bluuebunny/crossref_metadata_2025_split huggingface dataset:
pH‐Dependent Behavior of Ionizable Cationic Lipids in mRNA‐Carrying Lipoplexes Investigated by Molecular Dynamics Simulations
Authors: Settanni Giovanni , Brill Wolfgang , Haas Heinrich , Schmid Friederike 
Published: December 2021

AbstractLipid‐based nanoparticles and lipoplexes containing ionizable lipids are among the most successful nanocarriers for mRNA‐based therapies. The molecular structure of these assemblies is still not fully understood, as well as the role played by the ionizable lipids. SAXS experiments have shown that lipoplexes including the ionizable lipid 2‐dioleyloxy‐N,N‐dimethyl‐3‐aminopropane (DODMA), under specific conditions, have a lamellar structure, where lipid bilayers are separated by mRNA‐rich layers, with an overall spacing between 6.5 and 8.0 nm and a complex pH‐dependence. Here, the structure and dynamics of these lipoplexes are investigated at varying pH and mRNA concentration using multiscale molecular dynamics simulations. It is observed that the interaction between DODMA and RNA is slightly attractive only at low pH levels, while it becomes effectively repulsive at high and intermediate pH. This results into a pH‐dependent relocation of the RNA inside the multilayers, from the lipid head groups at low pH to a more uniform distribution inside the hydrophilic slabs of the multilayers at high pH. It is also observed that at high pH, DODMA lipids shift toward the hydrophobic part of the bilayer, consequently increasing their leaflet‐flipping rate, a phenomenon which may ultimately affect the fusion process of the lipoplex with the endosomal membrane.
Undrained cylindrical cavity expansion/contraction in stiff clays using a two‐surface plasticity model
Authors: Cheng Wei , Chen Ren‐Peng , Pereira Jean‐Michel , Cui Yu‐Jun 
Published: December 2021

AbstractThis paper presents a semi‐analytical solution of undrained cylindrical cavity expansion/contraction problem using a two‐surface plasticity model for natural stiff clays from the view point of poromechanics. The present solution reduces the classical boundary problem into a group of seven first‐order ordinary differential equations via an auxiliary independent variable ξ under undrained conditions. It strictly follows the premise of constant soil mass (CSM). Meanwhile, the solution for the constant soil volume (CSV) problem is used for comparison. It shows that CSM assumption is of paramount importance in developing solutions under high stress condition, while CSV induces non‐negligible errors in effective stress and pore pressure distributions. Based on the premise of CSM, extensive parametric studies on cavity expansion/contraction are undertaken to investigate the effects of the model key parameters on the stress components distribution, excess pore pressure distribution, and cavity expansion curves. The present solution could be useful while dealing with geotechnical and petroleum engineering problems involving stiff clays or soft claystones. The application in Praclay Gallery excavation in natural Boom clay well demonstrates the validity of the present solution.
What convinces donors? An analysis of donation‐based crowdfunding projects from nonprofit charities: The case of South Korea
Authors: Kim Soobin , Kang Chulhee , Engel Rafael 
Published: December 2021

AbstractDespite the potential usefulness of donation‐based crowdfunding as a fundraising tool for nonprofit social welfare organizations, academic understanding of what leads to a successful campaign is limited. Drawing on an information processing model, this research analyzes 889 donation‐based crowdfunding campaigns undertaken by nonprofit social welfare organizations using HappyBean, the most representative crowdfunding platform in South Korea. This study examines whether different types of project information influence the percentage of individual donors giving to the campaign's funding goal. Results show that the emotional impression of a campaign title, visual information, message quality, and message contents are significantly related to the extent of crowdfunding success. This study provides recommendations for nonprofit social welfare organizations to improve the way in which they operate crowdfunding campaigns and communicate with potential funders.
Study on mechanical properties and antifriction of calcium powder filled rubber
Authors: Han Deshang , Yan Gang , Li Shaoming , Pan Yi , Chen Yihui , Wang Chuansheng , Liu Haichao 
Published: December 2021

