bluuebunny/crossref_metadata_2025_split huggingface dataset:
Computational benchmarking of putative KIFC1 inhibitors
Authors: Sharma Nivya , Setiawan Dani , Hamelberg Donald , Narayan Rishikesh , Aneja Ritu 
Published: September 2022

AbstractThe centrosome in animal cells is instrumental in spindle pole formation, nucleation, proper alignment of microtubules during cell division, and distribution of chromosomes in each daughter cell. Centrosome amplification involving structural and numerical abnormalities in the centrosome can cause chromosomal instability and dysregulation of the cell cycle, leading to cancer development and metastasis. However, disturbances caused by centrosome amplification can also limit cancer cell survival by activating mitotic checkpoints and promoting mitotic catastrophe. As a smart escape, cancer cells cluster their surplus of centrosomes into pseudo‐bipolar spindles and progress through the cell cycle. This phenomenon, known as centrosome clustering (CC), involves many proteins and has garnered considerable attention as a specific cancer cell‐targeting weapon. The kinesin‐14 motor protein KIFC1 is a minus end‐directed motor protein that is involved in CC. Because KIFC1 is upregulated in various cancers and modulates oncogenic signaling cascades, it has emerged as a potential chemotherapeutic target. Many molecules have been identified as KIFC1 inhibitors because of their centrosome declustering activity in cancer cells. Despite the ever‐increasing literature in this field, there have been few efforts to review the progress. The current review aims to collate and present an in‐depth analysis of known KIFC1 inhibitors and their biological activities. Additionally, we present computational docking data of putative KIFC1 inhibitors with their binding sites and binding affinities. This first‐of‐kind comparative analysis involving experimental biology, chemistry, and computational docking of different KIFC1 inhibitors may help guide decision‐making in the selection and design of potent inhibitors.
Impact of Physiologically Relevant Genistein Exposure at Different Time Windows on Puberty Onset and Neuroendocrine Function in Female Rats
Authors: Xiong Jingyuan , Tian Ye , Ma Guochen , Wang Xiaoyu , Shan Shufang , Cheng Guo 
Published: September 2022

ScopePuberty timing, critical for adulthood wellbeing, is influenced by the environment, life‐style, and diets. However, differential puberty‐interfering effects of soy and soy isoflavone are observed in both epidemiological and toxicological studies. Additionally, their impact on neuroendocrine function at various pre‐pubertal developmental windows is unclear.Methods and resultsThis study investigates the effect of genistein, a typical soy isoflavone, at neonatal, lactational, and post‐weaning stages on the time of vaginal opening and determines the levels of neuroendocrine factors in female rats using immunofluorescence, immunochemistry, and enzyme‐linked immunosorbent assays. A physiologically relevant dosage (10 mg kg−1) is used to resemble human exposure. The results show that genistein exposure at lactational stage significantly accelerates vaginal opening time, marginally increases hypothalamic gonadotropin‐releasing hormone (GnRH) secretion, significantly enhances kisspeptin receptor expression, and markedly elevates blood levels of GnRH, luteinizing hormone, and follicle‐stimulating hormone, while neonatal and post‐weaning exposures do not induce significant alternations.ConclusionLactational stage may be an important window for genistein to impact reproductive development and neuroendocrine regulations.
A broadband intermodulation reference generator based on artificial nonlinear dipole
Authors: Zhang Keyue , Chen Xiong , Zhao Xiaolong , Cao Zhi , He Yongning 
Published: September 2022

AbstractAccurate passive intermodulation (IM) test calls for precise IM reference for verifying and evaluating the test error from the tester, which makes the IM calibrator source with a wide working band and dynamic range important. This letter reports on a low‐cost and broadband IM generator with a compact area of 5 × 5 cm2. The broadband IM source is designed and demonstrated on the coplanar waveguide structure, where an artificial nonlinear dipole is used to generate IM reference. In special, the dipole is constructed by a diode (HSMS 2822) and two independent copper islands with optimized size. By controlling the bias voltage across the diode, the IM magnitude level can be changed accordingly. The IM tunable dynamic range is over 47.5 dB that covers GSM 800 MHz, GSM 900 MHz, DCS 1800 MHz, and TD‐LTE band. Meanwhile, the obtained IM has an improved IM‐bias flat response.
Distribution law of strain energy density for stiffness design of GFRP, UT/GFRP, and VRB/GFRP hybrid hat‐shaped beams
Authors: Zhang Yu , Duan Libin , Liu Xing , Zheng Haiyang , Du Zhanpeng , Xu Wei , Wu Chuang 
Published: September 2022

