Miracle-dz/UniFAR-FTUs huggingface dataset:
Electronic structure of copper phthalocyanine from G0W0 calculations

We present all-electron G0W0 calculations for the electronic structure of the organic semiconductor copper phthalocyanine, based on semilocal and hybrid density-functional theory (DFT) starting points. We show that G0W0 calculations improve the quantitative agreement with high resolution photoemission and inverse photoemission experiments. However, the extent of the improvement provided by G0W0 depends significantly on the choice of the underlying DFT functional, with the hybrid functional serving as a much better starting point than the semilocal one. In particular, strong starting-point dependence is observed in the energy positions of highly localized molecular orbitals. This is attributed to self-interaction errors (SIE), due to which the orbitals obtained from semilocal DFT do not approximate the quasi-particle (QP) orbitals as well as those obtained from hybrid DFT. Our findings establish the viability of the G0W0 approach for describing the electronic structure of metal-organic systems, given a judiciously chosen DFT-based starting point.
Sufficient Dimension Folding for Regression Mean Function

In this article, we consider sufficient dimension folding for the regression mean function when predictors are matrix- or array-valued. We propose a new concept named central mean dimension folding subspace and its two local estimation methods: folded outer product of gradients estimation (folded-OPG) and folded minimum average variance estimation (folded-MAVE). We establish the asymptotic properties for folded-MAVE. A modified BIC criterion is used to determine the dimensions of the central mean dimension folding subspace. We evaluate the performances of the two local estimation methods by simulated examples and demonstrate the efficacy of folded-MAVE in finite samples. And in particular, we apply our methods to analyze a longitudinal study of primary biliary cirrhosis. Supplementary materials for this article are available online.
Photoionization of Ne+ using synchrotron radiation

Absolute measurements of cross sections for photoionization of a statistical admixture of ${\mathrm{Ne}}^{+}$ in the ${}^{2}{P}_{3/2}^{o}$ ground state and the ${}^{2}{P}_{1/2}^{o}$ metastable state are reported in the energy range 40\char21{}71 eV at photon energy resolutions ranging from 22 meV to 2 meV. The experiments were performed using synchrotron radiation from an undulator beamline of the Advanced Light Source with a newly developed ion-photon-beam endstation. The data are characterized by multiple Rydberg series of autoionizing resonances superimposed upon a direct photoionization background cross section where some of the observed resonance line shapes show evidence of interference between the direct and indirect photoionization channels. The resonance features are assigned spectroscopically, and their energies and quantum defects are tabulated. The experimental photoionization cross sections are in satisfactory agreement with the predictions from theoretical calculations performed in intermediate coupling using the semirelativistic Breit-Pauli approximation with ten states. The resonances nearest to the ionization thresholds exhibit anomalous behavior with respect to their positions and strengths due to the presence of interloping resonances associated with higher-lying ionic states causing disruption of the regular Rydberg spectral pattern.
It takes two to Tango: The joint effect of democracy and fiscal capacity on economic growth in Indonesia

The literature continues to debate the effects of democracy and fiscal capacity on economic growth, both partially and jointly. To remedy the literature puzzle, this study examines the economic growth effects of democracy and fiscal capacity in 34 Indonesian provinces from 2016 to 2021. Using a fixed-effect model, this study documents no evidence of a partial effect; rather, it finds a joint effect of democracy and fiscal capacity on Indonesian economic growth. These findings remain relatively robust even when provincial heterogeneity, COVID-19 pandemic shocks, and sectoral composition are factored into the model. This finding indicates that regions with democracy and strong fiscal capacity possess relatively fast per capita GRDP growth. Based on these findings, the study concludes that democracy and fiscal capacity should exist side by side. Indonesia's sub-national economic growth strategy, like a tango game, requires reforming two types of decentralization: political decentralization to improve the quality of democracy that upholds the merit system and fiscal decentralization to expand local tax capacity to finance public goods productively.
Specific Cellular Effects of Low Bortezomib Concentrations on Purified Cultures of Schwann Cells, Satellite Glial Cells, Macrophages, and Dorsal Root Ganglion Neurons.

