bluuebunny/crossref_metadata_2025 huggingface dataset:
Children do not distinguish efficient from inefficient actions during observation
Authors: Ossmy Ori , Han Danyang , Kaplan Brianna E. , Xu Melody , Bianco Catherine , Mukamel Roy , Adolph Karen E.
Published: September 2021

Observation is a powerful way to learn efficient actions from others. However, the role of observers’ motor skill in assessing efficiency of others is unknown. Preschoolers are notoriously poor at performing multi-step actions like grasping the handle of a tool. Preschoolers (N = 22) and adults (N = 22) watched video-recorded actors perform efficient and inefficient tool use. Eye tracking showed that preschoolers and adults looked equally long at the videos, but adults looked longer than children at how actors grasped the tool. Deep learning analyses of participants’ eye gaze distinguished efficient from inefficient grasps for adults, but not for children. Moreover, only adults showed differential action-related pupil dilation and neural activity (suppressed oscillation power in the mu frequency) while observing efficient vs. inefficient grasps. Thus, children observe multi-step actions without “seeing” whether the initial step is efficient. Findings suggest that observer’s own motor efficiency determines whether they can perceive action efficiency in others.
Climate change and the increase of human population will threaten conservation of Asian cobras
Authors: Chowdhury Mohammad Abdul Wahed , Müller Johannes , Varela Sara
Published: September 2021

Asian cobras (genus Naja) are venomous snakes distributed from the Middle East to Southeast Asia. Because cobras often live near humans settlements, they are responsible for a large part of snakebite incidents and as such pose a challenge for public health systems. In the light of growing human populations, correctly mapping the present and future ranges of Asian cobras is therefore important for both biological conservation and public health management. Here, we mapped the potential climatic niches of ten Asian cobra species for both the present and the future, with the aim to quantify changes in climate and human population densities relative to their current and future ranges. Our analyses reveal that cobras that are adapted to dry climates and inhabit islands have narrow climatic niches, while those of mainland species with larger geographic ranges are much wider. We also found a higher degree of fragmentation of future cobra distributions; within the next 50 years, Asian cobras will lose an average of around 60% of their current suitable climatic range. In the near future, Naja mandalayensis, N. sputatrix, N. samarensis, and N. philippinensis are likely to have no accessible suitable climate space left. Besides, a further increase of human populations in this region may also exponentially accelerate the effects of anthropogenic impacts. Solutions for conservation may involve awareness and appropriate use of law to overcome the rate of habitat degradation and the increase of animal trade of Asian cobras, while promoting investment on health systems to avoid snakebite fatalities.
Mean heart dose-based normal tissue complication probability model for pericardial effusion: a study in oesophageal cancer patients
Authors: Fukada Junichi , Fukata Kyohei , Koike Naoyoshi , Kota Ryuichi , Shigematsu Naoyuki
Published: September 2021

We investigated the normal tissue complication probability (NTCP) of the incidence of pericardial effusion (PCE) based on the mean heart dose (MHD) in patients with oesophageal cancer treated with definitive chemoradiotherapy. The incidences of PCE in any grade (A-PCE) and symptomatic PCE (S-PCE) were evaluated separately. To identify predictors for PCE, several clinical and dose-volume parameters were analysed using a receiver operating characteristic (ROC) curve and multivariate regression analysis. To validate its clinical applicability, the generated NTCP model was compared to the Lyman–Kutcher–Burman (LKB) model. Among 229 eligible patients, A-PCE and S-PCE were observed in 100 (43.7%) and 18 (7.9%) patients, respectively. MHD showed a preferable area under the curve (AUC) value for S-PCE (AUC = 0.821) and A-PCE (AUC = 0.734). MHD was the only significant predictor for A-PCE; MHD and hypertension were selected as significant factors for S-PCE. The estimated NTCP, using the MHD-based model, showed excellent correspondence to the LKB model in A-PCE and S-PCE. The NTCP curve of A-PCE was gentler than that of S-PCE and had no threshold. The MHD-based NTCP model was simple but comparable to the LKB model for both A-PCE and S-PCE. Therefore, the estimated NTCP may provide clinically useful parameters for predicting PCE.
A standardized extract of Asparagus officinalis stem improves HSP70-mediated redox balance and cell functions in bovine cumulus-granulosa cells
Authors: Ho Khoi Thieu , Homma Kohei , Takanari Jun , Bai Hanako , Kawahara Manabu , Nguyen Khang Thi Kim , Takahashi Masashi
Published: September 2021

Heat shock (HS) protein 70 (HSP70), a well-known HS-induced protein, acts as an intracellular chaperone to protect cells against stress conditions. Although HS induces HSP70 expression to confer stress resistance to cells, HS causes cell toxicity by increasing reactive oxygen species (ROS) levels. Recently, a standardized extract of Asparagus officinalis stem (EAS), produced from the byproduct of asparagus, has been shown to induce HSP70 expression without HS and regulate cellular redox balance in pheochromocytoma cells. However, the effects of EAS on reproductive cell function remain unknown. Here, we investigated the effect of EAS on HSP70 induction and oxidative redox balance in cultured bovine cumulus-granulosa (CG) cells. EAS significantly increased HSP70 expression; however, no effect was observed on HSP27 and HSP90 under non-HS conditions. EAS decreased ROS generation and DNA damage and increased glutathione (GSH) synthesis under both non-HS and HS conditions. Moreover, EAS synergistically increased HSP70 and HSF1 expression and increased progesterone levels in CG cells. Treatment with an HSP70 inhibitor significantly decreased GSH level, increased ROS level, and decreased HSF1, Nrf2, and Keap1 expression in the presence of EAS. Furthermore, EAS significantly increased progesterone synthesis. Thus, EAS improves HSP70-mediated redox balance and cell function in bovine CG cells.
Ketamine ameliorates depressive-like behaviors in mice through increasing glucose uptake regulated by the ERK/GLUT3 signaling pathway
Authors: Ouyang Xin , Wang Zhengjia , Luo Mei , Wang Maozhou , Liu Xing , Chen Jiaxin , Feng JianGuo , Jia Jing , Wang Xiaobin
Published: September 2021

