bluuebunny/crossref_metadata_2025_split huggingface dataset:
Blood flow analyses by intraoperative transit‐time flow measurements of free flaps for head and neck reconstructions: A prospective single‐center study
Authors: Ritschl Lucas M. , Niu Minli , Wolff Constantin T. , Schwarz Matthias , Roth Maximilian , Wolff Klaus‐Dietrich , Fichter Andreas M. 
Published: October 2022

AbstractBackgroundThe behavior of blood flow changes within free flaps following microvascular anastomosis is not well described in the literature. The aim of this study was to determine the immediate blood flow behavior of different free flaps as reference values for various clinical applications.MethodsIntraoperative transit‐time flow measurements were performed on patients receiving free flap transfer in the head and neck area comprising radial forearm flaps (RFF), peroneal artery perforator flaps (PAP), anterolateral thigh flaps (ALT), vastus lateralis flaps (VLF), parascapular flaps (PSF), latissimus dorsi flaps (LDF), fibula free flaps (FFF), deep circumflex iliac artery flaps (DCIA), and scapular flaps (SF). In accordance with a structured protocol, measurements took place at the pedicle directly before flap harvesting and at the recipient vessels 1 h after flap transfer. Heart rate, transplant weight, and other patient characteristics were recorded and analyzed.ResultsA total of 129 were enrolled, comprising 66 RFF, 8 ALT, 6 PAP, 11 VLF, 3 PSF, 2 LDF, 24 FFF, 7 DCIA, and 2 SF. In most of the transplant groups, arterial perfusion increased after anastomosis at the recipient site. The arterial pulsatility index developed indirectly proportionally to arterial blood flow, whereas venous blood drainage did not show any statistically significant changes. Muscle flaps had the highest arterial perfusion before flap transfer. Composite transplants with hard and soft tissue presented the greatest increase in arterial perfusion. The lowest arterial blood flow after anastomosis was measured in PAP and RFF. In contrast, RFF and PAP presented the highest arterial perfusion per 100 g transplant weight.ConclusionsArterial perfusion changed, whereas venous blood flow did not show any statistically significant variations in any transplant group. Perfusion of free flaps does not only depend on the recipient vessel and the recipient bed, but also on flap‐specific anatomy and physiology.
The use of vertical postero‐medial thigh flap as lymphatic flow‐through flap for upper thigh defect reconstruction and lymphatic sequelae prevention in sarcoma surgery: A case report
Authors: Calabrese Sara , Meroni Matteo , Scaglioni Mario F. 
Published: October 2022

AbstractAmong the various histologic subpopulations of soft tissue sarcomas, undifferentiated pleomorphic sarcoma (UPS) is one of the most common subtypes in the adult population. Radical surgery remains the primary treatment for UPS, associated with postsurgical radiotherapy or chemotherapy. We herein report the case of a 65‐year‐old man presenting a recurrent UPS in his right upper thigh region. The patient received radical resection of the tumor and the remaining defect measured ~22 cm × 18 cm. A soft tissue functional reconstruction with lymphatic‐flow‐through pedicled postero‐medial thigh flap (PMT) was planned. A 24 cm × 16 cm flap was harvested in vertical fashion (vPMT), carefully preserving a superficial vein for the following lymphovenous anastomosis (LVA) at recipient site. The flap was then rotated and transferred to the defect area through a tunnel under the adductor longus muscle, and LVA was then performed between flap's additional venous pedicle and a nearby leaking lymphatic vessel. The postoperative course was uneventful and at 12 months follow‐up no complications were encountered. No signs of lymphedema were reported. When dealing with the groin and upper thigh area, which is notably rich in lymphatic tissue, the possibility of prophylactically re‐route lymphatic fluid into the venous system by means of microsurgical anastomosis, lays in the thrilling possibility to prevent secondary lymphedema, instead of curing it. With the described technique, we achieved optimal functional and esthetic outcomes setting at zero both donor and recipient sites morbidity.
A novel modified Kock–Snowflake fractal MIMO antenna for 4G/5G UWB communication gadgets
Authors: Sohi Arashpreet K. , Kaur Amanpreet 
Published: October 2022