AbstractStudies show that long‐term operation of the rubber mixer results in wear at the end face of the mixer. End face wear increases the gap between the mixing chamber and the end face, which results in leakage and reduces the mixing performance, thereby affecting the quality of the final product. Therefore, it is of significant importance to investigate the wear of metal face during the mixing process. In the present study, calcium powder was added to the rubber compound using a mechanical blender to obtain a composite material. Then the influence of the calcium powder on metal friction and wear of the end face of the mixer was analyzed. The obtained results show that the calcium powder has anti‐friction properties, which can greatly reduce the compound wear on the metal. The lowest corrosion and wear of the compound on the metal was achieved with 5 phr of calcium powder. Meanwhile, it is found that the tensile and tear‐resistance properties of the compound with 5 phr of calcium powder are slightly lower than those without calcium powder. However, the compound with 5 phr of calcium powder has higher friction, cold resistance, wet slip resistance, and lower rolling resistance.
Research on mechanical and erosion behavior of stepped polymeric functionally graded materials reinforced with aluminum
Authors: Boggarapu Vasavi , L. Ruthik , Adapa Sunil , Kanakam Rakesh , Ojha Shakuntla , Gujjala Raghavendra 
Published: December 2021

AbstractThe aim of this research is to evaluate the mechanical and erosion characteristics of stepped polymeric functionally graded materials (PFGMs) reinforced with aluminum particles. By varying the filler content, gradation is achieved along the sample's thickness direction. Three distinct methodologies were adopted in the fabrication of PFGMs; no curing time between the layers (M1), providing curing time between the layers at room temperature (M2) and thermal curing between the layers at 60°C (M3). The results showed that tensile strength and compressive strength of sample M3 increased by 30.3%, 20.8% and 10.3%, 5% as compared to M1 and M2 respectively. The flexural strength of M3 was enhanced by 9% when load direction was from top to bottom (T‐B) than from bottom to top (B‐T). Moreover, the erosion resistance of M3 was higher among all the test samples.
Dissection Method of Solid Rocket Motor Chamber Based on Ultrasonic Vibration Sawing
Authors: Guo Yu , Shen Zhibin , Li Haiyang , Cui Huiru 
Published: December 2021

AbstractOverall dissection and in situ sampling are the most direct and reliable ways to obtain the storage performance degradation of solid rocket motors. However, mechanical cutting poses serious safety risks because grains are regarded as a chemical product. Ultrasonic vibration sawing of diamond wires can be performed in a wide variety of materials. Moreover, this mechanism has a low cutting force and a high cutting precision, produces narrow slits and leads to a low rise in cutting temperature. Thus, this method has application prospects in comprehensive engine dissection. In this work, the main material physical characteristics of the chamber of a nonmetallic case motor were analysed. A four‐parameter orthogonal experimental study with an infrared temperature measurement as the control parameter was conducted. The safety parameters during the shell cutting were preliminary determined. The cutting temperature inside the solid propellant block was measured with an embedded microthermocouple. The cutting process parameters were then checked. The safety of the method was further verified by simulating the motor chamber via an integrated sawing test. Results showed that the ultrasonic vibration sawing method has the advantages of fast cutting speed, low increase in cutting temperature, produces a flat cutting surface and does not lead to stratification in the cutting interface when dissecting the chamber of the nonmetallic case motor. Moreover, this method has potential applications in the engineering practice of storage life research in solid rocket motors.
Relating vibrational energy with Kekulé‐ and Clar‐structure‐based parameters
Authors: Radenković Slavko , Redžepović Izudin , Đorđević Slađana , Furtula Boris , Tratnik Niko , Žigert Pleteršek Petra 
Published: December 2021

AbstractFor all possible catacondensed Kekuléan molecules having four, five, and six hexagons, the molecular vibrational energies were calculated within the harmonic approximation at the HF, B3LYP, and M06‐2X levels of theory in combination with the 6‐311G(d,p) basis set. The obtained vibrational energies were found to be a linear function of the Kekulé structure count K within the sets of isomeric molecules. By employing the recently introduced generalized Zhang–Zhang polynomial, it was shown that the molecular vibrational energies can be related to the Clar‐structure‐based parameters. The obtained approximate formulas can accurately reproduce the vibrational energies with an average absolute error less than 1 kJ/mol. In addition, these formulas can provide further details on the structural dependence of molecular vibrational energies.
A rare case of urachal carcinoma with multiple lung metastasis that required differentiation from primary lung carcinoma
Authors: Suzuki Kentaro , Kai Yoshiro , Matsuda Masayuki , Horimoto Kazuhide , Iwai Kazunori , Takano Masato , Yoshii Masahito , Muro Shigeo 
Published: December 2021