To investigate the effects of ketamine on glucose uptake and glucose transporter (GLUT) expression in depressive-like mice. After HA1800 cells were treated with ketamine, 2-[N-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)Amino]-2-Deoxyglucose (2-NBDG) was added to the cells to test the effects of ketamine on glucose uptake, production of lactate, and expression levels of GLUT, ERK1/2, AKT, and AMPK. Adult female C57BL/6 mice were subjected to chronic unpredictable mild stress (CUMS), 27 CUMS mice were randomly divided into the depression, ketamine (i.p.10 mg/kg), and FR180204 (ERK1/2 inhibitor, i.p.100 mg/kg) + ketamine group. Three mice randomly selected from each group were injected with 18F-FDG at 6 h after treatment. The brain tissue was collected at 6 h after treatment for p-ERK1/2 and GLUTs. Treatment with ketamine significantly increased glucose uptake, extracellular lactic-acid content, expression levels of GLUT3 and p-ERK in astrocytes and glucose uptake in the prefrontal cortex (P < 0.05), and the immobility time was significantly shortened in depressive-like mice (P < 0.01). An ERK1/2 inhibitor significantly inhibited ketamine-induced increases in the glucose uptake in depressive-like mice (P < 0.05), as well as prolonged the immobility time (P < 0.01). The expression levels of p-ERK1/2 and GLUT3 in depressive-like mice were significantly lower than those in normal control mice (P < 0.01). Ketamine treatment in depressive-like mice significantly increased the expression levels of p-ERK1/2 and GLUT3 in the prefrontal cortex (P < 0.01), whereas an ERK1/2 inhibitor significantly inhibited ketamine-induced increases (P < 0.01).Our present findings demonstrate that ketamine mitigated depressive-like behaviors in female mice by activating the ERK/GLUT3 signal pathway, which further increased glucose uptake in the prefrontal cortex.
Design, synthesis and evaluation of tryptophan analogues as tool compounds to study IDO1 activity
Authors: Cundy Nicholas J. , Hare Roseanna K. , Tang Tina , Leach Andrew G. , Jowitt Thomas A. , Qureshi Omar , Gordon John , Barnes Nicholas M. , Brady Catherine A. , Raven Emma L. , Grainger Richard S. , Butterworth Sam
Published: September 2021

We report the rational design, novel syntheses and biophysical andin silicoevaluation of tryptophan-inspired tool compounds to probe the illusive MOA of the clinically-relevant heme-dioxygenase protein, IDO1.
Ready-to-use paraquat sensor using a graphene-screen printed electrode modified with a molecularly imprinted polymer coating on a platinum core
Authors: Somnet Kanpitcha , Thimoonnee Suphatsorn , Karuwan Chanpen , Kamsong Wichayaporn , Tuantranont Adisorn , Amatatongchai Maliwan
Published: September 2021

A novel ready-to-use sensor using a PtNPs@MIP modified screen-printed graphene electrode for sensitive, selective and cost-effective paraquat determination is presented.
Semiconductive coordination polymers with continuous π–π interactions and defined crystal structures
Authors: Yan Yong , Henfling Stefan , Zhang Ning-Ning , Krautscheid Harald
Published: September 2021

Two layered semiconducting coordination polymers with chelating redox-active ligands were synthesized. Their moderate electrical conductivity is assigned to orbital overlap originating in continuous π–π interactions.
Ir-based electrocatalysts promoted by TME-substituted polyoxovanadate-derived vanadium carbide for efficient hydrogen evolution and oxygen evolution
Authors: Wu Pingfan , Li Jincheng , Xiao Zicheng , Zhao Yanchao , Wang Yu , Xiao Bowen , Huang Bo
Published: September 2021

Vanadium carbide derived from organic ligand-substituted polyoxovanadate can markedly promote the electrocatalytic performance of Ir-based nanoparticles for water splitting.
Gold–clay nanocomposite colloids with liquid-crystalline and plasmonic properties
Authors: El Rifaii Karin , Davidson Patrick , Michot Laurent , Hamon Cyrille
Published: September 2021

Beidellite clay liquid-crystal (LC) suspensions are colourless because the distance between nanosheets is too small. We achieved a successful marriage between this colloidal host and gold nanoparticles, imparting the LC with the vivid colors of gold.
Low-dimensional magnetism in calcium nitridonickelate(ii) Ca2NiN2
Authors: Kloß Simon D. , Attfield J. Paul
Published: September 2021

Ca nitridonickelate(ii) Ca2NiN2 has been prepared through an azide-mediated redox reaction under high -pressure and high-temperature conditions and displays low-dimensional antiferromagnetic behavior at low temperatures.
[Ag71(S-tBu)31(Dppm)](SbF6)2: an intermediate-sized metalloid silver nanocluster containing a building block of Ag64
Authors: Zhou Manman , Bao Yizheng , Jin Shan , Wen Shuaishuai , Chen Shuang , Zhu Manzhou
Published: September 2021

An intermediate-sized metalloid silver nanocluster [Ag71(S-tBu)31(Dppm)](SbF6)2 was reported, whose Ag23 unit provides a deeper understanding on Marks truncation, and Ag64 could serve as an assemble block to predict structures of larger nanoclusters.
Computational investigation of enhanced properties in functionalized carbon nanotube doped polyvinyl alcohol gel electrolyte systems
Authors: Karaman Emine S. , Mitra Somenath , Young Joshua
Published: September 2021