AbstractA dual‐port, tapered‐fed fractal antenna with a partial ground is proposed for effective implementation in portable ultra‐wideband–multiple‐input multiple‐output devices. The array is modeled on a 41 × 71 × 1.57 mm3 dielectric FR4 substrate. Each circular radiator defected with a modified Koch–Snowflake fractal (4th iteration) provides 46.7% size miniaturization. The array yields 14.7 GHz bandwidth (3.3–18 GHz, 138%) by defecting the partial ground and offsetting the tapered feedlines. By embedding an H‐shaped decoupler and plus‐shaped slots in the ground, significant isolation (S21/S12 ≤ −16 dB) is accomplished. Various diversity metrics are investigated and are found to follow their permissible standards. To justify the simulated results, the fabricated array is tested where a favorable match between the results makes it a suitable candidate for high data‐rate wireless applications.
Application of a coupled hydro‐mechanical interface model in simulating uplifting problems
Authors: Peng Maozhu , Tian Yinghui , Gaudin Christophe , Zhang Lihai , Sheng Daichao 
Published: October 2022

AbstractThis paper presents the detailed formulation of a coupled hydro‐mechanical structure‐soil interface and demonstrates its application in simulating uplifting problems. This interface features real‐time prediction of the pore pressure generation and structure‐soil separation, and thus rate dependency and ‘breakaway’ can be modeled without user intervention. Constitutive relations of this interface were derived by considering the coupling between soil skeleton and fluid along the interface. A complete finite element formulation and numerical implementation of the interface is provided based on an eight‐node element. The performance of this interface is demonstrated by simulating lifting a surface footing at varying rates (spanning across undrained, partially drained and drained conditions), compared with existing theoretical solutions, numerical results and experimental data. The good agreement achieved indicates that this interface is capable of modelling uplift at varying rates, which is an extremely challenging topic in offshore engineering. Sensitivity studies were conducted to investigate the parameters affecting uplifting behaviour. A unified backbone curve was established correspondingly, which is shown to be different from existing studies in compression, due to the difference in the mechanism between the two cases.
A modified walk‐on‐sphere method for high dimensional fractional Poisson equation
Authors: Jiao Caiyu , Li Changpin , Wang Hexiang , Zhang Zhongqiang 
Published: October 2022

AbstractWe develop walk‐on‐sphere method for fractional Poisson equations with Dirichilet boundary conditions in high dimensions. The walk‐on‐sphere method is based on probabilistic representation of the fractional Poisson equation. We propose efficient quadrature rules to evaluate integral representation in the ball and apply rejection sampling method to drawing from the computed probabilities in general domains. Moreover, we provide an estimate of the number of walks in the mean value for the method when the domain is a ball. We show that the number of walks is increasing in the fractional order and the distance of the starting point to the origin. We also give the relationship between the Green function of fractional Laplace equation and that of the classical Laplace equation. Numerical results for problems in 2–10 dimensions verify our theory and the efficiency of the modified walk‐on‐sphere method.
Preparation of MOF‐Zn@ZnO composite and its properties in SBR
Authors: Lei Zhiqiang , Wu Yankang , Tang Liping , Chen Jian 
Published: October 2022

AbstractThe synthesis and application of metal–organic skeleton materials (MOFs) have attracted much attention in recent years due to their special structures and properties. In order to expand the application field of MOFs materials, this paper designed experiments to explore the application prospect of MOFs materials in the field of rubber. In this study, zinc acetate dihydrate was used as the central metal ion source, terephthalic acid as organic ligand and deionized water as solvent. MOF‐Zn was prepared by hydrothermal method and ZnO nanoparticles were grown on the surface of MOF‐Zn in situ to obtain MOF‐Zn@ZnO. At the same time, the composite material is filled into the SBR by mechanical blending method. The experimental results show that ZnO nanoparticles adsorb on the MOF‐Zn surface and have strong interfacial interaction with MOF‐Zn. Moreover, MOF‐Zn@ZnO was uniformly dispersed in the rubber matrix, which improved the cross‐linking effect of the composite material and promoted the vulcanization of rubber. Compared with ZnOC/SBR composites, the modulus and tensile strength of MOF‐Zn@ZnO/SBR composites at 100%, 200%, and 300% elongation are increased by 33.6%, 38.2%, 30.8%, and 16.8%, respectively. The excellent performance of MOF‐Zn@ZnO/SBR composite is due to the inhibition of agglomeration of ZnO nanoparticles by MOF‐Zn, which can be used as an effective vulcanization activator in rubber. This study provides a simple synthesis route for the preparation of ZnO nanofillers for high performance SBR composites.
The influence of hole quality on mechanical behavior and strain distribution of open‐hole CFRP laminates subject to different machining processes
Authors: Li Maojun , Jiang Xiaoyang , Su Ting 
Published: October 2022

