bluuebunny/crossref_metadata_2025_split huggingface dataset:
Impact of perioperative vasopressors on lower extremity free flap reconstruction
Authors: Hahn Hyung Min , Kim Tae Wook , Thai Duy Quang , Lee Il Jae 
Published: February 2022

AbstractPurposeFree tissue transfer is a treatment option for soft tissue defects of the lower extremity. For a successful outcome, it is necessary to evaluate the vessel condition and blood flow patency. The administration of a vasopressor could impact the survival rate of free tissue transfer; however, there is a lack of studies on vasopressor use and lower extremity reconstruction. This study aimed to investigate the relationship between the use of a vasopressor and outcomes of free tissue transfer in lower extremity reconstruction.MethodsThis retrospective, observational study was conducted between March 2010 and February 2019. Data were divided into intraoperative and postoperative variables according to the administration time. Data on patient demographics, risk factors, details of reconstruction, flap outcomes, and duration of intensive care unit (ICU) stay were obtained. Binary logistic regression models were computed to determine the association between flap outcome and vasopressor administration.ResultsOf the 338 patients, 186 were administered a vasopressor. Intraoperative and postoperative vasopressor use was not related to the overall complication rate (odds ratio, 1.547; 95% confidence interval, 0.830–2.882; p = .169). Low‐intraoperative levels of hemoglobin were associated with the overall complication rate. Postoperative vasopressor administration was associated with prolonged ICU stay.ConclusionOur results showed that the intraoperative and postoperative use of vasopressors was not significantly associated with the success rate of free flaps. Future studies investigating the relationship between the dose, type, and duration of vasopressors and the complication rate following free tissue transfer are warranted.
Intelligent reflecting surface‐assisted terahertz communication towards B5G and 6G: State‐of‐the‐art
Authors: Raza Ali , Ijaz Umer , Ishfaq Muhammad Kamran , Ahmad Sarosh , Liaqat Maryam , Anwar Fraz , Iqbal Ali , Sharif Muhammad Saad 
Published: February 2022

AbstractAfter the deployment of 5th generation (5G), the beyond 5G (B5G) and 6th generation (6G) communication grabs the critical attention of academia and researchers. In ongoing cellular generation, the selected radio spectrum (i.e., millimeter waves [mm‐Wave]) is unable to achieve the required data rates. Future cellular generations need more data rate and link reliability to serve emerging intelligent applications of B5G and 6G (e.g., autonomous driving, virtual reality, etc.). To handle these limitations of ongoing cellular generation, the researchers are working on key factors to have a smart, high capacity and ultra‐reliable propagation environment. To increase the data rate of the B5G and 6G network systems, the terahertz (THz) band is selected. However, to increase link reliability, the intelligent reflecting surfaces (IRSs) have a crucial impact on wireless network environments. Immense work has been done on the performance analysis of IRS‐assisted wireless communication networks. This treatise imposes a comparison of such IRS‐assisted THz communication systems, and future promising applications.
DeepPhysics: A physics aware deep learning framework for real‐time simulation
Authors: Odot Alban , Haferssas Ryadh , Cotin Stephane 
Published: February 2022

AbstractReal‐time simulation of elastic structures is essential in many applications, from computer‐guided surgical interventions to interactive design in mechanical engineering. The finite element method is often used as the numerical method of reference for solving the partial differential equations associated with these problems. Deep learning methods have recently shown that they could represent an alternative strategy to solve physics‐based problems. In this article, we propose a solution to simulate hyper‐elastic materials using a data‐driven approach, where a neural network is trained to learn the nonlinear relationship between boundary conditions and the resulting displacement field. We also introduce a method to guarantee the validity of the solution. In total, we present three contributions: an optimized data set generation algorithm based on modal analysis, a physics‐informed loss function, and a hybrid Newton–Raphson algorithm. The method is applied to two benchmarks: a cantilever beam and a propeller. The results show that our network architecture trained with a limited amount of data can predict the displacement field in less than a millisecond. The predictions on various geometries, topologies, mesh resolutions, and boundary conditions are accurate to a few micrometers for nonlinear deformations of several centimeters of amplitude.
Responsible leadership, organizational commitment, and work engagement: The mediator role of organizational identification
Authors: Gomes Jorge F. S. , Marques Tânia , Cabral Constança 
Published: February 2022

