bluuebunny/crossref_metadata_2025 huggingface dataset:
Supramolecular assemblies of polybenzimidazole and aromatic polycarboxylic acids with superior mechanical and H2/CO2 separation properties
Authors: Hu Leiqing , Bui Vinh T. , Fan Shouhong , Guo Wenji , Pal Sankhajit , Ding Yifu , Lin Haiqing
Published: April 2022

Polybenzimidazole is doped with aromatic polycarboxylic acids to form supramolecular assemblies achieving strong size-sieving ability and thus high H2/CO2 selectivity.
MoO3-modified SAPO-34 for photocatalytic nonoxidative coupling of methane
Authors: Pan Lihan , Wu Shiqun , Huang Zhan , Zhang Shengwei , Wang Lingzhi , Zhang Jinlong
Published: April 2022

The synergistic effect of the acidity of SAPO-34 and metal-centered sites of MoO3 enhanced the activation of the C–H bond. Regulating the formation of catalytic sites and the acidity of catalysts are critical to improving the activity and stability.
Highly clean and efficient iron phosphates modified by Ru nanocrystals for water oxidation
Authors: Jiang Min , Hu Xiaoyue , Tan Pengfei , Pan Jun
Published: April 2022

This work innovatively fabricates iron-rich phosphates and Ru–O–P heterostructures to improve the electrocatalytic properties towards the oxygen evolution reaction.
Crystal lattice engineering in a screw-dislocated ZnO nanocone photocatalyst by carbon doping
Authors: Louis Jesna , Padmanabhan Nisha T. , Jayaraj Madambi K. , John Honey
Published: April 2022

Solar light driven photocatalytic degradation of methylene blue using carbon doped ZnO nanostructures.
The consistent behavior of negative Poisson's ratio with interlayer interactions
Authors: Wang Yancong , Yu Linfeng , Zhang Fa , Chen Qiang , Zhan Yuqi , Meng Lingwei , Zheng Xiong , Wang Huimin , Qin Zhenzhen , Qin Guangzhao
Published: April 2022

Our study performed a comprehensive investigation of the Negative Poisson's ratio (NPR) considering the effect of interlayer interactions in multi-layers and heterostructures, where the physical origins are revealed from the view of the electronic orbitals.
Back electron transfer rates determine the photoreactivity of donor–acceptor stilbene complexes in a macrocyclic host
Authors: Eckdahl Christopher T. , Ou Carrie , Padgaonkar Suyog , Hersam Mark C. , Weiss Emily A. , Kalow Julia A.
Published: April 2022

We investigated the photochemistry of ternary complexes of a cucurbit[8]uril host and donor–acceptor stilbene guests. We found that slow back electron transfer rates allow [2 + 2] photocycloadditions to proceed after photoinitiated charge transfer.
Palladium-catalyzed three-component 1,4-aminoarylation of [60]fullerene with aryl iodides and N-methoxysulfonamides, and further transformations
Authors: Su Yi-Tan , Yin Zheng-Chun , Wang Guan-Wu
Published: April 2022

The palladium-catalyzed three-component 1,4-aminoarylation of [60]fullerene afforded 1,4-(aryl)(sulfonamide)[60]fullerenes, of which the sulfonamide group could be replaced by a (hetero)aryl, malonate ester or allyl group in the presence of FeCl3.
Modular construction of functionalized anilines via switchable C–H and N-alkylations of traceless N-nitroso anilines with olefins
Authors: Ouyang Wensen , Liu Bairong , He Yi , Wen Yanmei , Gao Yang , Huo Yanping , Chen Qian , Li Xianwei
Published: April 2022

Switchable C–H or N-alkylations of N-nitroso anilines with olefins.
Effects on the crystallization behavior and biocompatibility of poly(LLA-ran-PDO-ran-GA) with poly(d-lactide) as nucleating agents
Authors: Fan Tiantang , Qin Jingwen , Dong Fen , Meng Xiao , Li Yanqi , Wang Ying , Liu Qing , Wang Guannan
Published: April 2022

Sc-PLA crystals in the PLPG/PDLA blends were formed by hydrogen bond between PDLA and PLLA segments, which enhance the crystallization ability of PLLA in the PLPG matrix by decreasing the activation free energy.
5-Arylidene-1,3-dialkylbarbituric acid derivatives as efficient corrosion inhibitors for carbon steel in molar hydrochloric acid solution
Authors: Abd El-Khalek Khaled M. , Shalabi Kamal , Ismail Mohamed A. , Fouda Abd El-Aziz S.
Published: April 2022

The inhibiting impact of two 5-arylidene barbituric acid derivatives on the corrosion of carbon steel has been examinedviathe weight loss method, potentiodynamic polarization, electrochemical impedance spectroscopy, and electrochemical frequency modulation tests.
High capacity all-solid-state lithium battery enabled by in situ formation of an ionic conduction path by lithiation of MgH2
Authors: Inoishi Atsushi , Sato Hiroki , Chen Yixin , Saito Hikaru , Sakamoto Ryo , Sakaebe Hikari , Okada Shigeto
Published: April 2022

MgH2 electrode in an all-solid-state battery reversibly operated without solid electrolyte in the electrode mixture.
Rational design of a graphitic carbon nitride catalytic–biocatalytic system as a photocatalytic platform for solar fine chemical production from CO2
Authors: Singh Satyam , Yadav Rajesh K. , Kim Tae Wu , Singh Chandani , Singh Pooja , P. Singh Atul , Singh Alok Kumar , Singh Atresh Kumar , Baeg Jin-Ook , Gupta Sarvesh Kumar
Published: April 2022