Functionalizing carbon nanotubes with carboxyl groups enhances polymer chain interactions while reducing Zn, resulting in enhanced mechanical and transport properties.
Stepped M@Pt(211) (M = Co, Fe, Mo) single-atom alloys promote the deoxygenation of lignin-derived phenolics: mechanism, kinetics, and descriptors
Authors: Liu Ranran , An Wei
Published: September 2021

HDO of lignin-derived phenolics on stepped M@Pt(211) (M = Co, Fe, Mo) single-atom alloy was computationally explored. Either C–O bond length or *OH binding energy was confirmed as an effective catalytic descriptor for predicting HDO performance.
Poly(HPMA)–chlorambucil conjugate nanoparticles: facile fabrication and in vitro anti-cancer activity
Authors: Li Guichen , Zhao Minzhi , Zhang Jia , Li Haining , Xu Weibing , Pu Lumei , Shi Xinhe
Published: September 2021

An acid-sensitive poly(HPMA)–Chl conjugate was developed and its antitumor effect towards HepG2 and MCF-7 cells was evaluated.
Natural clay minerals and fly ash waste as green catalysts for heterogeneous photo-Fenton reactions
Authors: Bui Thanh Son  , Nguyen Viet Long  , Nguyen Thi Nhat Hang
Published: September 2021

This review highlights recent advances in the use of natural clay minerals and fly ash waste as efficient catalysts for the heterogeneous photo-Fenton degradation of emerging contaminants.
Hydrogenation of pentenal over supported Pt nanoparticles: influence of Lewis-acid sites in the conversion pathway
Authors: Wei Xuejiao , Zhou Yajuan , Sun Xiaonan , Jiang Fuhua , Zhang Jintao , Wu Zeying , Wang Fei , Li Gao
Published: September 2021

The superb TOF and high selectivity of Pt/CeAl are associated with the surface properties (e.g. medium Lewis acidic site). The unsaturated Ce4+/Al3+ cations pairs act as the acid sites and electron acceptors to polarize the CO bonds.
Rational design of photochromic diarylbenzene with both high photoreactivity and fast thermal back reactivity
Authors: Maegawa Rikuto , Kitagawa Daichi , Hamatani Shota , Kobatake Seiya
Published: September 2021

Utilizing the intramolecular CH–N hydrogen bonding and the bulky substituents at the reactive carbons resulted in the development of photochromic diarylbenzene with both high photoreactivity and fast thermal back reactivity.
Surfactant-free emulsion polymerization of vinylidene fluoride mediated by RAFT/MADIX reactive poly(ethylene glycol) polymer chains
Authors: Fuentes-Exposito Mathieu , Norsic Sébastien , Février Thibaut , Dugas Pierre-Yves , Boutti Salima , Devisme Samuel , Bonnet Anthony , D'Agosto Franck , Lansalot Muriel
Published: September 2021

Vinylidene fluoride (VDF) emulsion polymerization is conducted in the presence of xanthate-end functionalized poly(ethylene glycol)s leading to stable PVDF latexes.
Effects of diamine isomers on the properties of colorless and transparent copoly(amide imide)s
Authors: Choi Moon Young , Lee Seon Ju , Kwac Lee Ku , Kim Hong Gun , Chang Jin-Hae
Published: September 2021

The thermal- and mechanical-properties and optical transparency of the copoly(amide imide) films with different BPA monomer contents were investigated.
Intrinsically radiopaque biomaterial assortments: a short review on the physical principles, X-ray imageability, and state-of-the-art developments
Authors: Sneha K. R. , Sailaja G. S.
Published: September 2021

The physical principles, X-ray imageability, and state-of-the-art developments of intrinsically radiopaque biomaterial assortments.
Discovery, development and application of drugs targeting BCL-2 pro-survival proteins in cancer
Authors: Lee Erinna F. , Fairlie W. Douglas
Published: September 2021

The discovery of a new class of small molecule compounds that target the BCL-2 family of anti-apoptotic proteins is one of the great success stories of basic science leading to translational outcomes in the last 30 years. The eponymous BCL-2 protein was identified over 30 years ago due to its association with cancer. However, it was the unveiling of the biochemistry and structural biology behind it and its close relatives’ mechanism(s)-of-action that provided the inspiration for what are now known as ‘BH3-mimetics’, the first clinically approved drugs designed to specifically inhibit protein–protein interactions. Herein, we chart the history of how these drugs were discovered, their evolution and application in cancer treatment.
Dispatching plasma membrane cholesterol and Sonic Hedgehog dispatch: two sides of the same coin?
Authors: Ehring Kristina , Grobe Kay
Published: September 2021

Vertebrate and invertebrate Hedgehog (Hh) morphogens signal over short and long distances to direct cell fate decisions during development and to maintain tissue homeostasis after birth. One of the most important questions in Hh biology is how such Hh signaling to distant target cells is achieved, because all Hh proteins are secreted as dually lipidated proteins that firmly tether to the outer plasma membrane leaflet of their producing cells. There, Hhs multimerize into light microscopically visible storage platforms that recruit factors required for their regulated release. One such recruited release factor is the soluble glycoprotein Scube2 (Signal sequence, cubulin domain, epidermal-growth-factor-like protein 2), and maximal Scube2 function requires concomitant activity of the resistance-nodulation-division (RND) transporter Dispatched (Disp) at the plasma membrane of Hh-producing cells. Although recently published cryo-electron microscopy-derived structures suggest possible direct modes of Scube2/Disp-regulated Hh release, the mechanism of Disp-mediated Hh deployment is still not fully understood. In this review, we discuss suggested direct modes of Disp-dependent Hh deployment and relate them to the structural similarities between Disp and the related RND transporters Patched (Ptc) and Niemann-Pick type C protein 1. We then discuss open questions and perspectives that derive from these structural similarities, with particular focus on new findings that suggest shared small molecule transporter functions of Disp to deplete the plasma membrane of cholesterol and to modulate Hh release in an indirect manner.
Full body virtual try‐on with semi‐self‐supervised learning
Authors: Lee Hyug‐Jae , Koo Byumhyuk , Ahn Ha‐Eun , Kang Minseok , Lee Rokkyu , Park Gunhan
Published: September 2021