AbstractThe structural optimization for stiffness performances with hundreds or thousands of design parameters is a complex and time‐consuming process. This is because, on the one hand, the direct relationship between the stiffness and the many design parameters is unknown, and on the other hand, the sensitivity of a single design parameter to the global stiffness is hardly obtained. Therefore, transforming the global stiffness performance to the strain energy density (SED) distribution over the whole structure can significantly simplify the optimization problem. In this work, the relationships among the design parameters, SED distribution and stiffnesses of glass fiber reinforced plastic (GFRP), uniform thickness metal (UT)/GFRP, and variable‐thickness rolled blanks (VRB)/GFRP hat‐shaped beams are investigated through numerical simulations. It is found that the higher SED of the all hat‐shaped beam structure indicates a worse stiffness performance under both bending and torsional conditions. When the SED of the GFRP hat‐shaped beam increases 6.65%, its bending stiffness decreases 10.8%. It is also found that the smaller SED distribution variance of the all hat‐shaped beam structures indicates a better stiffness performance. When the SED distribution variances of the VRB and GFRP in the VRB/GFRP hybrid beam are, respectively, reduced by 70.78% and 85.56%, the bending stiffness of the hybrid beam is increased by 50.83%. The above relations and conclusions indicate that the structural stiffness optimization problem with many design parameters can be replaced with the structural SED distribution variance minimization problem, which would not need the unavailable sensitivities of the design parameters to the global stiffness. Besides, compared to the GFRP hat‐shaped beam, with the same mass, volume or cost, the bending stiffnesses of the VRB/GFRP hat‐shaped beam, respectively, increases by 196.1%, 476.5%, and 676.4%, and its torsional stiffnesses, respectively, increases by 70.9%, 233.0%, and 348.4%. This means the combination of VRB and GFRP in the beam structure can reach a better stiffness performance and a higher lightweight level.
Low‐dose adjuvant dexmedetomidine did not decrease propofol sedation requirements in children undergoing gastrointestinal endoscopy
Authors: Johnson Eric G. , Weaver Sarah G. , Batt Kelsey L. , Weaver Robert H. , Schadler Aric , Hall Sarah J. 
Published: September 2022

AbstractBackgroundPropofol is the cornerstone of deep sedation during pediatric esophagogastroduodenoscopy (EGD), though adjuvant dexmedetomidine may provide propofol‐sparing benefits.ObjectiveThe objective of the study was to evaluate whether adjuvant dexmedetomidine decreases the total propofol dose in pediatric patients undergoing EGD.MethodsThis single‐center, retrospective, cohort study evaluated the total propofol dose in pediatric patients undergoing EGD with and without the use of adjuvant dexmedetomidine. Secondary outcomes included the change in hemodynamics across the perioperative continuum and post‐procedure recovery time. A multivariable general linear regression was performed to identify associated variables for recovery time post‐procedure.ResultsA total of 159 patients were included in the study; 88 patients received dexmedetomidine and propofol (DEX‐PRO), and 71 patients received propofol only (PRO). The median [interquartile range (IQR)] propofol dose in the DEX‐PRO group was 0.26 [IQR, 0.17–0.36] mg kg−1 min−1 which was not significantly different than the PRO group at 0.27 [IQR, 0.21–0.34] mg kg−1 min−1, p = 0.730. Evaluation of secondary end points showed the DEX‐PRO group had more cases of post‐anesthesia care unit (PACU) hypotension (61% vs. 34%, p = 0.001) and a longer recovery time (32.9 ± 14.1 vs. 25.6 ± 10.8 min, p < 0.001) versus the PRO group, respectively. Multivariable linear regression demonstrated that age and the use of dexmedetomidine were associated with prolonged recovery.ConclusionAdjuvant dexmedetomidine did not reduce propofol requirements compared with propofol alone in pediatric patients undergoing EGD. More hypotension and a longer postoperative recovery time were also seen in patients receiving adjuvant dexmedetomidine for their endoscopic procedure.
Characterization and study of the vulcanization characteristics of ultra‐cold‐resistant reactive chlorinated acrylic rubber prepared by emulsion polymerization
Authors: Yang Xing‐Bing , Lei Ting , Lu Wei , Huang Xiang , Jiang Lei 
Published: September 2022