We report that generating (formic acid) and regenerating (NADH/NADPH) from CO2 and NAD+/NADP+ using a nitrogen-rich polymeric carbon nitride catalytic–biocatalytic system under solar light (λ > 420 nm) could provide a new approach for storage of clean energy.
New nonflammable tributyl phosphate based localized high concentration electrolytes for lithium metal batteries
Authors: Feng Xuanjie , Zhang Zhen , Li Rui , Xiong Weihan , Yu Bo , Wang Mingshan , Chen Junchen , Ma Zhiyuan , Guo Bingshu , Huang Yun , Li Xing
Published: April 2022

A new tributyl phosphate based nonflammable localized high concentration electrolyte exhibits good electrochemical performance.
Shape instabilities of islands in smectic films under lateral compression
Authors: Missaoui Amine , Harth Kirsten , Trittel Torsten , Klopp Christoph , Stannarius Ralf , Lacaze Emmanuelle
Published: April 2022

Freely suspended smectic liquid-crystal films are quasi-2D fluids, but under certain conditions, they behave like thin solid sheets.
Magnetic single-layer nanoribbons of manganese oxide: edge- and width-dependent electronic properties
Authors: Sozen Yigit , Topkiran Ugur C. , Sahin Hasan
Published: April 2022

The structural, magnetic, and electronic properties of the two- and one-dimensional honeycomb structures of recently synthesized MnO are investigated by using first-principles calculations.
Bi2Te3-based wearable thermoelectric generator with high power density: from structure design to application
Authors: Yuan Xiong , Li Zhenming , Shao Yuying , Yang Dongwang , Hu Kai , You Han , Xu Zhuoming , Hua Siheng , Liu Wei , Peng Peng , Yan Yonggao , Tang Xinfeng
Published: April 2022

For the optimized TEG, heat collection with a copper film at the skin end and a copper foam heat sink at the air end were installed to improve the power generation performance of the TEG. When the wearer is running outdoors, the power density is 138.46 μW cm−2.
Stochastic peer to peer energy trading among charging station of electric vehicles based on blockchain mechanism
Authors: Salmani Hossein , Rezazade Alireza , Sedighizadeh Mostafa
Published: April 2022

Fossil‐fuelled vehicles are being replaced by electric vehicles (EVs) around the world due to environmental pollution and high fossil fuel price. On the one hand, the electrical grid is faced with some challenges when too many EVs are improperly integrated. On the other hand, using massive unexploited capacity of the battery storage in too many EVs makes these challenges to opportunities. This unused capacity can be employed for the grid ancillary services and trading peer‐to‐peer (P2P) energy. However, the preference of EV users is one of the most important factors, which has to be considered within the scheduling process of EVs. Therefore, this paper proposes a stochastic model for EVs bidirectional smart charging taking into account the preferences of EV users, P2P energy trading, and providing ancillary services of the grid based on blockchain mechanism. Considering the preferences of EV users makes the proposed scheduling model adaptive against changing operating conditions. The presented model is formulated as an optimisation problem aiming at optimal management of EV battery state of charge and energy placement of several services considering the provision of ancillary services and contributing to P2P transactions. To evaluate the proposed model, real‐world data collected from Tehran city are used as input data of simulation. Numerical results demonstrate the efficacy of the presented model. Simulation results show that considering the preferences of EV users in the proposed model can enhance the total income provided by the EV energy‐planning model such that it could balance the charging cost. Moreover, this advanced user‐based smart charging model increases P2P energy transactions amongst EVs and raises the ancillary services facility to the grid.
Active power decoupling for differential boost inverter with linear and nonlinear loads using inverse model approach
Authors: Gholizade‐Narm Hossein , Tahani Vahid
Published: April 2022

In this paper, a novel control system structure is introduced for generating a sinusoidal wave on the differential boost inverter terminals using inverse model approach. To address the high‐frequency resonance issues, an active damping technique is proposed. Proportional‐resonant controllers are designed for tracking and harmonic rejection. Pulling direct and constant current from photovoltaic panels as the DC source is essential in maximum power point tracking. Therefore, a decoupling controller is utilised to suppress current oscillations. An innovative combination of tracking controller, harmonic rejector, and decoupling controller is proposed in order to provide a sinusoidal voltage output for linear and nonlinear loads with low total harmonic distortion. The proposed method reduces the number of controllers by half compare to conventional methods. In addition to simulation, experimental results show the effectiveness of the proposed method.
Evidence for thermokarst depressions on comet 67P/Churyumov-Gerasimenko: An interplanetary comparison
Authors: Bouquety A. , Groussin O. , Jorda L. , Séjourné A. , Costard F. , Bouley S.
Published: April 2022

Aims. The nucleus of comet 67P/Churyumov-Gerasimenko (67P) is ice rich and shows evidence of morphologies driven by sublimation processes. In particular, the fine-particle deposits (FPD) that cover its surface reveal depressions of many tens of meters. A detailed analysis of these morphologies and of the properties of the fine-particle deposits could help to constrain the amount of water ice in the subsurface. The aim of this paper is to characterize these depressions and constrain their formation and evolution by a detailed quantitative study of their morphometry and thermal environment, and through a comparison with similar morphologies on Earth and Mars.