This paper proposes a full body virtual try‐on which handles both top and bottom garments and generates realistic try‐on images. For the full body virtual try‐on, this paper addresses lack of suitable training data to align and fit top and bottom naturally. The proposed system consists of three modules: Clothing Guide Module (CGM), Geometric Matching Module (GMM), and Try‐On Module (TOM). CGM is introduced to generate a clothing guide map (CGMap) which describes the shape of a garment on a model. Unlike the single‐garment virtual try‐on scheme, it is impractical to collect meaningful data at a large scale for the multi‐garment system. To address this problem, two novel training strategies are proposed to leverage the existing training data. First, a pseudo triplet of model‐top‐bottom is generated from a pair of model‐top or model‐bottom which are already secured. Second, the CGM network is arranged to be exposed to both top and bottom garments during training. Then, the following GMM networks warp and align the top and bottom garments. Finally, TOM synthesizes a realistic try‐on image with the aligned garment and the CGMap. Experimental results prove remarkable performance of the proposed method in the full body virtual try‐on.
SOP – N.ulnaris-Neuropathie am Ellenbogen (UNE) / Kubitaltunnelsyndrom (KUTS)
Authors: Schönlau Lars , Margold Michelle , Buchner Helmut , Bischoff Christian
Published: September 2021

Die Ulnarisneuropathie am Ellenbogen ist nach dem Karpaltunnelsyndrom das zweithäufigste Nervenkompressionssyndrom an der oberen Extremität. Etablierter Standard zur Sicherung der Diagnose ist die Neurografie. Die Sonografie des Nervens wird zur Ergänzung empfohlen. Die SOP gibt einen Vorschlag zur rationalen Stufendiagnostik.
Prediction of Spontaneous Preterm Birth in At-risk Women Using Thrombospondin 1 from Cervicovaginal Fluid: A Prospective Observational Study
Authors: Stubert Johannes , Gründler Kathleen , Gerber Bernd , Richter Dagmar-Ulrike , Dieterich Max
Published: September 2021

Introduction Thrombospondin 1, desmoplakin and stratifin are putative biomarkers for the prediction of preterm birth. This study aimed to validate the predictive capability of these biomarkers in patients at risk of preterm birth.

Materials and Methods We included 109 women with symptoms of threatened spontaneous preterm birth between weeks 20 0/7 and 31 6/7 of gestation. Inclusion criteria were uterine contractions, cervical length of less than 25 mm, or a personal history of spontaneous preterm birth. Multiple gestations were also included. Samples of cervicovaginal fluid were taken before performing a digital examination and transvaginal ultrasound. Levels of cervicovaginal thrombospondin 1, desmoplakin and stratifin were quantified by enzyme-linked immunosorbent assays. The primary endpoint was spontaneous preterm birth before 34 + 0 weeks of gestation.

Results Sixteen women (14.7%) delivered before 34 + 0 weeks. Median levels of thrombospondin 1 were higher in samples where birth occurred before 34 weeks vs. ≥ 34 weeks of gestation (4904 vs. 469 pg/mL, p < 0.001). Receiver operator characteristics analysis resulted in an area under the curve of 0.86 (p < 0.0001). At an optimal cut-off value of 2163 pg/mL, sensitivity, specificity, positive predictive value and negative predictive value were 0.94, 0.77, 0.42 and 0.99, respectively, with an adjusted odds ratio of 32.9 (95% CI: 3.1 – 345, p = 0.004). Multiple gestation, cervical length, and preterm labor had no impact on the results. Survival analysis revealed a predictive period of more than eight weeks. Levels of desmoplakin and stratifin did not differ between groups.

Conclusion Thrombospondin 1 allowed long-term risk estimation of spontaneous preterm birth.
Hidden Reactivity of Barbituric and Meldrum’s Acids: Atom-Efficient Free-Radical C–O Coupling with N-Hydroxy Compounds
Authors: Terent’ev Alexander O. , Krylov Igor B. , Paveliev Stanislav A. , Budnikov Alexander S. , Segida Oleg O. , Merkulova Valentina M. , Vil’ Vera A. , Nikishin Gennady I.
Published: September 2021

The reactivity of CH-acidic and structurally related enol-containing heterocycles towards N-oxyl radicals is disclosed. Traditionally, these substrates have been considered as reactants for ionic transformations. Highly selective and efficient N-oxyl radical mediated C–O coupling of substituted barbituric or Meldrum’s acids with N-hydroxy compounds (N-hydroxyimides, hydroxamic acids, oximes, and N-hydroxybenzotriazole) was achieved using inexpensive manganese-containing salts as oxidants. Metal-free C–O coupling was demonstrated using diacetyliminoxyl as both the oxidant (hydrogen-atom acceptor) and the coupling partner.
Long-time asymptotic behavior of a mixed Schrödinger equation with weighted Sobolev initial data
Authors: Cheng Qiaoyuan , Yang Yiling , Fan Engui
Published: September 2021