AbstractAs a recent concept in leadership and organizational studies, responsible leadership is said to bring many benefits to organizations in all sectors. This statement is more theoretically grounded than empirically based, as field studies are still scarce in many sectors and industries, and even more so in nonprofit organizations. The current investigation seeks to explore the multiple relationships between responsible leadership and a number of important outcome variables in organizations, namely organization commitment and work engagement. The study further examines organizational identification as a moderating and explaining mechanism between responsible leadership and the two mentioned outcomes, in the nonprofit sector. Questionnaires from 231 employees from Portuguese nonprofit organizations were collected and analyzed with structural equation modeling, partial least squares (SEM‐PLS). The results confirmed that responsible leadership is an antecedent for the three variables, and that organizational identification mediates the relationship between responsible leadership on the one hand, and organizational commitment and work engagement on the other hand. Responsible leadership provides several benefits for the understanding and management of leadership in nonprofit organizations. Thus, nonprofit organizations should be able to select, prepare, train, and develop leaders with the aim to become more responsible oriented and capable of engaging the workforce, which implies the associated need to nurture employee‐relations in nonprofit organizations.
Height and BMI in fragile X syndrome: A longitudinal assessment
Authors: Choo Tse‐Hwei , Xu Qing , Budimirovic Dejan , Lozano Reymundo , Esler Amy N. , Frye Richard E. , Andrews Howard , Velinov Milen 
Published: February 2022

AbstractObjectivePreviously reported data regarding growth parameters in individuals with fragile X syndrome (FXS) are inconsistent. A longitudinal analysis of height and BMI in a large number of individuals with FXS was conducted.MethodsAge‐ and sex‐specific z scores for height and BMI of 1,223 individuals with FXS were calculated based on published normative data. Mixed‐effect linear regression models were fit separately for males and females, and z scores for height and weight were regressed against age and adjusted for intellectual disability (ID) and psychotropic medication use.ResultsMean height z score for both sexes decreased with age and was lower than normative data. Mean BMI z score was greater than normative data in both sexes, and this disparity increased with age. BMI z score in females was greater for those with moderate or severe ID than those with no or mild ID. Individuals taking antipsychotics had higher BMI z scores than those taking no or other medications; those taking anticonvulsants or stimulants had lower BMI z scores.ConclusionsIndividuals with FXS are at elevated risk for overweight and obesity. The risk is higher in individuals taking antipsychotics and among females with severe ID. These findings warrant increased attention to obesity prevention for all individuals with FXS.
Preparation the composite with high toughness and strength by recycled cyclic olefin copolymer
Authors: Sun Ming Yang , Liu Wen Chuan , Wu Yuan Sheng , Qian Hao 
Published: February 2022

AbstractAt present, it is of great significance to develop an effective method of recycling cyclic olefin copolymers (rCOC) due to its increasing application. But, its poor toughness is still an important difficulty to limit its effective recycling. In this article, we introduced PA6 into the POE‐g‐MAH/rCOC composites. Because of the good compatibility of POE‐g‐MAH between PA6 and rCOC, it just led to an overall improvement in mechanical properties of PA6/POE‐g‐MAH/rCOC (45/15/40) composites. Its tensile strength reached 42.3 MPa, which was more than 41.9% compared with that of POE‐g‐MAH/rCOC composites. Its notched impact strength was 11.7 kJ/m2, which was higher than 875.0% compared with rCOC. Furthermore, the component of PA6 was wrapped by nonpolar rCOC and POE‐g‐MAH, resulting in a low water absorption rate (1.0%). So, the strength of the composites only dropped a little after water adsorption. In summary, the addition of PA6 helped the composites effectively utilize the toughness of POE‐g‐MAH. Thus, we developed an easy method to recycle rCOC and prepare the responding composites with high strength and toughness.
A systematic review of the drug–drug interaction between statins and colchicine: Patient characteristics, etiologies, and clinical management strategies
Authors: Schwier Nicholas C. , Cornelio Cyrille K. , Boylan Paul M. 
Published: February 2022