Methods. To study the cometary depressions, we constructed a database of morphometrical parameters for 131 depressions on 67P, 50 alases on Earth, and 200 scalloped depressions on Mars. We measured these parameters manually with the ArcGIS software. We used the images of the Narrow Angle Camera for 67P (down to a resolution of 1 m pixel−1), of the USGC-Digital Orthophoto Quadrangle for the Earth (5 m pixel−1), and of the High Resolution Imaging Science Experiment for Mars (25 cm pixel−1). We also used the digital elevation models associated with these images. In addition, we performed a study of the thermal environment of each depression on 67P to estimate the maximum temperature, the total erosion, and the total energy received from the Sun during one revolution. The morphometrical and thermal environment parameters were then used together for a comparative study of the depressions on 67P, the Earth, and Mars.

Results. Our results show that depressions on 67P are geological analogs to alases on Earth and scalloped depressions on Mars; we call them cometary thermokarst depressions. They have been formed by a thermokarst process (i.e., permafrost thawing that causes a subsidence) triggered by water-ice sublimation. The cometary thermokarst depressions on 67P are distributed throughout the nucleus, without preferential distribution for a particular hemisphere or region. They are exclusively located in the fine-particle deposit layer, which is a few meters thick and is thought to have to contain a volume fraction of water ice of about 50% for the subsidence to occur. The formation and evolution of the depressions is driven by the Sun; the side facing the dominant insulation is the preferential direction of erosion. Our results contribute to a better understanding of the periglacial system on comet 67P and of the erosion processes on the nucleus.
Electromyographic and Clinical Investigation of the Effect of Platelet-Rich Plasma on Peripheral Nerve Regeneration in Patients with Diabetes after Surgery for Carpal Tunnel Syndrome
Authors: Yasak Tuğçe , Özkaya Özay , Ergan Şahin Ayça , Çolak Özlem
Published: April 2022

Background Carpal tunnel syndrome (CTS) is the most common entrapment neuropathy. Studies have shown that results of CTS surgery are poorer in patients with diabetes. In this study, the effect of platelet-rich plasma (PRP) on nerve regeneration was investigated through clinical and electromyographic findings in patients with diabetes who underwent CTS surgery.

Methods A retrospective analysis of 20 patients with diabetes who had surgically decompressed CTS was conducted. Patients were divided into two groups. The study group received PRP treatment following surgery. The control group did not receive any treatment. Patients were assessed using electromyography and the Boston Carpal Tunnel Syndrome Questionnaire preoperatively as well as postoperatively at 3-month, 6-month, and 1-year follow-ups visits.

Results There was a decrease in complaints and an improvement in sensory and motor examinations in both groups. The Boston Carpal Tunnel Syndrome Questionnaire scores did not show any statistically significant differences between the two groups. However, electromyographic findings showed that there were statistical differences between preoperative and postoperative (3 months, 6 months, and 1 year) results in both groups. When the two groups were compared using preoperative and postoperative (3 months, 6 months, and 1 year) electromyographic values, no statistically significant differences were seen.

Conclusion Single injections of PRP did not have a significant impact on median nerve regeneration following CTS surgery in patients with diabetes. The effectiveness of multiple PRP injections can be investigated in patients with diabetes in future studies.
Novel Three-Dimensional Knitted Fabric for Pressure Ulcer Prevention: Preliminary Clinical Application and Testing in a Diabetic Mouse Model of Pressure Ulcers
Authors: Kim Sungae , Hong Jamin , Lee Yongseong , Son Daegu
Published: April 2022

Background Population aging has led to an increased incidence of pressure ulcers, resulting in a social burden and economic costs. We developed a three-dimensional knitted fabric (3-DKF) with a pressure-reducing function that can be applied topically in the early stages of pressure ulcers to prevent progression.

Methods We evaluated the effects of the 3-DKF in a streptozotocin-induced diabetes mellitus pressure ulcer mouse model, and the fabric was preliminarily applied to patients. Twelve-week-old male C57BL/6 mice were used for the animal experiments. In the pressure ulcer mouse model, an ischemia-reperfusion injury was created using a magnet on the dorsa of the mice. Pressure was measured with BodiTrak before and after applying the 3-DKF to 14 patients at risk of sacral pressure ulcers.

Results In the 3-DKF-applied mice group, the ulcers were shallower and smaller than those in the control group. Compared with the mice in the control group, the 3-DKF group had lower platelet-derived growth factor-α and neutrophil elastase expression, as parameters related to inflammation, and increased levels of transforming growth factor (TGF)-β1, TGF-β3, proliferating cell nuclear antigen, and α-smooth muscle actin, which are related to growth factors and proliferation. Additionally, typical normal tissue staining patterns were observed in the 3-DKF group. In the preliminary clinical analysis, the average skin pressure was 26.2 mm Hg before applying the 3-DKF, but it decreased to an average of 23.4 mm Hg after 3-DKF application.

Conclusion This study demonstrated that the newly developed 3-DKF was effective in preventing pressure ulcers through testing in a pressure ulcer animal model and preliminary clinical application.
Developmental Changes in Aural Acoustic Admittance Measurements
Authors: De Chicchis Albert R. , Todd N. Wendell , Nozza Robert J.
Published: April 2022

Tympanometry is a clinical measurement routinely included in the assessment of middle ear function. Despite its widespread use, however, fundamental questions remain regarding the need for age-dependent normative data. This study examines normal developmental changes associated with four tympanometric measurements: (1) ear canal volume, (2) peak compensated acoustic admittance, (3) tympanometric width, and (4) tympanometric peak pressure. Of 221 infants and children, aged 6 months to 5 years, enrolled in this study, 99 met the criteria for normal middle ear function as determined via pneumatic tympanoscopy by an experienced pediatric otolaryngologist, and data analysis was confined to those 99 volunteers. Analysis of variance revealed statistically significant main effects showing increases in ear canal volume and peak compensated acoustic admittance and decreases in tympanometric width as age increased. Statistically significant differences were not achieved for tympanometric peak pressure. Although statistically significant differences were found, the differences were small and of questionable clinical significance.