Peripheral neuropathy is one of the major adverse effects that limit the clinical application of bortezomib (BTZ). However, the underlying mechanisms of BTZ-induced peripheral neuropathy (BIPN) remain elusive. To examine cell types potentially involved in the development of BIPN, we used four purified cultures of cells of the peripheral nervous system: Schwann cells (SCs), satellite glial cells (SGCs), macrophages, and dorsal root ganglion (DRG) neurons. Administration of a low BTZ concentration (5 nM; similar to concentrations in clinical use) caused dedifferentiation of cultured SCs, returning mature SCs to an immature state. In cultured SGCs, BTZ increased glial fibrillary acidic protein (GFAP) levels without inducing the release of inflammatory cytokines or chemokines. In macrophages, BTZ caused little inflammatory response. Finally, in DRG neurons, BTZ strongly suppressed the expression levels of sensor and transducer ion channels without affecting cell morphology. Taken together, low concentrations of BTZ can cause SC dedifferentiation (i.e., demyelination), increased GFAP level in SGC, and decreased expression levels of sensor and transducer ion channels in DRG neurons (i.e., numbness feeling). Thus, we have reported, for the first time, specific effects of BTZ on peripheral nervous system cells, thereby contributing to a better understanding of the initiating mechanism of BIPN.
1 Measuring Concrete Sleeper Rail Seat Pressure Distribution with Matrix Based Tactile Surface Sensors

A sustained increase in gross rail loads and cumulative freight tonnages worldwide is placing an increasing demand on railway infrastructure and its components, especially on heavy haul and shared railway infrastructure. To meet to this demand, concrete sleepers will require increased strength and durability, and the industry must also developed a deeper understanding of failure modes. One of the typical failure modes for concrete sleepers in North America is Rail Seat Deterioration (RSD), which can initiate through multiple failure mechanisms. Researchers have hypothesized that localized crushing of the concrete in the rail seat is one of the potential mechanisms that contributes to RSD. To better understand this mechanism, the University of Illinois at Urbana-Champaign (UIUC) is utilizing a matrix based tactile surface sensor (MBTSS) to measure and quantify the forces and pressure distribution acting at the contact interface between the concrete rail seat and the bottom of the rail pad. Preliminary data collected during laboratory testing has shown that a direct relationship exists between rail pad modulus (stiffness) and maximum rail seat force. A direct relationship between the lateral/vertical (L/V) force ratio and the maximum field side rail seat force has also been observed. Given that all preliminary results indicate that various combinations of pad stiffness, track geometry, and L/V ratios create localized areas of high pressure, crushing remains a potential mechanism leading to RSD, as will be discussed in this paper. Through the analysis of rail seat pressure data, valuable insight will be gained that can be applied to the development of concrete sleeper and fastening system component designs that meet current and projected service demands.
Energy Absorption Capability and Crashworthiness of Composite Material Structures: A Review

The controlled brittle failure of thermosetting fiber-reinforced polymer composites can provide a very efficient energy absorption mechanism. Consequently, the use of these materials in crashworthy vehicle designs has been the subject of considerable interest. In this respect, their more widespread application has been limited by the complexity of their collapse behavior. This article reviews the current level of understanding i this field, including the correlations between failure mode and energy absorption, the principal material, geometric, and physical parameters relevant to crashworthy design and methods of predicting the energy absorption capability of polymer composites. Areas which require further investigation are identified. This review article contains 70 references.
Survey on student attitudes towards online learning during COVID-19: the Delta University experience.

The main objective of the present study is to investigate students' attitude towards implementing e-learning in Delta University during the period of Covid19 pandemic. Due to the full outbreak in this period, the learning, teaching, and evaluation system were completely modified from face-to-face interaction to totally online environment. The study data collection is based on a self-questionnaire which was conducted on 117 students from the faculty of Engineering at Delta University. The purpose was to realize student’s attitudes and perceptions in three main features; the learning content, evaluation system, communications, and the process of applying the technological approaches that are used in their alternative distant learning experience. The result of this study indicates that most students have positive satisfaction with online learning. The study also shows that appropriate applications of instructional pedagogy method and relevant incorporation of technological tools can be useful to warrant the constant achievement in conveying learning materials during the COVID-19 period.
NF-κB-Inducing Kinase Is a Common Mediator of IL-17-, TNF-α-, and IL-1β-Induced Chemokine Promoter Activation in Intestinal Epithelial Cells