AbstractIn a system initiated by potassium persulfate, an ultra‐cold‐resistant reactive chlorinated resin rubber was synthesized by emulsion polymerization. In this emulsion polymerization, ethyl acrylate and butyl acrylate were used as the main components of the rubber monomer. 2‐Methoxyethyl acrylate was used as a cold‐resistant monomer, and vinyl chloroacetate was used as a vulcanized monomer. Fourier transform infrared spectroscopy, thermogravimetry–gas chromatography–mass spectrometry, 1H NMR, 13C NMR and other rubber detection standards were used to characterize the structure and properties of the synthetic acrylate rubber. Studies showed that acrylate rubber was synthesized by emulsion polymerization, and each monomer achieved random copolymerization with high conversion. The synthetic acrylate rubber has excellent low‐temperature resistance (the brittleness temperature is −36.5 °C). In addition, the rubber has excellent mechanical properties and a high vulcanization speed and is a fast‐vulcanizing acrylic rubber. © 2022 Society of Industrial Chemistry.
Towards market commercialization: Lifecycle economic and environmental evaluation of scalable perovskite solar cells
Authors: Martulli Alessandro , Rajagopalan Neethi , Gota Fabrizio , Meyer Toby , Paetzold Ulrich W. , Claes Steven , Salone Alberto , Verboven Jordy , Malina Robert , Vermang Bart , Lizin Sebastien 
Published: September 2022

AbstractMany economic and environmental studies on novel perovskite solar cells (PSCs), published ex post the development stage to investigate the market competitiveness, have focused on laboratory‐scale PSC architectures that are not amenable for upscaling. In this paper, we evaluate the market potential and environmental sustainability of a scalable carbon‐electrode‐based PSC by benchmarking it to the market dominating c‐Si photovoltaics and CIGS thin film photovoltaics. The analysis covers the PSCs full lifecycle, at the module and system levels (residential and utility scale), and is based on realistic annual energy output data derived from energy yield calculations. We find that this PSC can produce electricity at low cost (3–6 €cents/kWh), with lowest energy payback (0.6–0.8 years) and greenhouse gas emissions (15–25g CO2 eq./kWh) compared with grid‐connected PV market alternatives, assuming 25years of lifetime, expected PV system cost reductions, and PSC module recycling and refurbishment.
Molecular Dynamics Simulation of the Pyrolysis and Oxidation of NEPE Propellant
Authors: Wen Zhengcheng , Zhao Xiang , Li Heping , Huang Xuefeng , Wang Fang , Li Wei , Tang Gen , Feng Muye 
Published: September 2022

AbstractNEPE propellant is a new type of propellant with high energy and good low‐temperature mechanical properties. However, due to the lack of detailed research on its microscopic pyrolysis and oxidation mechanism, its combustion performance is challenging to regulate, limiting the further development. Therefore, a core‐shell nanoparticle model (Al/Al2O3/HMX/NEPE) with 12257 atoms is constructed in this paper. Based on the above force field, we mainly analyze the behavior of high temperature pyrolysis. At the same time, key intermediate products and key original reactions are obtained. It is found that the pyrolysis and oxidation of NEPE propellant can be roughly divided into three stages: (1) Pyrolytic warming stage (0–200 ps), (2) Rapid reaction stage (200–400 ps), (3) Stable reaction stage (400–1200 ps). The pyrolysis and oxidation of HMX/NEPE on the Al(Aluminium) core surface is essentially a gradual fracture of the macromolecular structure. Due to high temperature pyrolysis, a large amount of NO2, NO, NH and NH2 are produced in the system. NO, NO2 interacts with NH and NH2, resulting in the rapid accumulation of N2 and H2O while generating a large amount of heat, which is the main reason for the heating of the system. The present study would contribute to the formulation design and combustion performance regulation of NEPE solid propellants, which is an essential reference value.
Simple mechanisms for the evolution of protein complexity
Authors: Pillai Arvind S. , Hochberg Georg K.A. , Thornton Joseph W. 
Published: September 2022

AbstractProteins are tiny models of biological complexity: specific interactions among their many amino acids cause proteins to fold into elaborate structures, assemble with other proteins into higher‐order complexes, and change their functions and structures upon binding other molecules. These complex features are classically thought to evolve via long and gradual trajectories driven by persistent natural selection. But a growing body of evidence from biochemistry, protein engineering, and molecular evolution shows that naturally occurring proteins often exist at or near the genetic edge of multimerization, allostery, and even new folds, so just one or a few mutations can trigger acquisition of these properties. These sudden transitions can occur because many of the physical properties that underlie these features are present in simpler proteins as fortuitous by‐products of their architecture. Moreover, complex features of proteins can be encoded by huge arrays of sequences, so they are accessible from many different starting points via many possible paths. Because the bridges to these features are both short and numerous, random chance can join selection as a key factor in explaining the evolution of molecular complexity.
Causation analysis of fire explosion in the port's hazardous chemicals storage area based on FTA‐AHP
Authors: Chang Yong , Zhang Dehao 
Published: September 2022