In this paper, we consider the initial value problem for the mixed Schrödinger equation. For the Schwartz initial data q0(x)∈S(R), by defining a general analytical domain and two reflection coefficients, we ever found an unified long-time asymptotic formula via the Deift–Zhou nonlinear steepest descent method. In this paper, under essentially minimal regularity assumptions on initial data in a much weak weighted Sobolev space q0(x)∈H2,2(R), we apply the ∂̄ steepest descent method to obtain long-time asymptotics for the mixed Schrödinger equation. In the asymptotic expression, the leading order term O(t−1/2) comes from the dispersive part qt + iqxx and the error order O(t−3/4) comes from a ∂̄ equation.
On the regularity of weak solutions of the MHD equations in BMO
−1 and Ḃ∞,∞−1
Authors: Wang Yanqing , Yuan Baoquan , Zhao Jiefeng , Zhou Daoguo
Published: September 2021

In this paper, we are concerned with the regularity of weak solutions to three-dimensional magnetohydrodynamics equations in critical spaces BMO−1 and Ḃ∞,∞−1. It is shown that weak solutions to this system are smooth if the velocity field belongs to C((0, T]; BMO−1) or the velocity field is in C((0,T];Ḃ∞,∞−1) and the magnetic field is bounded in L∞(0,T;Ḃ∞,∞−1). In addition, regularity criteria just via ∇u in homogeneous Besov spaces of negative regular indices are established. Our results improve previous corresponding criteria due to Chen, Miao, and Zhang [Commun. Math. Phys. 284, 919–930 (2008)]; He and Xin [J. Differ. Equations 213, 235–254 (2005)]; and Liu [Acta Math. Sci. 30, 335–343 (2010)].
An improved chain of spheres for exchange algorithm
Authors: Helmich-Paris Benjamin , de Souza Bernardo , Neese Frank , Izsák Róbert
Published: September 2021

In the present work, we describe a more accurate and efficient variant of the chain-of-spheres algorithm (COSX) for exchange matrix computations. Higher accuracy for the numerical integration is obtained with new grids that were developed using global optimization techniques. With our new default grids, the average absolute energy errors are much lower than 0.1 kcal/mol, which is desirable to achieve “chemical accuracy.” Although the size of the new grids is increased by roughly a factor of 2.5, the excellent efficiency of the original COSX implementation is still further improved in most cases. The evaluation of the analytic electrostatic potential integrals was significantly accelerated by a new implementation of rolled-out versions of the Dupuis–Rys–King and Head-Gordon–Pople algorithms. Compared to our earlier implementation, a twofold speedup is obtained for the frequently used triple-ζ basis sets, while up to a 16-fold speedup is observed for quadruple-ζ basis sets. These large gains are a consequence of both the more efficient integral evaluation and the intermediate exchange matrix computation in a partially contracted basis when generally contracted shells occur. With our new RIJCOSX implementation, we facilitate accurate self-consistent field (SCF) binding energy calculations on a large supra-molecular complex composed of 320 atoms. The binding-energy errors with respect to the fully analytic results are well below 0.1 kcal/mol for the cc-pV(T/Q)Z basis sets and even smaller than for RIJ with fully analytic exchange. At the same time, our RIJCOSX SCF calculation even with the cc-pVQZ basis and the finest grid is 21 times faster than the fully analytic calculation.
Growth mechanism of transfer-free graphene synthesized from different carbon sources and verified by ion implantation
Authors: Chen Yi , Zhao Yunbiao , Zhou Danqing , Li Yue , Wang Qining , Zhao Ziqiang
Published: September 2021

The synthesis of transfer-free graphene is necessary for expanding its industrial applications. Although the direct synthesis of graphene on the insulating substrate via a metal sacrificial film was reported, the growth mechanism of transfer-free graphene still remains to be studied. Herein, a detailed synthesis model of graphene grown from different carbon sources has been established to help in selecting the growth conditions for high-quality graphene. A detailed discussion on the critical influence of dissolution and the diffusion rate of carbon atoms on the growth process has also been presented. The high decomposition temperature carbon sources promote the formation of high-quality monolayers of graphene. The carbon diffusion rate of the Cu film is significantly higher than that of Ni. This promotes the synthesis of graphene from methane and diamond-like carbon. However, adverse effects are exerted on polymethyl methacrylate. Ion implantation technology and different components of the Ni–Cu alloy were used to understand this growth mechanism. This work could guide the growth conditions of transfer-free, large-scale, and high-quality graphene that can be potentially used for the fabrication of a semiconductor or an insulation substrate in theory. The reported method can generate interest in the field and increase the industrial applications of graphene-based devices that exhibit rough or patterned surfaces.
Thermal strain analysis considering in-plane anisotropy for sputtered AlN on c- and a-plane sapphire under high-temperature annealing
Authors: Hayashi Yusuke , Uesugi Kenjiro , Shojiki Kanako , Tohei Tetsuya , Sakai Akira , Miyake Hideto
Published: September 2021

High-temperature annealing of sputtered AlN (Sp-AlN) using a face-to-face configuration is a novel technique that has attracted considerable attention because it can reduce the threading dislocation density of Sp-AlN to 107 cm−2. However, drawbacks such as cracking, residual stress, and wafer curvature remain because of a high annealing temperature of 1700 °C. We previously developed a thermal strain analysis model that uses an elastic multilayer system to describe the elastic behavior of Sp-AlN on sapphire under high-temperature annealing. In this study, we expand this model to consider in-plane anisotropy. By performing thermal strain analysis of the curvature, strain, stress, and strain energy of c-plane AlN grown on c- and a-plane sapphire, our calculation successfully approximates the experimental results, even for an in-plane anisotropic structure. The proposed model is, therefore, useful for quantitative evaluation of the residual strain and can contribute to strain engineering of AlGaN-based deep-ultraviolet light-emitting diodes.
Pyroelectric dependence of atomic layer-deposited Hf0.5Zr0.5O2 on film thickness and annealing temperature
Authors: Lomenzo Patrick D. , Alcala Ruben , Richter Claudia , Li Songrui , Mikolajick Thomas , Schroeder Uwe
Published: September 2021