IL-17 expression is restricted to activated T cells, whereas the IL-17R is expressed in a variety of cell types including intestinal epithelial cells. However, the functional responses of intestinal epithelial cells to stimulation with IL-17 are unknown. Moreover, the signal transduction pathways activated by the IL-17R have not been characterized. IL-17 induced NF-κB protein-DNA complexes consisting of p65/p50 heterodimers in the rat intestinal epithelial cell line IEC-6. The induction of NF-κB correlated with the induction of CXC and CC chemokine mRNA expression in IEC-6 cells. IL-17 acted in a synergistic fashion with IL-1β to induce the NF-κB site-dependent CINC promoter. Induction of the CINC promoter by IL-17 in IEC-6 cells was TNF receptor-associated factor-6 (TRAF6), but not TRAF2, dependent. Furthermore, IL-17 induction of the CINC promoter could be inhibited by kinase-negative mutants of NF-κB-inducing kinase and IκB kinase-α. In addition to activation of the NF-κB, IL-17 regulated the activities of extracellular regulated kinase, c-Jun N-terminal kinase, and p38 mitogen-activated protein kinases in IEC-6 cells. Whereas the IL-17-mediated activation of extracellular regulated kinase mitogen-activated protein kinases was mediated through ras, c-Jun N-terminal kinase activation was dependent on functional TRAF6. These data suggest that NF-κB-inducing kinase serves as the common mediator in the NF-κB signaling cascades triggered by IL-17, TNF-α, and IL-1β in intestinal epithelial cells.
Differentiation strategies and tourism performance interplay

Tour operators have ensured the success of the Kenyan tourism sector, poised to contribute to achieving key government economic policies like the Tourism Agenda 2018-2022, the National Tourism Blueprint 2030, and the Big-Four Agenda. However, due to the volatility of the tourism industry, stiff competition, rigid tourism policies, and pandemics, tour operators’ performance has recorded a 2% steady decline since 2011. Therefore, this paper explores the upscaling of performance using a differentiation strategy among tour operator companies in Nairobi City County. The study followed a descriptive design approach, with the balanced scorecard and Porter’s generic strategies forming the theoretical basis. Fifteen (15) company owners and 210 managers participated in the study. Data were collected using structured questionnaires and interviews. Stratified simple random sampling was used to sample respondents from the companies while purposive sampling was used to select company owners. Data collected were analyzed in SPSS (Ver.26) using descriptive statistics to infer variable characteristics. Inferential statistics; Pearson correlation, ANOVA, and simple linear regression were used to detect the strength of the relationship and test the hypothesis. Correlation analysis revealed a strong positive relationship between differentiation strategy and organizational performance (r=0.77, P=0.000), leading to the rejection of the null hypothesis. Regression analysis revealed an adjusted R2(0.602) indicating that differentiation strategy explains 60.2% of organizational performance’s variation (b=0.594, P=.000). The study recommends that tour operator companies should develop innovative packages based on place and price and significantly invest in R&D to enhance a strong brand for optimal performance. This study provides policymakers with an avenue to scrutinize levels of organizational performance using a strategic management approach.
Magnetic Resonance Neuroimaging of Inflammatory Bowel Disease

Inflammatory bowel disease (IBD) is a lifelong, relapsing, chronic inflammatory disease of the digestive tract that can be brought on by a number of different etiologies. Studies have shown that patients with IBD also have nervous system involvement in addition to well-known extra-intestinal symptoms like arthritis and iritis, and researchers believe that neurological lesions in patients with IBD may be an important extra-intestinal manifestation. Currently, tentative findings from studies employing magnetic resonance imaging to study the brain structure and function of patients with IBD have been made.
Morphodynamic study of the corona mortis using the SimLife® technology