AbstractAt 22:51 on August 12, 2015, a fire explosion accident occurred in the hazardous cargo warehouse of the Ruihai Company, which is located in Tianjin Port, Binhai New Area, Tianjin. This accident killed 165 people and caused direct economic losses of 6.866 billion yuan. In order to reduce the occurrence and harm of fire explosion accidents in the port's hazardous chemicals storage area, the main influencing factors were analyzed using the fault tree analysis‐analytic hierarchy process (FTA‐AHP) method, and each factor was quantitatively analyzed. Taking a hazardous chemicals storage yard in Shanghai as an example, the cause of fire explosion in a hazardous chemicals storage area was obtained by establishing a fault tree analysis (FTA) and analytic hierarchy process (AHP). Then, the AHP model was established to calculate the weight of each influencing factor, and finally, the total weight ratio of each influencing factor was obtained. The results showed that human factors were the main and direct factors, equipment and facilities factors were the secondary factors, and management factors were the fundamental factors in fire explosion accidents in the port's hazardous chemicals storage areas. According to the evaluation results, a prevention and control strategy for fire explosion accidents in hazardous chemicals storage areas is proposed, which has reference value for relevant management departments.
Key correlates of exclusive breastfeeding at three timepoints: Evidence from Ethiopia
Authors: Yigletu Seblewongel , Tendulkar Shalini A. , Holmes Ashley C. , Abdelmenan Semira , Tadesse Amare , Berhane Hanna Y. , Kosinski Karen C. 
Published: September 2022

AbstractAimTo compare factors associated with exclusive breastfeeding (EBF) within 1 h of birth, within 3 days, and within the first 6 months post‐birth.MethodsWe used multivariate logistic regression models and data from “The Alive and Thrive Phase 2 Amhara Baseline Survey 2015” from Ethiopia (N = 3113).ResultsGiving colostrum was strongly associated with EBF at all three time points, controlling for multiple confounders. Putting the baby to the breast before cleaning the baby and before cleaning the mother was significantly associated with EBF within 1 h and for the first 3 days. EBF within an hour of birth was more likely for girl babies than boy babies. Having a healthcare professional check whether the baby was sucking well was significantly associated with EBF 3 days post‐birth.ConclusionsThe World Health Organization recommends breastfeeding within 1 h of birth and exclusively thereafter for 6 months, which can improve health outcomes for infants and children. In Ethiopia, many factors influence breastfeeding practices, but little is known about how these factors differ at various key timepoints in the 6 months after birth. Our study provides important information on correlates of EBF at three timepoints and shows that factors that are significantly correlated with EBF vary over time. Future research should assess the potential causal links among statistically significant associations between EBF and risk factors at various times between birth and 6 months of age. Ultimately, these findings have the potential to inform areas of intervention related to promoting EBF.
Cadmium Removal from Cadmium‐Containing Apatites by Ion‐Exchange Reactions
Authors: Zalim Yassine , Benayada Abbès , El Ahmadi Zakia 
Published: September 2022

AbstractThe exchange reaction of cadmium by non‐toxic metallic cation ions in a cadmium‐containing apatite was studied. A cadmium‐containing apatite with characteristics close to those of natural phosphate ore was synthesized. Copper and then zinc ions have been found to be the most effective elements for the exchange reaction. After 4 h of treatment at room temperature, 25 % and 14 % of cadmium were removed using 0.1 msolutions of copper and zinc ions, respectively. At 60 °C, cadmium removal efficiency improved considerably. For copper ions, the efficiency reached 53 %, while it arrived at 25 % for zinc ions. The equilibrium study shows that the two reactions are thermodynamically feasible but balanced reactions with little reaction progress for small cadmium content. The reaction can be well modeled by the shrinking‐core model and is found to be controlled by the diffusion through the reacted layer.
Hydrophobic‐Binding‐Driven and Fluoresence‐Free Development of Aged Fingerprints Based on Zinc Oxide Nanoparticles
Authors: Li Yayi , Peng Di 
Published: September 2022