Ferroelectric Hf0.5Zr0.5O2 is a prime candidate material for integrated HfO2-based ferroelectric devices due to its simple composition, low crystallization temperature, and significant remanent polarization. It is particularly promising for integrated pyroelectric devices used in infrared sensing and energy harvesting, although the appearance of nonferroelectric tetragonal and monoclinic phases should be avoided to achieve high-performance pyroelectric sensors. Both nonferroelectric phases are strongly influenced by the Hf0.5Zr0.5O2 film thickness and annealing temperature. The sensitivity of the pyroelectric coefficient on film thickness is investigated with atomic layer-deposited Hf0.5Zr0.5O2 films within a 10–30 nm thickness range. The films are capped with TiN and undergo post-metallization anneals at 450 °C and 600 °C. An optimum pyroelectric coefficient of −56 μC K−1 m−2 is found in the 15 nm thick Hf0.5Zr0.5O2. The pyroelectric coefficient is found to be sensitive to thickness-dependent depolarization effects and monoclinic phase growth. Ferroelectric, dielectric, and pyroelectric properties are improved with a lower annealing temperature, demonstrating the back-end-of-line compatibility of Hf0.5Zr0.5O2 pyroelectric devices.
Experimental study on the effect of O2 on the decomposition characteristics of C6F12O/CO2 gas mixture
Authors: Li Dajian , Rao Xiajin , Zhang Xiaoxing , Peng Boya , Zhang Lei , Chen Liangyuan , Xia Xiaofei , Zhang Longfei , Ma Shouxiao , Pan Shaoming
Published: September 2021

C6F12O has the potential to be used in gas-insulated equipment because of its excellent insulation performance and low global warming potential value. In order to study the effect of O2 on the decomposition characteristics of the C6F12O/CO2 gas mixture, power frequency breakdown experiments were conducted on a C6F12O/O2/CO2 gas mixture with different O2 mixing ratios. The decomposition products of the C6F12O gas mixture after multiple breakdowns were analyzed qualitatively and quantitatively by gas chromatography-mass spectrometry. The effects of the O2 mixing ratio, breakdown times, and effective gas production rate on the decomposition characteristics of the gas mixture were investigated. The results show that the main decomposition products are CF4, C2F6, C3F6, C3F8, C4F10, C5F12, C3F7H, and CF2O, and the addition of O2 will promote the formation of the above several decomposition products. Except for C3F6, the concentrations of other decomposition products tend to increase and then decrease with the increase in the O2 mixing ratio. The concentrations of CF4, C2F6, C3F6, and C3F8 increase with the times of breakdowns. The effective gas production rates of CF4, C2F6, and C3F8 show a trend of increasing and then decreasing in the process of adding O2 to the C6F12O/O2/CO2 gas mixture. This study provides a reference for the industrial application of the C6F12O/O2/CO2 gas mixture.
Habitat of Melomys cervinipes (Rodentia: Muridae) on Carlisle Island, Central Queensland
Authors: Woodall P.F.
Published: September 2021

NA
Interspecific and intraspecific differences in the diets of Fur seals, Arctocephalus species (Pinnipedia: Otariidae) at Macquarie Island.
Authors: Green K. , Williams R. , asyde K.A. , Burton HR. and Shaughnessy P.D.
Published: September 2021

Between November 1988 and March 1989, scats were collected from three species of fur seals (Arctocephalus forsteri, A. gazella and A. tropicalis) at the northern end of Macquarie Island and from A. forsteri between January and March 1989 at the southern end. All fed mainly on fish. For A. gazella/A. tropicalis an average 99.2 % of scats in monthly collections contained fish remains, while for A. forsteri the figure for North Head was 100 % and for Hurd Point was 94.9 %. Arctocephalus forsteri at Hurd Point took less fish and more penguins than at North Head and there were significant differences in the composition of the fish diet in two of three months. At North Head, the fish diet of A. gazella/A. tropicalis differed significantly from that of A. forsteri in three of the five months studied . Food resources for fur seals around Macquarie Island are considered to be less available than they are around Heard Island.
Reproductive anatomy and sperm morphology of the long-tailed hopping mouse, Notomys longicaudatus (Rodentia: Muridae).
Authors: Breed W.G.
Published: September 2021

NA
Book Review. Walton, D. W. and Richardson, B. J., (Eds) 1989. Fauna of Australia. Vol. 1b. Mammalia. AGPS: Canberra.
Authors: Sharman G.B.
Published: September 2021

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The use of freeze-branding and implanted transponder tags as a permanent marking method for the Platypus, Ornithorhynchus anatinus (Monotremata: Ornithorhynchidae).
Authors: Grant T.R. , Whittington R.J.
Published: September 2021

NA
Distribution and abundance of kangaroos (Marsupialia: Macropodidae) at the time of European contact: Victoria.
Authors: Barker R.D. , Caughley G.
Published: September 2021

The dominant species of large macropods in Victoria are the Eastern Grey Kangaroo (Macropus giganteus) and the Southern (= Western) Grey Kangaroo (M. fuliginosus). On the limited historic data available there is no indication that their ranges have changed since European settlement. The Red Kangaroo (M. rufus) was restricted to the northwest corner of the state, then as now. Moderate densities of Grey Kangaroos at settlement increased under forest clearing, probably peaking about the mid-nineteenth century. With intensification of farming and associated heavy hunting they declined again to establish by about the turn of the century the distribution of modera te density that we see today.
Teat size and plasma progesterone concentrations in the marsupials, Isoodon macrourus and Trichosurus vulpecula at the beginning of the breeding season.
Authors: Gemmell R.T.
Published: September 2021