Abbreviations: HSD = Honestly Significant Difference test, TPP = tympanometric peak pressure, TW = tympanometric width, Veq = equivalent volume, Ytm = peak compensated acoustic admittance
BPNN and CNN-based AI modeling of spreading and icing pattern of a water droplet impact on a supercooled surface
Authors: Yang Song , Hou Yu , Shang Yuheng , Zhong Xin
Published: April 2022

A water droplet impacting on a supercooled surface normally experiencing spreading and freezing is a complex process involving fluid flow, heat transfer, and phase change. We established two models to, respectively, predict the spreading dynamics of a water droplet impact on a supercooled surface and classify the icing patterns to predict the corresponding surface supercooling degree. Six important factors are used to characterize droplet spreading, including Reynolds number, Weber number, Ohnesorge number, surface supercooling degree, the maximum spreading factor, and the dimensionless maximum spreading time. A Back Propagation Neural Network model, including four inputs and two outputs, is established, containing a hidden layer with 15 neurons to perform the non-linear regression training on the spreading factors of 778 groups of an impact water droplet. The trained model is adopted to predict the spreading factors of 86 groups of a water droplet impact on the supercooled surface. The second model is developed to discern and classify the experimentally captured three different icing patterns. Different clustering methods are performed on 116 icing images, including gray-scale and red-green-blue (RGB) clustering. Then, two convolution neural network models of VGG-19 (Visual Geometry Group-19) and VGG-16 are established to classify, train, and test the icing images by gray-scale and RGB clustering methods. The K = 2 gray-scale clustering and the VGG-19 model exhibits the highest accuracy at 90.57%. The two models developed in this study can, respectively, predict the essential factors characterizing spreading dynamics of an impact droplet on a cold surface and predict surface supercooling degree based on an icing pattern.
Elastic property of sickle and normal hemoglobin protein: Molecular dynamics
Authors: Powrel Jhulan , Adhikari Narayan Prasad
Published: April 2022

This work focuses on identifying the conformational stability and binding components in sickle and normal hemoglobin to explore the elastic properties and realize the stiffness by using molecular dynamics simulation. Our investigation shows that a larger force is required to separate the beta chain of normal hemoglobin in comparison to the sickle hemoglobin by using steered molecular dynamic. In sickle hemoglobin protein (HbS), the hydrogen bond binding force of the beta chain is 7073.74–12 646.80 pN for pulling velocities of 0.000 20–0.000 40 nm/ps with the spring constant of 800 kcal mol−1 nm−2. Similarly, in normal hemoglobin protein, the hydrogen bond binding force in the beta chain ranges from 12 005.00 to 17 753.70 pN for the same values of pulling velocities and spring constant. This indicates that the normal hemoglobin is stiffer than sickle hemoglobin. We have also analyzed the solvent accessible surface area (SASA) of both proteins, and our investigation shows that the SASA of normal hemoglobin is much less than that of sickle hemoglobin because of the sickled structure of HbS. We have also studied the van der Waals (vdW), electrostatic, hydrophobic, and salt bridge interactions in both kinds of hemoglobin. The sum of vdW, electrostatics, and hydrophobic interactions in HbS is higher, whereas salt bridge interactions are found lower in sickle normal hemoglobin proteins than in normal hemoglobin protein.
Prime factorization using coupled oscillators with positive feedback
Authors: Balinskiy Michael , Khitun Alexander
Published: April 2022

Prime factorization is a procedure of determining the prime factors of a given number N that requires super-polynomial time for conventional digital computers. In this work, we describe an approach to prime factorization using coupled oscillators with positive feedback. The approach includes several steps, where some of the steps are accomplished on a general type computer, and some steps are accomplished using coupled oscillators. We present experimental data on finding the primes of N = 817. The experiment is performed on a system of two coupled active ring oscillators. Each of the oscillators possesses its own set of eigenfrequencies that can be independently controlled by the external phase shifter. The coupling allows us to check on any common frequency that leads to the phase lock-in and power increase in the circuit. One of the ring oscillators includes a spin wave magnetic delay line made of Y3Fe2(FeO4)3, while the second oscillator includes an ordinary coaxial cable as a delay line. There are 22 eigenfrequencies for the spin wave oscillator and 4 eigenfrequencies for the oscillator with coaxial cable in the frequency band of operation. It takes less than 10 μs for the system to find the common frequency (if any). The most appealing property of the proposed circuit is that the processing time does not scale with the number of eigenfrequencies. Potentially, circuits with coupled active ring oscillators can be utilized to solve a variety of computational problems.
Stem functional traits vary among co-occurring tree species and forest vulnerability to drought
Authors: Matusick George , Ruthrof Katinka X. , Hardy Giles E. S. J.
Published: April 2022