AbstractColchicine and statins are frequently co‐prescribed for prevention and treatment of cardiovascular diseases, auto‐inflammatory diseases, and gout. Both are substrates and inhibitors of the cytochrome P‐450 (CYP) 3A4 isozyme and P‐glycoprotein so that taken together, they represent a clinically significant interaction. Data suggest the interaction may be associated with potentially life‐threatening myopathies and rhabdomyolysis. The purposes of this systematic review (SR) were to gather and appraise evidence surrounding the statin‐colchicine drug interaction and discuss related risk‐mitigation strategies. An electronic literature search was performed. Twenty‐one articles met the protocol to be included in the qualitative analysis: 18 case reports/series, 2 retrospective observational cohort studies, and 1 retrospective case‐control study. Thirty‐eight patients developed an adverse drug event (ADE) receiving statin‐colchicine combination therapy; 25 (66%) patients developed myopathy; 10 (26%) patients developed rhabdomyolysis, and three (8%) patients developed neuromyopathy. Over 70% of patients developed ADEs on simvastatin or atorvastatin, and 80% of studies reported moderate‐to‐high intensity statins. Colchicine dosing varied but ranged between 0.5 to 1.5 mg daily. Sixty‐two percent of patients in the case reports/series had comorbid renal disease. Seven studies (33% of all included studies) reported patients taking concomitant interacting medications at the CYP3A4 and/or P‐glycoprotein efflux pump. Seventeen studies (81% of all included studies) reported ADEs leading to hospitalization. A multivariate analysis from one case‐control study identified risk factors prognosticating myopathy ADEs in patients taking statin‐colchicine therapy: comorbid renal disease and/or cirrhosis, colchicine doses 1.2 mg daily or greater, and concomitant interacting medications. Clinicians must be cognizant that the statin‐colchicine drug interaction may lead to patient harm and thus should employ risk‐mitigation strategies for statin‐associated muscle symptoms. Future studies are warranted to validate clinically relevant risk factors that are strongly associated with the complications owing to the statin‐colchicine drug interaction.
Pollen‐mediated flow of herbicide resistance genes in Beckmannia syzigachne
Authors: Qu Xiang , Liu Chun , Zhuang Jiawen , Qiang Sheng 
Published: February 2022

AbstractBACKGROUNDBeckmannia syzigachne (Steud.) Fernald has evolved herbicide resistance due to the long‐term sole use of herbicides and has become a dominant weed in wheat fields in the middle and lower reaches of the Yangtze River in China. In addition to the selection pressure imposed by herbicides, pollen‐mediated gene flow (PMGF) has been reported to cause the spread of herbicide resistance between populations within a certain range in some farmland weeds. It is not clear whether the same is true for the self‐pollinated grass weed B. syzigachne.RESULTSIn this study, we confirmed and quantified the level of PMGF in B. syzigachne through concentric circle planting and herbicide resistance tests. Results show that when the B. syzigachne pollen donor was close to the recipient (0.5 m), the average gene flow was 0.66%. Gene flow was detected as far as 10 m (the farthest distance studied) and decreased exponentially with increasing distance, which could be described by a double exponential decay model. Temperature also affected gene flow, whilst the average level of gene flow in all directions of wind was similar and wind speed caused insignificant difference in gene flow.CONCLUSIONThe results of this study confirmed that PMGF can occur between B. syzigachne populations in adjacent fields. Although the level of resistance spreading by pollen was low, especially across long distance, the results were relevant for smallholding farms, which is the dominant form of agricultural operation in China. It is therefore important to take proactive measures and integrate chemical and ecological weed control methods to prevent the spread of resistant B. syzigachne via both seeds and pollens. © 2022 Society of Chemical Industry.
Layer by Layer Deposition of 1T′‐MoS2 for the Hydrogen Evolution Reaction
Authors: Alimohammadi Farbod , Yasini Parisa , Marshall Tim , Attanayake Nuwan H. , Borguet Eric , Strongin Daniel R. 
Published: February 2022

AbstractThe layer by layer (LbL) method has been used to assemble catalytic materials for the electrochemical hydrogen evolution reaction (HER). The electrocatalytic activity of LbL deposited 1T′‐MoS2 (metallic phase) on a fluorine‐doped tin oxide substrate was investigated for the HER as a function of the number of deposition layers (mass loading). The morphology, thickness, and roughness of the deposited MoS2 layers as a function of the number of deposition layers were investigated using atomic force microscopy and scanning electron microscopy. The average roughness of the surface increased with the number of deposition layers, indicating that the thickness of the deposited layered material became heterogeneous with increasing layer number. The primary conversion of the deposited 1T′‐MoS2 to the semiconducting 2H‐MoS2 phase via exposure to 532 nm wavelength light, confirmed by Raman spectroscopy and scanning tunneling spectroscopy, allowed a comparison of the HER activity of the two phases at a constant mass loading and surface area on the same substrate. For a given number of deposition layers (i. e., similar mass loading), 1T′‐MoS2 exhibited a lower overpotential for the HER than the 2H‐MoS2 (with a minority 1T′ component) phase. For example, at a sample thickness of 19.7±2.8 nm (20 LbL layers) the overpotentials for the HER for submonolayer amounts of 1T′‐MoS2 and after exposure to 532 nm light were 0.54 and 0.61 V, respectively (at a current density of −2 mA/cm2). Overall, the overpotential for HER associated with both MoS2 phases decreased as the mass loading increased.
Investigation of Factors Influencing the Photocatalytic Degradation of Pharmaceuticals, a Novel Investigation on Supported Catalysts Using UV‐A LEDs as Light Source
Authors: Schnabel Tobias , Dutschke Manuel , Mehling Simon , Springer Christian A. , Londong Jörg 
Published: February 2022