AbstractUrachal carcinoma is a rare malignancy of all bladder carcinomas. Metastatic lung tumours showing multiple nodules are rare without a local recurrence. We describe a case of multiple metastatic lung cancer from urachal carcinoma that required differentiation from primary lung cancer.
Optimal consensus for uncertain high‐order multi‐agent systems by output feedback
Authors: Tang Yutao , Zhu Kui 
Published: December 2021

AbstractThe distributed optimal output consensus problem for high‐order multi‐agent systems has been studied recently. In this article, we further focus on the same problem for high‐order multi‐agent systems subject to parametric uncertainties and aim at distributed robust controllers by measurement output feedback. We first develop a dynamic compensator to estimate the expected optimal consensus point and convert the problem into several decentralized robust tracking problems. Then, by combining the integral control technique and dirty derivative observer technique, we constructively propose a distributed output feedback integral controller to solve this problem under a mild graph connectivity condition.
α‐Tocopherol‐Conjugated, Open Chain Sugar‐Mimicking Cationic Lipids: Design, Synthesis and In–Vitro Gene Transfection Properties
Authors: Ravula Venkatesh , Muripiti Venkanna , Manthurthi Shireesha , Patri Srilakshmi V. 
Published: December 2021

AbstractSugar based cationic lipids are promising carriers of nucleic acids into various cells. Particularly, abundant hydroxyl functional groups in the sugar‐like moieties are believed to enhance target oriented uptake as well as biocompatibility. Towards this direction, we have synthesized three new cationic lipid analogues with or without sugar‐like multi‐hydroxyl functional head groups. Liposomal formulations of these lipids were developed and thoroughly characterized by means of DNA binding ability, size and zeta potential. Optimal lipid‐DNA complexes were determined by their transfection efficiency in HEK‐293 (Human embryonic kidney) cells. 1,4 gluconic γ‐lactone derived lipid (TS1) and ascorbic acid derived lipid (TS2), have exhibited 25‐fold and 12‐fold increase in transfected HEPG2 (human liver cancer) cells, respectively, when compared with a control lipid without sugar‐like moiety (TA). However, this property was reversed in the case of U87 (human primary glioblastoma) cell line. The results point out that the transfection efficiencies of sugar alcohol‐based cationic lipids are cell‐dependant. Cytotoxicity of the lipid complexes revealed that the sugar‐mimicking cationic lipids are non‐toxic as ≈80 % viable cells were observed in the treated cell lines. In conclusion, the current paper adds knowledge on the sugar based cationic lipids and reiterates that these lipids could yield potential applications towards liver targeted gene delivery.
Rh(III)‐Catalyzed Oxidative Annulation of 2‐Arylindazoles with β‐Ketosulfoxonium Ylides
Authors: Chidrawar Ajay , Devulapally Yogananda Chary , Balasubramanian Sridhar , Basireddy Venkata Subba Reddy 
Published: December 2021

AbstractThe Rh(III)‐catalyzed ortho‐C−H bond functionalization of 2‐aryl indazoles with β‐ketosulfoxonium ylides has been developed for the synthesis of 6‐arylindazolo[2,3‐a]quinoline derivatives in good to excellent yields with a broad substrate scope and good functional group tolerance. The reaction proceeds through a sequential ortho‐alkylation followed by cyclodehydration. The combination of 5 mol% of Cp*Rh(III) and 40 mol% AgSbF6 was found to be effective for this conversion.
Design, Synthesis and Antibacterial Studies of 1,3,4‐Oxadiazole‐Fluoroquinolone Hybrids and Their Molecular Docking Studies
Authors: Yang Ping , Luo Jia‐Bao , Zhang Li‐Lei , Wang Ying‐Si , Xie Xiao‐Bao , Shi Qing‐Shan , Zhang Xin‐Guo 
Published: December 2021