Context Stem functional traits are critical for tree hydraulic infrastructure and have important consequences for forest function, particularly concerning vulnerability to drought. Methods Three stem traits, sapwood area, heartwood area, and bark area, were measured in two co-dominant forest species, Eucalyptus marginata Donn. Ex. Sm. and Corymbia calophylla (Lindl.) K.D.Hill & L.A.S.Johnson, in forest patches with low and high vulnerabilities to drought in south-western Australia. Patches of high drought vulnerability experienced die-off during a heatwave and drought in 2011, while patches of low vulnerability were largely not affected. Key results Sapwood area was significantly higher in C. calophylla than in E. marginata, and C. calophylla maintained more sapwood per unit DBH than did E. marginata, especially in larger trees. There was a 29% smaller sapwood area in high drought-vulnerability patches than in low drought-vulnerability patches (including both species). The relationship between sapwood area and DBH varied by tree size. Small trees had a greater sapwood area in high drought-vulnerable patches, whereas larger trees had more sapwood in low drought-vulnerable patches. It is unclear whether sapwood area relationships reflect differences in leaf area or tree age. Conclusions Observed differences in sapwood between species may help explain their differential tolerance to drought, whereas differences between drought-vulnerability sites may suggest adaptation in the studied species. Implications Understanding the traits associated with drought vulnerability will increase our prediction of forest response to drying and warming. Strong relationships between stem traits and DBH, developed here, may help future efforts to model water-use in the Northern Jarrah Forest.
Human HELB is a processive motor protein that catalyzes RPA clearance from single-stranded DNA
Authors: Hormeno Silvia , Wilkinson Oliver J. , Aicart-Ramos Clara , Kuppa Sahiti , Antony Edwin , Dillingham Mark S. , Moreno-Herrero Fernando
Published: April 2022

Significance

Single-stranded DNA (ssDNA) is a key intermediate in many cellular DNA transactions, including DNA replication, repair, and recombination. Nascent ssDNA is rapidly bound by the Replication Protein A (RPA) complex, forming a nucleoprotein filament that both stabilizes ssDNA and mediates downstream processing events. Paradoxically, however, the very high affinity of RPA for ssDNA may block the recruitment of further factors. In this work, we show that RPA–ssDNA nucleoprotein filaments are specifically targeted by the human HELB helicase. Recruitment of HELB by RPA–ssDNA activates HELB translocation activity, leading to processive removal of upstream RPA complexes. This RPA clearance activity may underpin the diverse roles of HELB in replication and recombination.
COVID-19 therapeutics: Challenges and directions for the future
Authors: Robinson Philip C. , Liew David F. L. , Tanner Helen L. , Grainger John R. , Dwek Raymond A. , Reisler Ronald B. , Steinman Lawrence , Feldmann Marc , Ho Ling-Pei , Hussell Tracy , Moss Paul , Richards Duncan , Zitzmann Nicole
Published: April 2022

The emergence of SARS-CoV-2 triggering the COVID-19 pandemic ranks as arguably the greatest medical emergency of the last century. COVID-19 has highlighted health disparities both within and between countries and will leave a lasting impact on global society. Nonetheless, substantial investment in life sciences over recent decades has facilitated a rapid scientific response with innovations in viral characterization, testing, and sequencing. Perhaps most remarkably, this permitted the development of highly effective vaccines, which are being distributed globally at unprecedented speed. In contrast, drug treatments for the established disease have delivered limited benefits so far. Innovative and rapid approaches in the design and execution of large-scale clinical trials and repurposing of existing drugs have saved many lives; however, many more remain at risk. In this review we describe challenges and unmet needs, discuss existing therapeutics, and address future opportunities. Consideration is given to factors that have hindered drug development in order to support planning for the next pandemic challenge and to allow rapid and cost-effective development of new therapeutics with equitable delivery.
Some linguistic features of the physical sciences research article before, during and after the First World War
Authors: Banks David
Published: April 2022

Previous studies suggest that in times of great turbulence scientific writing becomes more conservative. In order to see whether this is true of the period of the First World War, a sample of research articles in the field of the physical sciences for the years 1900, 1910, 1920 and 1930 was studied. Features relating to process types, passives, first person pronouns, themes and nominalisation were considered. This showed that while there was little evidence for the initial conjecture, it was frequently the case that the direction of change altered during the period 1910 to 1920. This change was often maintained in the following decade. Thus, there are significant changes occurring in the period 1910 to 1920 which warrant further study.
Driving mechanisms for decoupling CO
2
emissions from economic development in the ten largest emission countries
Authors: Chen Chunci , Lu Yonglong , He Guizhen
Published: April 2022

The significant contribution to CO
2
emissions includes historically cumulative emissions in the United States, Russia, Japan, South Korea, and Germany, as well as the current increase in emerging economies, such as China, India, Iran, Indonesia, and Saudi Arabia, which contribute 68% of global emissions. Therefore, it is important to measure changes in CO
2
emissions and driving mechanisms in these countries. This study used the LMDI and STIRPAT model to explore driving mechanisms for decoupling CO
2
emissions from economic growth in the 10 largest emission countries based on the World Bank and International Energy Agency databases. The results showed that CO
2
emissions have tripled in these countries over the last 55 years, driven primarily by economic growth (+170%) and population growth (+41%), whereas a decline in energy intensity (−87%) and carbon intensity (−24%) slowed the growth of CO
2
emissions over most of the period. In China, the United States, and India, significant increases in CO
2
emissions were associated with
population and economic growth. Intensity effects were prominent in emission reductions in China, the United States, Germany, Japan, and Russia. Overall, the developed countries except for South Korea showed strong decoupling relationships, whereas six developing countries were weak in decoupling.
Analyzing the effect of chirality and defects on mechanical properties of carbon nanotube reinforced polycarbonate composites using molecular dynamics
Authors: Sharma Nikshunj , Sharma Sumit
Published: April 2022