AbstractSupported titanium dioxide‐based photocatalysts were investigated for the degradation of pharmaceuticals under irradiation with UV−A LEDs. Focus of the presented research was placed on the degradation kinetics under different matrix influences and energy flux densities of UV−A radiation. The chemical parameters, pH, orthophosphate, nitrogen concentration and background organic concentration were investigated. The results were evaluated by time‐resolved measurement of the concentrations and by calculating and plotting the first‐order degradation rate. The results showed clear differences in the rates of degradation of each compound, with diclofenac being the most easily degraded and metoprolol the most resistant. When the influence of energy flux density was examined, a linear relationship between degradation rate and the square root of energy flux density was confirmed. The organic background matrix has a strong influence on the degradation kinetics of the compounds. Nitrogen and orthophosphate slow down the degradation much less than the organic background matrix. Investigating the pH influence, it could be shown that almost no degradation is detected in the basic pH range. The results were illustrated with the help of a radar diagram, which can show all dependencies at a glance.
Synthesis, Molecular Docking and Anticancer Activity of Some 5‐Aryl‐5,10‐dihydropyrido[2,3‐d:6,5‐d′]dipyrimidine‐2,4,6,8‐tetraone Derivatives and Pyrido[2,3‐d]pyrimidines
Authors: Farag Basant , Agili Fatimah , El‐Kalyoubi Samar , Said Said A. , Youssif Shaker , Shehta Wael 
Published: February 2022

AbstractA novel and efficient route towards the synthesis of pyrido[2,3‐d:6,5‐d′]dipyrimidines4 a–gas unexpected products through the reaction of 6‐aminouracil (1) and arylidenemalononitrile or ethyl arylidenecyanoacetate in acetic acid were investigated. On the other hand, reaction of 6‐aminouracil and ethyl 4‐nitrobenzylidenecyanoacetate in ethanol in presence of piperidine (few drops) afforded pyrido[2,3‐d]pyrimidine‐6‐carbonitrile5. In addition, pyrido[2,3‐d]pyrimidines6 a–gwere obtained through the reaction of5with different aliphatic amines in ethanol in presence of triethylamine (few drops). All reactions proceeded in good to excellent yields and the resulting compounds were characterized by different spectroscopic techniques. The antiproliferative activity of these compounds was evaluated towards HEPG‐2, MCF‐7 and HCT‐116 cell lines. The compound6 adisplayed the highest activity against the tested cell lines, followed by compound6 d,6 gand6 b, with strong affinity to bind with the active and allosteric sites of topoisomerase II, as authenticated from the molecular docking analyses.
Synthesis and Antibacterial Evaluation of 3,4‐Dihydro‐1H‐benzo[b]azepine‐2,5‐dione Derivatives
Authors: Akunuri Ravikumar , Vadakattu Manasa , Kaul Grace , Akhir Abdul , Saxena Deepanshi , Ahmad Mohammad Naiyaz , Bujji Sushmitha , Joshi Swanand Vinayak , Dasgupta Arunava , Yaddanapudi Venkata Madhavi , Chopra Sidharth , Nanduri Srinivas 
Published: February 2022

AbstractFused‐azepinones are interesting heterocyclic scaffolds present in various natural products and synthetic derivatives with potent kinase inhibition, anti‐cancer, anti‐inflammatory, anti‐HIV, neuroprotective, anti‐fouling and other biological activities. These fused‐azepinones are also known for their antimicrobial activity against the Plasmodium falciparum, Leishmania, Escherichia coli, and Streptococcus pneumonia. In the present work, we synthesized a library of 3,4‐dihydro‐1H‐benzo[b]azepine‐2,5‐dione derivatives and evaluated them for their antibacterial potential against a panel of bacterial pathogens. The Structure‐activity relationship studies revealed the essential structural features for the promising antibacterial properties against Staphylococcus aureus and Mycobacterium tuberculosis with MIC 4–64 μg/mL. In addition, these compounds exhibited favourable selectivity index (SI≥10) in cytotoxicity studies. With the interesting antibacterial properties exhibited and good selectivity index, these compounds have emerged as promising candidates for further development.
Mild Synthesis of a Dimethoxy‐Terminated Siloxane through a Ring‐Opening Reaction
Authors: Liang Nianjie , Li Qiaosheng , Ge Mengyuan , Gu Defa , Liu Yuzhou 
Published: February 2022