AbstractMachining process is generally required for cutting composite material of structural components prior to final assembly in aerospace industry. This study aimed to investigate surface quality and mechanical behavior of open‐hole composite laminates following different machining processes including abrasive waterjet cutting, high power fiber laser machining, conventional drilling and ultraviolet laser machining. Hole quality was quantified for further understanding the correlation between surface damage and mechanical behavior. Experimental results demonstrated that the hole geometrical accuracy and mechanical property were highly dependent on the machining methods. Digital image correlation technique was implemented to capture the strain distribution and strain evolution around open holes during tensile loading. Machining methods exhibited significant impact on , and strain levels around hole edges, while limited influence on strain distribution patterns. and concentrated in the regions consisting of fibers perpendicular to and along the loading direction respectively, and shear strain featured with X shape around hole edge.
Data Fusion‐based Discovery (DAFdiscovery) pipeline to aid compound annotation and bioactive compound discovery across diverse spectral data
Authors: Borges Ricardo Moreira , das Neves Costa Fernanda , Chagas Fernanda O. , Teixeira Andrew Magno , Yoon Jaewon , Weiss Márcio Barczyszyn , Crnkovic Camila Manoel , Pilon Alan Cesar , Garrido Bruno C. , Betancur Luz Adriana , Forero Abel M. , Castellanos Leonardo , Ramos Freddy A. , Pupo Mônica T. , Kuhn Stefan 
Published: October 2022

AbstractIntroductionData Fusion‐based Discovery (DAFdiscovery) is a pipeline designed to help users combine mass spectrometry (MS), nuclear magnetic resonance (NMR), and bioactivity data in a notebook‐based application to accelerate annotation and discovery of bioactive compounds. It applies Statistical Total Correlation Spectroscopy (STOCSY) and Statistical HeteroSpectroscopy (SHY) calculation in their data using an easy‐to‐follow Jupyter Notebook.MethodDifferent case studies are presented for benchmarking, and the resultant outputs are shown to aid natural products identification and discovery. The goal is to encourage users to acquire MS and NMR data from their samples (in replicated samples and fractions when available) and to explore their variance to highlight MS features, NMR peaks, and bioactivity that might be correlated to accelerated bioactive compound discovery or for annotation–identification studies.ResultsDifferent applications were demonstrated using data from different research groups, and it was shown that DAFdiscovery reproduced their findings using a more straightforward method.ConclusionDAFdiscovery has proven to be a simple‐to‐use method for different situations where data from different sources are required to be analyzed together.
Spin‐spray‐assisted layer‐by‐layer assembly of thick polymer films with self‐healing, UV‐protection, and anti‐fog properties
Authors: Kashem Md Nayeem Hasan , Liu Xu , Ding Zhenya , Li Wei 
Published: October 2022

AbstractLayer‐by‐layer (LbL) deposition of oppositely charged polyelectrolytes has been widely used to make responsive and multifunctional smart films. Herein, a high‐performance and multifunctional LbL film was fabricated by using a spin‐spray‐assisted (SSA‐LbL) assembly method with poly(diallyldimethylammonium chloride) (PDDA) and poly(acrylic acid) (PAA). The SSA‐LbL method was found to be more efficient and time‐saver in making a homogeneous thick film in tens of micrometers, compared to the conventional immersive assembly method which makes thin films in the nanometer range. When scratches occur, the film shows a quick and durable self‐healing capability due to the dynamic movement of the flexible polyelectrolyte complex chains at the edges of the scratches. An effective UV‐block performance was incorporated into the film by using the graphene oxide (GO) and titanium dioxide (TiO2) nanoparticles as UV‐blocking additives. Due to the hydrophilic feature of PDDA/PAA molecules, the film also showed the anti‐fog property in different environmental conditions. The effect of the concentration of GO and TiO2 nanoparticles on self‐healing and UV‐protection properties were investigated. Also, the optimum range of concentration of GO and TiO2 nanoparticles in polyelectrolyte solutions was determined to fabricate the film with the combined features of self‐healable, UV‐blocking, and anti‐fog.
Nitrocellulose‐Based Green‐Light Illuminants: A Study of Barium Nitrate Particle Size on Spectral Performance
Authors: Kotter Lance N. , Groven Lori J. 
Published: October 2022