This study is mainly focused on predicting the impact of change in chirality and defects in carbon nanotubes (CNTs) on the mechanical properties of CNT reinforced polycarbonate (PC) composites using molecular dynamics (MD) simulations. The effect of single-walled carbon nanotube (SWCNT) reinforcement with different chirality, [three armchair {(5,5), (6,6), (7,7)}, three zigzag {(9,0), (10,0), (12,0)}, and three chiral {(6,4), (7,5), (8,6)}] in PC has been studied using MD simulation. Also, the effect of vacancy and Stone–Wales (SW) defects in CNTs on the mechanical properties of SWCNT-PC composites has also been predicted. It was concluded that for a constant CNT volume fraction (3%), the longitudinal Young’s modulus of armchair SWCNT-PC composites decreases with an increase in (n, n) value by 35.65%. For zigzag and chiral SWCNT-PC composites, the decrease in Young’s modulus was 53.12% and 36% respectively. Vacancy defected SWCNT-PC composites exhibited greater reduction in Young’s modulus in comparison to the SW defected composites. Chiral SWCNT-PC composites showed the highest reduction in Young’s modulus with an increase in the number of defects.
Omnidirectional and broadband photon harvesting in self-organized Ge columnar nanovoids
Authors: Chowdhury Debasree , Mondal Shyamal , Secchi Maria , Giordano Maria Caterina , Vanzetti Lia , Barozzi Mario , Bersani Massimo , Giubertoni Damiano , Buatier de Mongeot Francesco
Published: April 2022

Highly porous Germanium surfaces with uniformly distributed columnar nanovoid structures are fabricated over a large area (wafer scale) by large fluence Sn+ irradiation through a thin silicon nitride layer. The latter represents a one-step highly reproducible approach with no material loss to strongly increase photon harvesting into a semiconductor active layer by exploiting the moth-eye antireflection effect. The ion implantation through the nitride cap layer allows fabricating porous nanostructures with high aspect ratio, which can be tailored by varying ion fluence. By comparing the reflectivity of nanoporous Ge films with a flat reference we demonstrate a strong and omnidirectional reduction in the optical reflectivity by a factor of 96% in the selected spectral regions around 960 nm and by a factor of 67.1% averaged over the broad spectral range from 350 to 1800 nm. Such highly anti-reflective nanostructured Ge films prepared over large-areas with a self-organized maskless approach have the potential to impact real world applications aiming at energy harvesting.
Nonlinear gyrokinetic predictions of SPARC burning plasma profiles enabled by surrogate modeling
Authors: Rodriguez-Fernandez P. , Howard N.T. , Candy J.
Published: April 2022

Multi-channel, nonlinear predictions of core temperature and density profiles are performed for the SPARC tokamak (Creely et al 2020 J. Plasma Phys.
86 865860502) accounting for both kinetic neoclassical and fully nonlinear gyro-kinetic turbulent fluxes. A series of flux-tube, nonlinear, electromagnetic simulations using the CGYRO code (Candy et al 2016 J. Comput. Phys.
324 73–93) with six gyrokinetic species are coupled to a nonlinear optimizer using Gaussian process regression techniques. The simultaneous evolution of energy sources, including alpha heat, radiation, and energy exchange, coupled with these high fidelity models and techniques, leads to a converged solution in electron temperature, ion temperature and electron density channels with a minimal number of expensive gyrokinetic simulations without compromising accuracy.
Critical role of current-driven instabilities for ELMs in NSTX
Authors: Kleiner A. , Ferraro N.M. , Canal G. , Diallo A. , Maingi R.
Published: April 2022

The impact of different extended-magnetohydrodynamic (MHD) contributions on the stability thresholds of peeling-ballooning modes in ELMing and ELM-free plasmas in the spherical tokamak NSTX is investigated with the initial value code M3D-C1. We show that ELMing discharges in NSTX are limited by resistive current-driven peeling modes, whereas non-ELMing wide-pedestal H-mode discharges are located near the ideal pressure-driven ballooning threshold. It is demonstrated that extended-MHD can lead to more reliable edge stability predictions than existing ideal-MHD models. Resistive peeling-ballooning modes are found to exist well before the ideal stability threshold is met, and kink-peeling modes exhibit considerable sensitivity to plasma resistivity. Other effects not considered in ideal-MHD models affect PB modes in NSTX in a weaker way. Gyroviscous stress appears stabilizing such that the stability boundary lies closer to the experimental point. Equilibrium rotation can suppress ideal core modes and thus isolate edge modes. These results are important for the development of a predictive pedestal model for low-aspect ratio tokamaks.
Simulating Met-Enkephalin With Population Annealing Molecular Dynamics
Authors: Christiansen Henrik , Weigel Martin , Janke Wolfhard
Published: April 2022