AbstractA series of novel hybrids built on fluoroquinolone skeleton were synthesized by introducing 1,3,4‐oxadiazole derivatives to the C‐7 site of ciprofloxacin or norfloxacin. In vitro antibacterial evaluation showed that hybrids 4 b–d (5‐(hydroxyphenyl)‐1,3,4‐oxadiazol‐2‐yl substituted ciprofloxacin) were an increased activity against Staphylococcus aureus, with a minimum inhibitory concentration (MIC) of ≤0.125 μg/mL, four times superior to the parent drug. Hybrids 4 b–e (4 e, 5‐(4‐(trifluoromethyl) phenyl)‐1,3,4‐oxadiazol‐2‐yl substituted ciprofloxacin) also exhibited significant activity against methicillin‐resistant S. aureus (MRSA), resistant to the parent drug. All the hybrids demonstrated a bactericidal effect on standard bacteria with the MBC value not exceeding four times of their corresponding MIC values. In time‐killing assays, 4 c demonstrated a superior bactericidal action in eradicating S. aureus and E. coli within 2 h, respectively, equipotent to ciprofloxacin. In the molecular docking study, hybrids 4 c exhibited a high binding affinity for type IV topoisomerase with a minimum binding energy of −10.2 kcal/mol.
Synthesis and Cell Imaging of Graphene Quantum Dots from Konjac Glucomannan
Authors: Kang Huiting , Zhang Lilei , Hu Sheng , Guan Lianxiong , Liu Wei , Tian Dating 
Published: December 2021

AbstractGreen photoluminescent graphene quantum dots (GQDs) were synthesized from konjac glucomannan (KGM), which is a natural polysaccharide, by a one‐step hydrothermal method. The resultant GQDs were characterized by various methods such as elemental analysis, X‐ray photoelectron spectroscopy, Fourier transform infrared spectroscopy, atomic force microscopy, high‐resolution transmission electron microscopy, X‐ray diffractometry, and particle size analysis. The photoluminescence properties of the products were evaluated by ultraviolet‐visible spectroscopy, Raman spectroscopy, and fluorescence spectrometry. The lowest unoccupied molecular orbital (LUMO) and the highest occupied molecular orbital (HOMO) of the products were calculated and verified by cyclic voltammetry. A cytotoxicity test indicated that the GQDs prepared from KGM had good biocompatibility. Moreover, the GQDs had excellent cell imaging performance, which suggests that the resultant products are promising candidates for biomedicine.
α‐Substituted Chalcones: A Key Review
Authors: Al‐Rifai Nafisah M. , Mubarak Mohammad S. 
Published: December 2021

AbstractChalcones are attractive chemical motifs with various biological activities. Aryl substituted chalcones have been extensively studied and reviewed through the years. However, α‐substituted chalcones have rarely been investigated. Hence, this review highlights the α‐substituted chalcones: their synthetic routes, reported biological activities, and transformations to other organic compounds. To the best of our knowledge, this would be the first comprehensive review about α‐substituted chalcones. α‐Substitution of chalcones represents a promising approach to tune their reactivity since it has a direct influence on their activity as Michael acceptors. Additionally, α‐substitution has its effect on the structure and conformation of chalcones. Altering the reactivity of chalcones by α‐substitution has a great impact on their biological activity.
Fatigue Resistant Aerogel/Hydrogel Nanostructured Hybrid for Highly Sensitive and Ultrabroad Pressure Sensing
Authors: Huang Jiankun , Zeng Jingbin , Zhang Xue , Guo Gengchen , Liu Rui , Yan Zifeng , Yin Yadong 
Published: December 2021

AbstractAchieving high sensitivity over a broad pressure range remains a great challenge in designing piezoresistive pressure sensors due to the irreconcilable requirements in structural deformability against extremely high pressures and piezoresistive sensitivity to very low pressures. This work proposes a hybrid aerogel/hydrogel sensor by integrating a nanotube structured polypyrrole aerogel with a polyacrylamide (PAAm) hydrogel. The aerogel is composed of durable twined polypyrrole nanotubes fabricated through a sacrificial templating approach. Its electromechanical performance can be regulated by controlling the thickness of the tube shell. A thicker shell enhances the charge mobility between tube walls and thus expedites current responses, making it highly sensitive in detecting low pressure. Moreover, a nucleotide‐doped PAAm hydrogel with a reversible noncovalent interaction network is harnessed as the flexible substrate to assemble the aerogel/hydrogel hybrid sensor and overcome sensing saturation under extreme pressures. This highly stretchable and self‐healable hybrid polymer sensor exhibits linear response with high sensitivity (Smin > 1.1 kPa−1), ultrabroad sensing range (0.12–≈400 kPa), and stable sensing performance over 10 000 cycles at the pressure of 150 kPa, making it an ideal sensing device to monitor pressures from human physiological signals to significant stress exerted by vehicles.
Plasmonic 3D Self‐Folding Architectures via Vacuum Microforming
Authors: Yu Ye , Lorenz Pierre , Strobel Carsten , Zajadacz Joachim , Albert Matthias , Zimmer Klaus , Kirchner Robert 
Published: December 2021

