss of mechanostimulation leads to dimensional alterations in the extraction socket. The study aims to use three‐dimensional spatial stimulation of the socket wall to assess if bioactive composite constructs could generate mechanostimulative activity.MethodsAnalysis of the biomechanical behavior of the three‐dimensional bioactive composite constructs was done in a model created using ANSYS, and mechanical properties were assessed using finite element analysis.ResultsTotal deformation on the mandible was higher in alginate bioglass and chitosan alginate bioglass than gelatin. Bioglass composites were capable of generating a higher strain on the surrounding alveolar bone than gelatin. The maximum principal elastic strain and equivalent (von Mises) stress of chitosan and bioglass were higher than those of gelatin.SignificanceDifferential stress/strain generated on the alveolar bone with a three‐dimensional approach from early stages of remodeling will have a profound effect on the reduction of alveolar bone loss.