AbstractAlkoxy‐terminated siloxanes can be used as coupling agents to improve the properties of materials, and they are also widely used in organic synthesis. Herein, a method to synthesize a dimethoxy‐terminated siloxane by the ring‐opening reaction of 2,4,6‐trimethyl‐2,4,6‐trivinyl‐1,3,5,2,4,6‐trioxatrisilinane (D3‐Vi) and methanol under mild condition was reported. The reaction does not require strong acids, strong bases or transition metal catalysts. The structure of the product was confirmed by 1H‐NMR, 29Si‐NMR and mass spectrometry (MS). The Gibbs free energy change of the reaction under the implicit solvent model was calculated by density functional theory (DFT), which proved the feasibility of the reaction. The calculation discussed the two‐step mechanism of the ring‐opening reaction. One methanol attacked D3‐Vi to form a monomethoxy‐terminated product, and then another methanol attacked from the other side to form a dimethoxy‐terminated product. The calculated reaction rate constants of the reaction at different temperatures indicate that the reaction has a tunneling effect, especially at low temperatures. Considering the complex reaction of D3‐Vi and methanol explained why the calculated rate constants at low temperatures were large but the ring‐opening reaction could hardly occur. The mild synthesis can promote the application of alkoxy‐terminated silicones.
Accessing N‐Propargyl Amino Alcohols through Cu(I)‐Catalyzed A3‐Coupling/Annulation and Bi(III)‐Promoted Ring‐Opening
Authors: Cao Leilei , Zhou Pengyu , Hu Junduo , Huang Liliang , Feng Huangdi 
Published: February 2022

AbstractAn efficient one‐pot, two‐step process of N‐propargylation of amino alcohols involving in situ protection and deprotection of the amino alcohols. This reaction is initiated by a Cu(I)‐catalyzed A3‐coupling/annulation of an amino alcohol, formaldehyde solution, and a terminal alkyne. Subsequent Bi(III)‐promoted ring‐opening of oxazolidine intermediates leads to the formation of the corresponding N−H‐free N‐propargyl amino alcohols in moderate to excellent yields. Importantly, this strategy allows a wide range of substrates with good functional group tolerance.
Strain‐Plasmonic Coupled Broadband Photodetector Based on Monolayer MoS2
Authors: Lu Donglin , Chen Yang , Kong Lingan , Luo Chaobo , Lu Zheyi , Tao Quanyang , Song Wenjing , Ma Likuan , Li Zhiwei , Li Wanying , Liu Liting , Li Qianyuan , Yang Xiangdong , Li Jun , Li Jia , Duan Xidong , Liao Lei , Liu Yuan 
Published: February 2022

Abstract2D Semiconductors are promising in the development of next‐generation photodetectors. However, the performances of 2D photodetectors are largely limited by their poor light absorption (due to ultrathin thickness) and small detection range (due to large bandgap). To overcome the limitations, a strain‐plasmonic coupled 2D photodetector is designed by mechanically integrating monolayer MoS2 on top of prefabricated Au nanoparticle arrays. Within this structure, the large biaxial tensile strain can greatly reduce the MoS2 bandgap for broadband photodetection, and at the same time, the nanoparticles can significantly enhance the light intensity around MoS2 with much improved light absorption. Together, the strain‐plasmonic coupled photodetector can broaden the detection range by 60 nm and increase the signal‐to‐noise ratio by 650%, representing the ultimate optimization of detection range and detection intensity at the same time. The strain‐plasmonic coupling effect is further systematically characterized and confirmed by using Raman and photoluminescence spectrophotometry. Furthermore, the existence of built‐in potential and photo‐switching behavior is demonstrated between the strained and unstrained region, constructing a self‐powered homojunction photodetector. This approach provides a simple strategy to couple strain effect and plasmonic effect, which can provide a new strategy for designing high‐performance and broadband 2D optoelectronic devices.