AbstractWhile a typical military flare includes a metal fuel (aluminum, magnesium, boron, etc.) to increase combustion temperature and therefore spectral performance, the replacement of these fuels to reduce smoke (non‐light emitting species) is still desired. Nitrocellulose (NC) is known to be a “smokeless” propellant and, in this work, used solely as the fuel component in the pyrotechnic flare composition. Two levels of nitration, 12.2% N and 13.4% N content, are studied and while the influence of nitration content is shown, this work focuses on the role of barium nitrate (Ba(NO3)2) particle size. For formulations with 13.4% N content, reducing the Ba(NO3)2 particle size fraction from 250–300 μm to ≤25 μm results in the dominant wavelength being reduced from 569 nm to 558 nm. Combustion products collected from formulations using the 250–300 μm Ba(NO3)2, were characterized and indicated barium carbonate (BaCO3) as the major condensed phase product. This indicates that the formation of barium oxide (BaO) from the slow decomposition of Ba(NO3)2, coupled with the release of CO2 from NC, likely results in the following reaction: BaO+CO2→BaCO3. While unexpected, this implies that controlling early chemistry during combustion may allow significant improvements in spectral performance by inhibiting non‐light emitting specie formation.
Identification of natural small molecule modulators of MurB from Salmonella enterica serovar Typhi Ty2 strain using computational and biophysical approaches
Authors: Haque Md. Anzarul , Singh Mandeep , Tripathi Manish Kumar , Ethayathulla Abdul Samath , Kaur Punit 
Published: October 2022

AbstractThe increase of antibiotic‐resistant bacterial pathogens has created challenges in treatment and warranted the design of antibiotics against comparatively less exploited targets. The peptidoglycan (PG) biosynthesis delineates unique pathways for the design and development of a novel class of drugs. Mur ligases are an essential component of bacterial cell wall synthesis that play a pivotal role in PG biosynthesis to maintain internal osmotic pressure and cell shape. Inhibition of these enzymes can interrupt bacterial replication and hence, form attractive targets for drug discovery. In the present work, we focused on the PG biosynthesis pathway enzyme, UDP‐N‐acetylpyruvylglucosamine reductase, from Salmonella enterica serovar Typhi (stMurB). Biophysical characterization of purified StMurB was performed to gauge the molecular interactions and estimate thermodynamic stability for determination of attributes for possible therapeutic intervention. The thermal melting profile of MurB was monitored by circular dichroism and validated through differential scanning calorimetry experiment. Frequently used chemical denaturants, GdmCl and urea, were employed to study the chemical‐induced denaturation of stMurB. In the search for natural compound‐based inhibitors, against this important drug target, an in silico virtual screening based investigation was conducted with modeled stMurB structure. The three top hits (quercetin, berberine, and scopoletin) returned were validated for complex stability through molecular dynamics simulation. Further, fluorescence binding studies were undertaken for the selected natural compounds with stMurB alone and with NADPH bound form. The compounds scopoletin and berberine, displayed lesser binding to stMurB whereas quercetin exhibited stronger binding affinity than NADPH. This study suggests that quercetin can be evolved as an inhibitor of stMurB enzyme.
Application of physiologically‐based pharmacokinetic model approach to predict pharmacokinetics and drug–drug interaction of rivaroxaban: A case study of rivaroxaban and carbamazepine
Authors: Ngo Lien Thi , Yang Sung‐yoon , Shin Sooyoung , Cao Duc Tuan , Van Nguyen Hung , Jung Sangkeun , Lee Jae‐Young , Lee Jong‐Hwa , Yun Hwi‐yeol , Chae Jung‐woo 
Published: October 2022