Met-enkephalin, one of the smallest opiate peptides and an important neuro-transmitter, is a widely used benchmarking problem in the field of molecular simulation. Through its range of possible low-temperature conformations separated by free-energy barriers it was previously found to be hard to thermalize using straight canonical molecular dynamics simulations. Here, we demonstrate how one can use the recently proposed population annealing molecular dynamics scheme to overcome these difficulties. We show how the use of multi-histogram reweighting allows one to accurately estimate the density of states of the system and hence derive estimates such as the potential energy as quasi continuous functions of temperature. We further investigate the free-energy surface as a function of end-to-end distance and radius-of-gyration and observe two distinct basins of attraction.
Crossover from intrinsic to extrinsic magneto transport in La1-xPbxMnO3 perovskite systems
Authors: Sravan Kumar M , Bala Bhaskar P , Narsinga Rao G , Suresh Babu D.
Published: April 2022

The intrinsic to extrinsic magneto transport of Pb doping and intermediate grinding on transport as well as magnetic properties in La1-xPbxMnO3 (x = 0, 0.15, 0.25 and 0.4) has been investigated. Double exchange related electron transport is supposed to prevail in case of highly doped samples whereas spin dependent interfacial tunneling of conduction electrons along with double exchange related electron transport dominate conduction process in case of less Pb substituted samples. It has been shown that with repeated grinding and increase in doping percentage (within the doping limit), it is possible to have relatively narrow grain size distribution, which is a major cause of gradual disappearance of the intergrain interfacial tunneling (extrinsic) resistance leaving only intragrain (intrinsic) transport properties in the high temperature region. At low temperature the existence of spin-glass insulator behaviour were observed, which get stronger with decrease in Pb content. Thus with decrease in Pb doping, it has been possible to generate relatively wide distribution of grain size with probable increase in misorientation angle in the grain boundary region. This reveal a crossover from major intrinsic to combination of extrinsic, intrinsic magnetotransport and spin-glass behaviour.
Amplified spontaneous emission from ZnO nanostructures as scatterers in rhodamine 6G
Authors: Devika K R , Joby Merin , Francis Frincy , Jinsi C P , Issac Riju C , Joseph Santhi Ani
Published: April 2022

Under high power, Nd: YAG 532nm, ns pulsed laser spectral narrowing of an amplified spontaneous emission (ASE) from ZnO nanostructures in rhodamine 6G has been studied. The dependence of emission intensity on excitation power, particle density of ZnO nanostructures, and silica as scatterers show a distinct threshold. The Full width half maximum (FWHM) substantially reduces from 46 nm to 3.16 nm at high excitation power and ZnO-silica scatterer inclusion.
Facile one pot hydrothermal synthesis of reduced graphene oxide-tin disulfide (rGO-SnS2) nanohybrid material and their optical and structural investigation
Authors: Das N S , Chowdhury A , Roy A
Published: April 2022

Here, we follow a simple, cost effective, and environmentally friendly one step hydrothermal method for the synthesis of nanohybrid material reduced graphene oxide-tin disulfide (rGO-SnS2). Herein, the spectroscopic and structural investigation of SnS2 anchored reduced graphene oxide (rGO) such as UV-vis DRS spectroscopy, photoluminescence (PL) spectroscopy, fourier transform infrared spectroscopy (FTIR), and X-ray diffraction (XRD) are studied. A broad peak observes at 365 nm in UV-vis DRS spectra. Optical band gap energy is calculated using Tauc’s plot and the estimated values are 1.96 and 3.91 eV, respectively. Functional groups such as Sn-S, Sn-O, C = C,-OH, C-H, C-O are identified using FTIR which attributes to the successful preparation of nanohybrid material. Structural analysis is done using XRD. XRD result confirms the hexagonal phase of the nanohybrid material and the peak at 2θ = 15.19° confirms the characteristics of SnS2 and a small peak at 2θ = 26.03° indicates the existence of carbon. Interplanar spacing is calculated from Bragg’s law. The value is estimated to be 5.82 Å. Average crystallite size of the material is estimated using Scherrer’s formula and the value is found to be 28.16 nm. Strain of the material is calculated from Williamson-Hall plot and the value is estimated to be 0.00086.
Compositions design of Co-Fe-based bulk metallic alloys
Authors: Yu Dechuan , Zhang Wenkai , Zhang Wanshun , Zheng Chongwei
Published: April 2022

Glass forming ability (GFA) is one of the key factors hindering the application of bulk metallic glasses (BMGs). In this paper, a cluster-related method was used to design good glass-formers in the complex Co-Fe-based system. A novel Co-centered Co-Mo binary topologically packed cluster Co-Co8Mo4 with 12-coordination number was found and used. The basic ternary composition in Co-Mo-B system is calculated based on an intersection of cluster lines B-B2Co8 and Co-Co8Mo4. Based on this, a series of novel Co-Fe-based glass-formers with high GFA, were quickly designed using the method of similar element replacement and microalloying. The best glass-former is (Co27.5Fe27.5Mo12.2Cr12.2B16P4.6)98Y2. The source of high GFA of designed glass-formers was also discussed. The results of this paper would offer researchers a novel insight in understanding the source of high GFA of Co/Fe-based system, and lay a solid foundation for exploring Co/Fe-Mo-based glass-formers via newly found Co-Mo binary cluster.
Parameter optimization in hot precision forging process of synchronizer ring based on grey relational analysis and response surface method
Authors: Jia Yanyan , Peng Hemeng , Cao Huajun , Li Li , Yang Jiping
Published: April 2022