NA
Records of pseudoscorpions associated with bats.
Authors: Harvey M.S. , Parnaby H.E.
Published: September 2021

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Allozyme variation in the Leopard Seal, Hydrurga leptonyx.
Authors: Slip D.J. , Green K. , Burton H.R. , Mitchell P.J. , Adams M.
Published: September 2021

Blood samples collected from Leopard Seals, Hydrurga leptonyx, from Heard Island and Macquarie Island were surveyed electrophoretically for allozyme variation in blood proteins. Thirty four proteins encoded by a minimum of 39 genetic loci were surveyed; six of these were found to be polymorphic, but only one could be considered polymorphic at the 95% level of significance. The mean observed heterozygosity was 0.01 I ± 0.007, which is the lowest yet recorded for a species of Antarctic seal. Hydrurga leptonyx exhibited fixed allelic differences with the Southern Elephant Seal, Mirounga leonina, at 26% of loci screened.
Shrews (Soricidae: Crocidura) from the Lesser Sunda Islands, and South-East Maluku, eastern Indonesia.
Authors: Kitchener D.J. , Hisheh S. , Schmitt L.H. , Suyanto A.
Published: September 2021

Crocidura maxi Sody, 1936 is extremely rare in collections and nothing is recorded of its general biology. It is recorded here for the frrst time from the islands of Bali, Alor, Timor, Roti, Kai Besar and Aru. The last mentioned is the first occasion that a shrew has been recorded from an island on the Australian continental shelf. Most parous females collected, in April, May and October, were pregnant, with an average of 2.0 (1-3) foetuses, or had recently given birth. In April, reproductive condition was not tightly synchronous among females. Crocidura maxi occurs in a wide range of habitats from grassland, mixed gardens (kebun), lowland riparian or gully rainforests at or near sea level, to lowland montane forests at 1300 m altitude. These shrews frequent grass nests of Alang Alang (lmperata cylindrica), either singly or as an adult male and female pair with their young, and occur in or beneath rotting logs or fallen canopy detritus. Crocidura maxi is sexually dimorphic on the islands of Alor and Flores, and differs morphologically between the islands. The sexes differ significantly in external and skull morphology. Genetic variability within island populations of C. maxi is well within the general mammalian range. Genetic distances are also typical of those observed for conspecific mammalian populations. An isolation by distance effect, in which genetic distance correlates positively with geographic separation, did not quite reach statistical significance. The genetic observations are consistent with population fragmentation and limited migration between C. maxi populations. Croci dura brunnea pudjonica Sody, 1936 is recorded for the first time from Bali Island. Basic morphometric and genetic data are presented.
Perceptions about the design of informational materials used in the fight against COVID-19 in Portugal and
Brazil
Authors: Mont’Alvão Cláudia Renata , Duarte Emilia , Teles Julia
Published: September 2021

This study aimed to assess perceptions on the graphical informational materials designed to help in the fight
against COVID-19 in Portugal and Brazil. We assessed the perceptions using an online survey incorporating the AttrakDiff2TM
questionnaire. The results show that the perception of risk with relation to the COVID-19 pandemic is high among the respondents,
and that they believe that they will have mild symptoms if infected by the virus. The results also show that the materials
available in these countries were poorly designed and not effective in promoting adequate behaviour change. These findings can
contribute to future design projects whose aim is to design risk communication materials to inform and guide people facing health
crisis situations.
Ghost imaging based on pulsed radiation of terahertz spectrum range modulated by random phase screen
Authors: Leibov Lev S , Zalipaev Victor V , Ismagilov Azat O , Nasedkin Boris A , Petrov Nikolai V , Kalinichev Alexey A , Tcypkin Anton N
Published: September 2021

We present mathematical and computer modelling of ghost imaging technique based on broadband pulsed radiation of terahertz spectrum range, modulated by a random phase screen. The modelling is performed in both frequency and time domains. The quality of the reconstructed images is discussed and estimated.
THz and IR spectroscopy of endofullerene H2O@C60
Authors: Melentev Alexander , Zhukov Sergey , Balos Vasileios , Hoffman Gabriela , Alom Shamim , Belyanchikov Mikhail , Zhukova Elena , Dressel Martin , Bacanu George , Abramov Pavel , Levitt Malcolm , Whitby Richard , Gorshunov Boris , Sajadi Mohsen
Published: September 2021

Terahertz time-domain and infrared Fourier-transform spectroscopy techniques are used to investigate the properties of H2O@C60 endofullerene in 6 K – 300 K temperature interval. A number of absorption lines associated with rotational transitions of water molecule entrapped inside C60 cages are observed and assigned. Fitting the resonances with Lorenzian lineshapes allowed us to obtain temperature dependencies of absorption lines parameters – frequency, strength and damping.
Keylogger Detection and Prevention
Authors: Singh Arjun , Choudhary Pushpa , singh Akhilesh kumar , tyagi Dheerendra kumar
Published: September 2021

Keyloggers are kind of a rootkit malware that catch composed keystroke occasions of the console and save into log record, hence, it can capture delicate data, for example, usernames, PINs, and passwords, in this manner communicates into vindictive assailant without pulling in the consideration of clients. Keyloggers present a significant danger to deals and individual exercises such as E-business, internet banking, email talking, and framework information base. Antivirus programming that is ordinarily used to identify and eliminate known Keyloggers. Nonetheless, it can’t recognize obscure Keyloggers. This paper presents an outline of Keyloggers programs, types, qualities of Keyloggers and philosophy they use. At last we will break down the current discovery procedures, and investigate a few proactive methods.
Different Analysis of Rigid Pavement Subjected to Multi Axle Load and Temperature Effect
Authors: Parsania Vatsal , Solanki U J , Zala L B
Published: September 2021