AbstractThe requirement of nonfluorescent developers for aged latent fingerprint development is still of great urgency in forensic science. To enhance the specific interaction between fingerprint residue and nano‐developers, a γ‐methacryloxy propyl trimethoxyl silane (MPTS) modified zinc oxide nanoparticle (ZnO NP) was synthesized. The crystal structure, morphology, surface functional group, thermostability, UV/Vis spectra, photoluminescence and stability of sedimentation were characterized to prove the hydrophobicity, UV blocking nature and nonfluorescence of as‐prepared MPTS‐modified ZnO NPs. Additionally, after the specific surface area (SSA) of samples with different MPTS amount was analyzed by BET, a competitive adsorption mechanism between silane‐ZnO bonding and silane oligomer‐ZnO deposition was suggested. In the demonstration of latent fingerprint development, the powder dusting method was utilized on various surfaces both in positive and reversed imaging modes, exhibiting the high contrast, high sensitivity, high selectivity and wide applicability, even for aged fingerprints. Therefore, it provides a new strategy for fast, efficient and inexpensive development of older latent fingerprints in forensic analysis.
Supramolecular Self‐Assembly Modes of Cyclopentanocucurbit[6]uril and Aromatic Amines
Authors: Deng Shaojie , Zheng Jun , Ma Yue , Wang Shanfei , Yang Xinan , Ma Peihua 
Published: September 2022

AbstractZnCl2 has been used as a structural inducer in hydrochloric acid solution to construct three supramolecular frameworks of action utilizing cyclopentanocucurbit[6]uril (CyP6Q[6]) as the host and (4‐aminophenyl)methanol (G1), 4‐benzylaniline (G2), and 4,4’‐diaminobenzophenone (G3) as guests. The structure was confirmed using X‐ray single crystal diffraction, 1HNMR spectroscopy, and mass spectroscopy (MS). The results showed that G1 entered the molecular cavity of CyP6Q[6], CyP6Q[6] had portal and outer‐surface interactions with G2, and G3 only acted on the outer surface of CyP6Q[6] with calcium ion coordination.
Combined Forecasting of Ship Heave Motion Based on Induced Ordered Weighted Averaging Operator
Authors: Wang Hailun , Lei Dongge , Wu Fei 
Published: September 2022

AbstractHeave motion of ships is a complex nonlinear dynamic process and cannot be accurately forecasted using a single prediction model. In this paper, an effective combined forecasting method is proposed to perform ship's heave motion prediction. The proposed method combines back propagation neural network (BPNN), autoregressive model (AR) and extreme learning machine (ELM) through an induced ordered weighted averaging (IOWA) operator. The prediction accuracy is selected as the induced variable and the prediction results are sorted according to prediction accuracy and IOWA operator assigns larger weights to the position with the smallest prediction error. The optimal weights are determined by maximizing the B‐mode relational degree. Experimental results demonstrate its effectiveness of the proposed method. © 2022 Institute of Electrical Engineers of Japan. Published by Wiley Periodicals LLC.
Study on the Effect of Suspension Windings on the Electromagnetic Vibration and Noise ofUltra‐high‐SpeedBearingless Permanent Magnet Synchronous Motor for Air Compressor
Authors: Xiaoyuan Wang , Na Li , Tian Yu , Tianyuan Li 
Published: September 2022

The electromagnetic vibration and noise level of ultra‐high‐speed bearingless permanent magnet synchronous motor (UBPMSM) for air compressors used in the fuel‐cell vehicle (FCV) is an important evaluation. A 10 kW, 100 k r/min UBPMSM is adopted as the object of study in this research. The expression of radial electromagnetic force of UBPMSM is derived through theoretical analysis, and the order and frequency characteristics of radial electromagnetic force harmonics are summarized. Through the two‐dimensional (2D) Fourier decomposition of radial electromagnetic force by finite element analysis (FEA), the main sources of radial electromagnetic force causing the electromagnetic vibration and noise are studied. The correctness of the mathematical model is verified by FEA. In addition, the three‐dimensional (3D) finite element model of the motor is established to calculate the radial modal, natural frequency, and electromagnetic vibration and noise of UBPMSM. The research shows that the spatial order of radial electromagnetic force of UBPMSM iskN andkN ± 1 (N = GCD [2p, Z],k = 1, 2, 3, …), and the noise change of UBPMSM caused by the addition of suspension windings could be ignored compared with ordinary motor. It provides reference values for the design and optimization of UBPMSM. © 2022 Institute of Electrical Engineers of Japan. Published by Wiley Periodicals LLC.