Abstract3D self‐folding microarchitectures have been studied enormously since the past decade, because of the potential of utilizing the third dimension to reach a new level of device integration. However, incorporating various functionalities is a great challenge, due to the limited folding force and choice of materials. In particular, self‐folding microarchitectures with advanced optical properties have yet to be demonstrated. Here, a unique folding technique is developed, namely vacuum microforming, successfully demonstrating the self‐folding of microcubes that can be completed within 30 ms, a few orders of magnitudes faster as compared to various established strategies reported so far. Simultaneously, a metal–insulator–metal (MIM) plasmonic nanostructure is fabricated, invoking strong gap plasmon to obtain a wide and robust angle‐independent optical behavior and high environmental sensitivity that is close to the theoretical limit. It is successfully proven that such superb plasmonic properties are well preserved in 3D architectures throughout the folding process. The nanofabrication method together with the self‐folding strategy not only provide the fastest folding process so far, compatible for high‐volume fabrication, but also create new opportunities in integrating various functionalities, more specifically, optical properties for untethered optical sensing and identification.
Experimental and numerical study of the flexural capacity of reinforced concrete Vierendeel beams
Authors: Lu Hongna , Zhang Huagang , Ma Kejian , Li Li , Chen Hongniao , Wu Qin , Jiang Lan 
Published: December 2021

SummaryA reinforced concrete vierendeel beam (RCVB) is an open‐web structure formed by connecting the top and bottom chords through block‐shaped shear keys. In this study, the static load test was applied to understand the failure state and reinforcement ratios relationship with bending capacity of RCVBs. The results reveal that numbers of horizontal cracks appeared in the chord‐key node area of the bending‐shear section. The deflection development of specimens experienced elastic, elastic–plastic, and plastic stages. The failure of the beam was controlled by the deflection and the ultimate load increased with the reinforcement ratio. A combined model for calculating the bending capacity of the top chords under eccentric compression and the bottom chords under axial tension is proposed. With the measured strains the loading coefficient of the beams are 1.15–1.20. According to the Chinese code, the continuous loading after the longitudinal reinforcement of the bottom chord yielding can make the top chord concrete reach the ultimate compressive strain, and the loading coefficient of the beams are 1.1–1.2. Therefore, the proposed model and formulas can effectively calculate the flexural bearing capacity of RCVBs. The finite element analysis results further indicate that the proposed calculation model and algorithm are appropriate.
Resurrecting Science Education by Re-Inserting Women, Nature, and Complexity
Authors: Gilbert Jane 
Published: December 2021

AbstractThe development of capitalism and then science over the last 500 years or so has produced a very specific way of organising the relations between humans and the rest of nature. Both depend on excluding—and “cheapening”—women, nature, and complexity. This chapter argues that surviving the crisis of the Anthropocene requires us to do the very difficult work of bringing these excluded categories back in to science and science education, at the conceptual level at which they are excluded. The case is made for deconstruction as a framework for envisaging—and resurrecting—science education for the Anthropocene. Drawing on the work of Luce Irigaray, the chapter outlines a pedagogy involving a three-level, deconstructive reading of science texts that is designed to open spaces for thinking “other”-wise. It argues that, in the current context, unlike business-as-usual science education, this approach is genuinely “educative.”
Introduction
Authors: Oehl Maximilian Eduard 
Published: December 2021

AbstractToday, we are living in a world of globalised markets. Close to no value creation would be possible without the use of natural resources, more precisely primary commodities. The Sustainable Development (SD) agenda has become the universally accepted political agenda of our time. In view of the important challenges for global resource management, which will be elucidated throughout the course of this book, the field of Global Commodity Governance (GCG) has emerged over the past two decades. It describes a new turn in human history: towards a coordinated, transnational approach to regulating the complexities of commodity activity.
Symmetric space λ-model exchange algebra from 4d holomorphic Chern-Simons theory
Authors: Schmidtt David M. 
Published: December 2021

Abstract
We derive, within the Hamiltonian formalism, the classical exchange algebra of a lambda deformed string sigma model in a symmetric space directly from a 4d holomorphic Chern-Simons theory. The explicit forms of the extended Lax connection and R-matrix entering the Maillet bracket of the lambda model are explained from a symmetry principle. This approach, based on a gauge theory, may provide a mechanism for taming the non-ultralocality that afflicts most of the integrable string theories propagating in coset spaces.