In this study the axle load studies are carried out to determine actual load of each axles on the road surface. In the present study, Static Weighing method is used for the axle load survey. The Sample size of the axle load survey is determined by conducting Classified Volume Survey as per IRC: 58 – 2015. Axle load Spectrum is generated with the help of axle load study. Based on the Axle load survey and Warping stress, stress – deflection analysis is done with the help of Westergaard Theory, IRC-58 (2015) and ANSYS software. Results which are analysis by Ansys is closed to Westergaard theory and IRC – 58 (2015) In the present study, stretch Kankot to Vavdi, near Punitnagar, Rajkot is selected for the analysis study.
IoT Based 3-Dimensional GPS Tracking System
Authors: Patel Shreyans , Rathod Ghansyam
Published: September 2021

This study solves the problem of identifying the exact location of the device in multi-story buildings by displaying the latitude, longitude and even the altitude data of the device with the use of a simple prototype. By simple mapping of buildings, this prototype can be programmed to give altitude output as the floor of the building on which the device is located. This paper addresses some opportunities brought by smart tracking methods. The prototype aims to locate the device and send its geolocation coordinates via email to the user so that they can recover their precious device or use the system for tracking applications. This study is based on the Internet of Things (IoT) so that the prototype can be used for locating any Android or iOS device connected to the internet with a GPS sensor available, directly through communication between the device and the controller through a Web Server or Cloud. In addition to the services of retrieving the device location that is already provided by many companies, the innovation done is that the prototype can also detect the altitude at which the object is located. This makes it very easy to find in multi-story buildings where just latitude and longitude data is not enough to find it quickly.
Designing Of Uwb Bandpass Filter By Cascading Highpass And Lowpass Filter
Authors: Vats Mudita , Rai Mayank , Choudhary Shilpa , Sachan Smriti , Sharma Mukul
Published: September 2021

A Ultra WideBand(UWB) bnadpass filter(BPF)is introduced in this paper. According to the paper, we developed good insertion loss and return loss of bandpass filter by cascade the highpass and lowpass filter intead of using simple bnadpass filter. This research upgrade the outcome and prototype of the bandpass filter for wireless communicaton. In this paper butterworth technique is used in the designing of the bandpass filter. In this paper we designed Ultra-wideband bandpass filter and compare result with the simple bandpass filter also improved the various parameters. Simulations have been performed by using Microwave office 2002.
Non Zero Spin Boundary Conditional Vector of porous sphere flow for fixed micropolar fluids
Authors: Sudesh Kumar Garg , Mishra Rashmi , Singh Manvinder
Published: September 2021

This paper presents the non zero spin boundary conditional vector of porous sphere flow for fixed micropolar fluids using brinkman and stokes equation. The fluid flows in and out words of the porous sphere for formulating the stream functions. The evaluation and knowledge of the flow of disparity material parameters are considered for validating and getting the results by using previous case. This present research paper proposes to examine the analytical study of porous sphere flow fixed in micropolar fluid with non zero boundary conditional vector. The brinkman and stokes equation are utilized for flowing in and out wards of the porous sphere and also in the formulations of stream function. The flow is knowledgeable by porous sphere is to evaluate and its disparity with material parameter is considered. Results are validating by means of previous known cases.
Bidirectional Visitor Counter using Microcontroller with Sanitization and Thermal Screening
Authors: Verma Khushal , Chauhan Savita , Singh Jay , Kumar Nagendra
Published: September 2021

In the modern world there is continual requirement for automated devices. The COVID-19 pandemic is the expounding global health emergency of our time and the greatest challenge we have faced in many years. Authors have to move on by implementing strong protective measures to reduce the spread of COVID-19. This model is designed and presented in order to count the visitors along with their sanitization and thermal screening. This system can be used in any auditorium, halls, schools, offices, malls, etc. Authors have designed a model which can keep a track on number of people entering and exiting from the hall. It sanitizes the visitors entering and exiting from the hall, and check the temperature of each visitor entering in the hall. If the temperature is not according to COVID – 19 standards then a buzzer will buzz indicating that visitor cannot enter in hall. Depending upon the sensors interruption the system recognize entry and exit of visitor.
Persuasive Factors and Weakness for Security Vulnerabilities in BIG IOT Data in Healthcare Solution
Authors: Gaur Madhu Sharma , Kumar Sanjeev , Gaur Navneet K , Sharma Prem Sagar
Published: September 2021

In the present scenario, public health is a global challenge. In view of COVID-19 pandemic, interventions of emerging technologies hasbeen highly increased and post-pandemica big technological shift is expected for providing information and communication Technology-enabled solutions to healthcare as well a meeting other social challenges. Internet of Things or IoT and Big data are the technologies prominently being used in healthcare applications. In smart city visualization to provide ubiquitous computing environment, urge of smart, small but powerful sensor devices or IoT technology-enabled healthcare solutions deployments done over open networked infrastructure and underlying architecture. Such highly dynamic and heterogeneous environment with rapid digital transformation enforcing trusted security resource-restrictions and performance implication. In this paper, firstly, we explore the existing security, privacy and authentication weakness in reference to IoT or IoMT and big data enabled healthcare applications. Secondly, scaling the low to high security risks done based on the major weaknesses. In this work primarily we focus on most challenging attacks like Denial of Services (DoS), Man in the middle and dynamic intrusions. In winding-up machine learning based intelligent adaptive approach proposed for underlying deficiencies and insufficiencies in IoT enabled Healthcare application security. The key driving forces for the imprecision of trust and security with emerging Big IoT also presented as future scope.