In this work, the hot precision forging process was proposed to manufacture the synchronizer ring made of HMn64–8–5–1.5 alloy, and the forming process parameters were optimized. The true stress-strain data of HMn64–8–5–1.5 alloy were obtained through the isothermal compression test. Then, the finite element model of the hot precision forging process of the synchronizer ring was built, and two schemes of the forming process were analyzed and compared. To solve the problems during the hot precision forging process of synchronizer ring, i.e. forging defects, low material utilization and large forming load, a multi-objective optimization method based on grey relational analysis (GRA) and response surface method (RSM) were introduced to optimize the process parameters. As a result, a set of optimal process parameters was determined through the model calculating. Numerical simulation and experiment were carried out to verify the optimal scheme, which was set up based on the obtained optimal process parameters. The results of experimental and numerical simulation have good consistency. The results show that the optimal scheme can ensure product quality, enhance material utilization and reduce forming load.
Ancestry adjustment improves genome-wide estimates of regional intolerance
Authors: Hayeck Tristan J , Stong Nicholas , Baugh Evan , Dhindsa Ryan , Turner Tychele N , Malakar Ayan , Mosbruger Timothy L , Shaw Grace Tzun-Wen , Duan Yuncheng , Ionita-Laza Iuliana , Goldstein David , Allen Andrew S
Published: April 2022

Genomic regions subject to purifying selection are more likely to carry disease-causing mutations than regions not under selection. Cross species conservation is often used to identify such regions but with limited resolution to detect selection on short evolutionary timescales such as that occurring in only one species. In contrast, genetic intolerance looks for depletion of variation relative to expectation within a species, allowing species-specific features to be identified. When estimating the intolerance of noncoding sequence, methods strongly leverage variant frequency distributions. As the expected distributions depend on ancestry, if not properly controlled for, ancestral population source may obfuscate signals of selection. We demonstrate that properly incorporating ancestry in intolerance estimation greatly improved variant classification. We provide a genome-wide intolerance map that is conditional on ancestry and likely to be particularly valuable for variant prioritization.
Reconstructing the Origins of the Somatostatin and Allatostatin-C Signaling Systems Using the Accelerated Evolution of Biodiverse Cone Snail Toxins
Authors: Koch Thomas Lund , Ramiro Iris Bea L. , Flórez Salcedo Paula , Engholm Ebbe , Jensen Knud Jørgen , Chase Kevin , Olivera Baldomero M. , Bjørn-Yoshimoto Walden Emil , Safavi-Hemami Helena
Published: April 2022

Somatostatin and its related peptides (SSRPs) form an important family of hormones with diverse physiological roles. The ubiquitous presence of SSRPs in vertebrates and several invertebrate deuterostomes suggests an ancient origin of the SSRP signaling system. However, the existence of SSRP genes outside of deuterostomes has not been established, and the evolutionary history of this signaling system remains poorly understood. Our recent discovery of SSRP-like toxins (consomatins) in venomous marine cone snails (Conus) suggested the presence of a related signaling system in mollusks and potentially other protostomes. Here, we identify the molluscan SSRP-like signaling gene that gave rise to the consomatin family. Following recruitment into venom, consomatin genes experienced strong positive selection and repeated gene duplications resulting in the formation of a hyperdiverse family of venom peptides. Intriguingly, the largest number of consomatins was found in worm-hunting species (>400 sequences), indicating a homologous system in annelids, another large protostome phylum. Consistent with this, comprehensive sequence mining enabled the identification of SSRP-like sequences (and their corresponding orphan receptor) in annelids and several other protostome phyla. These results established the existence of SSRP-like peptides in many major branches of bilaterians and challenge the prevailing hypothesis that deuterostome SSRPs and protostome allatostatin-C are orthologous peptide families. Finally, having a large set of predator–prey SSRP sequences available, we show that although the cone snail’s signaling SSRP-like genes are under purifying selection, the venom consomatin genes experience rapid directional selection to target receptors in a changing mix of prey.
PDAT regulates PE as transient carbon sink alternative to triacylglycerol in Nannochloropsis
Authors: Yang Juan , Liu Jin , Pan Yufang , Maréchal Eric , Amato Alberto , Liu Meijing , Gong Yangmin , Li Yantao , Hu Hanhua
Published: April 2022

Triacylglycerols (TAGs) are the main storage lipids in photosynthetic organisms under stress. In the oleaginous alga Nannochloropsis oceanica, while multiple acyl CoA:diacylglycerol (DAG) acyltransferases (NoDGATs) are involved in TAG production, the role of the unique phospholipid:DAG acyltransferase (NoPDAT) remains unknown. Here, we performed a functional complementation assay in TAG-deficient yeast (Saccharomyces cerevisiae) and an in vitro assay to probe the acyltransferase activity of NoPDAT. Subcellular localization, overexpression, and knockdown (KD) experiments were also conducted to elucidate the role of NoPDAT in N. oceanica. NoPDAT, residing at the outermost plastid membrane, does not phylogenetically fall into the clades of algae or plants and uses phosphatidylethanolamine (PE) and phosphatidylglycerol with 16:0, 16:1, and 18:1 at position sn-2 as acyl-donors in vivo. NoPDAT KD, not triggering any compensatory mechanism via DGATs, led to an ∼30% decrease of TAG content, accompanied by a vast accumulation of PEs rich in 16:0, 16:1, and 18:1 fatty acids (referred to as “LU-PE”) that was positively associated with CO2 availability. We conclude that the NoPDAT pathway is parallel to and independent of the NoDGAT pathway for oil production. LU-PE can serve as an alternative carbon sink for photosynthetically assimilated carbon in N. oceanica when PDAT-mediated TAG biosynthesis is compromised or under stress in the presence of high CO2 levels.