AbstractRivaroxaban (RIV; Xarelto; Janssen Pharmaceuticals, Beerse, Belgium) is one of the direct oral anticoagulants. The drug is a strong substrate of cytochrome P450 (CYP) enzymes and efflux transporters. This study aimed to develop a physiologically‐based pharmacokinetic (PBPK) model for RIV. It contained three hepatic metabolizing enzyme reactions (CYP3A4, CYP2J2, and CYP‐independent) and two active transporter‐mediated transfers (P‐gp and BCRP transporters). To illustrate the performance of the developed RIV PBPK model on the prediction of drug–drug interactions (DDIs), carbamazepine (CBZ) was selected as a case study due to the high DDI potential. Our study results showed that CBZ significantly reduces the exposure of RIV. The area under the concentration‐time curve from zero to infinity (AUCinf) of RIV was reduced by 35.2% (from 2221.3 to 1438.7 ng*h/ml) and by 25.5% (from 2467.3 to 1838.4 ng*h/ml) after the first dose and at the steady‐state, respectively, whereas the maximum plasma concentration (Cmax) of RIV was reduced by 37.7% (from 266.3 to 166.1 ng/ml) and 36.4% (from 282.3 to 179.5 ng/ml), respectively. The developed PBPK model of RIV could be paired with PBPK models of other interested perpetrators to predict DDI profiles. Further studies investigating the extent of DDI between CBZ and RIV should be conducted in humans to gain a full understanding of their safety and effects.
A meta‐analytic framework to adjust for bias in external control studies
Authors: Incerti Devin , Bretscher Michael T. , Lin Ray , Harbron Chris 
Published: October 2022

AbstractWhile randomized controlled trials (RCTs) are the gold standard for estimating treatment effects in medical research, there is increasing use of and interest in using real‐world data for drug development. One such use case is the construction of external control arms for evaluation of efficacy in single‐arm trials, particularly in cases where randomization is either infeasible or unethical. However, it is well known that treated patients in non‐randomized studies may not be comparable to control patients—on either measured or unmeasured variables—and that the underlying population differences between the two groups may result in biased treatment effect estimates as well as increased variability in estimation. To address these challenges for analyses of time‐to‐event outcomes, we developed a meta‐analytic framework that uses historical reference studies to adjust a log hazard ratio estimate in a new external control study for its additional bias and variability. The set of historical studies is formed by constructing external control arms for historical RCTs, and a meta‐analysis compares the trial controls to the external control arms. Importantly, a prospective external control study can be performed independently of the meta‐analysis using standard causal inference techniques for observational data. We illustrate our approach with a simulation study and an empirical example based on reference studies for advanced non‐small cell lung cancer. In our empirical analysis, external control patients had lower survival than trial controls (hazard ratio: 0.907), but our methodology is able to correct for this bias. An implementation of our approach is available in the R packageecmeta.
Metamodel‐based optimization of shift planning in high‐bay warehouse operations
Authors: Kirchhoff Dominik , Kirberg Marc , Kuhnt Sonja , Clausen Uwe 
Published: October 2022

AbstractGaussian process (GP) models of time‐consuming computer simulations are nowadays widely used within metamodel‐based optimization. In recent years, GP models with mixed inputs have been proposed to handle both numerical and categorical inputs. Using a case study of a high‐bay warehouse, we demonstrate the use of GP models with low‐rank correlation (LRC) kernels in the context of efficient global optimization (EGO). As is common in many logistics applications, the high‐bay warehouse is modeled with a discrete‐event simulation model. Input variables include, for example, the choice between different task assignment strategies. A shift scheduling problem is considered in which personnel and energy costs as well as the delay of tasks are to be minimized at the same time. Evaluations of an initial experimental design provide a first approximation of the Pareto front, which we manage to extend substantially within only 15 iterations of identifying new points using the expected hypervolume improvement (EHI) and the metric selection (SMS) criteria. We penalize the criteria in the last five iterations using the known total costs of proposed points to guide the search towards a more desired area. The resulting Pareto front approximation provides a selection of shift plans that have different characteristics. This enables decision makers in practice to choose a shift plan with desirable features.