Purpose Open book pelvic ring fractures are potentially life-threatening, due to their instability and major hemorrhage risk. During the open reduction and internal fixation, the pelvic approach remains a technical challenge, as the surgeon wants to prevent any iatrogenic damage of the vascular loop located in the retro-pubic area called corona mortis (CMOR). Recently, the cadaver perfused SimLife ® technology has been developed to improve the surgeon training, out of the operating room. This study aimed to compare two models of cadaveric dissection, to assess the interest of the perfused SimLife ® in providing dynamic aspect of anatomy in the identification of CMOR and its topography. Methods Twelve human cadaveric pelvises have been dissected, following two protocols. 12 hemi-pelvises of the dissections were performed without perfusion (Model A), whereas the 12 other hemi-pelvises have been prepared with the SimLife ® pulsatile perfusion (Model B). The prevalence and morphologic parameters determined: length, diameter and distance between the CMOR and the pubic symphysis. Results The CMOR has been found in 66.67% of the cases. The length, the diameter, and the distance between the CMOR and the pubic symphysis were significantly higher in model B (respectively p = 0.029, p = 0.01, and p = 0.022). Conclusion These results suggest that the CMOR is easier to identify and to dissect with the SimLife ® perfusion. As part of the surgical training of any trauma surgeon, this model could help him to keep in mind the CMOR topography, to improve the open book lesion management.
VRI CCD SURFACE PHOTOMETRY OF SEYFERT 1, SEYFERT 2 AND INTERMEDIATE SEYFERT-TYPE GALAXIES

VRI CCD surface photometry of 27 both isolated and interacting Seyfert galaxies (8 Seyfert 1, 14 Seyfert 2 and 5 intermediate types) is used to examine possible differences in their broad-band properties. All Seyfert types occupy host galaxies representing almost the same Hubble classification. Seyfert 1 galaxies have bluer nuclei than Seyfert 2s, while intermediate types have intermediate properties or properties closer to Seyfert Is. Disc colours and structural parameters, however, are the same. More than 50 per cent of the Seyfert galaxies (42 per cent of the Seyfert 1 and 60 per cent of the Seyfert 2) are barred galaxies which may be higher than that found in 'normal' galaxy samples.
Environmentally Benign Green Synthesized Chitosan-pNIPAm Composite Hydrogel

To overcome the recent hassles of hydrogels like toxicity, low swelling, and less antibacterial activity, we developed silver nanoparticles (AgNPs) loaded hydrogel and tested its activity against Escherichia coli. Encapsulation of AgNPs into the hydrogel confirms after having peaks at 1,320 cm-1, ~1,700 cm-1, ~3,000 cm-1 and 770 cm-1. The nanoparticles' size range was 10-15 nm and they were distributed throughout the hydrogel with unreacted plant extract. The highest inhibition zone of nanoparticle-loaded hydrogel was 15 nm, at 25 °C, pH 4.4 and the lowest was 7 nm at 37 °C, pH 9.4. Results encourage the use of developed hydrogel for biomedical applications.
A new analytical approach of nonlinear thermal buckling of FG-GPLRC circular plates and shallow spherical caps using the FSDT and Galerkin method

A new analytical approach for nonlinear thermal buckling of Functionally Graded Graphene Platelet Reinforced Composite (FG-GPLRC) circular plates and shallow spherical caps using the first-order shear deformation theory (FSDT) is presented in this paper. The circular plates and shallow spherical caps are assumed to be subjected to uniformly distributed thermal loads. By applying the Galerkin method, the relations between thermal load–deflection are achieved to determine the postbuckling behavior and critical buckling loads of the considered structures. Special effects on the nonlinear thermal behavior of circular plates and shallow spherical caps with five different material distribution laws, different Graphene platelet (GPL) mass fractions, and geometrical dimensions are explored and discussed in numerical examples.
High School Students Awareness and Attitudes Toward Climate Change

Climate change is a tremendous threat to the environment and human beings. Students are among the younger generation who immediately feel the effects of climate change. The younger generation is expected to have the knowledge and a positive attitude toward the framework for climate change adaptation and mitigation. The objectives of this study describe awareness and attitudes concerning climate change held by 611 high school students in South Sumatra. The methods of this study employed qualitative research. The findings of this research indicated that 98.4% of students were aware of climate change. Additionally, more than 80% of students know climate change contributes to droughts, floods, declining water quality, and the spread of vector-borne illnesses such as dengue fever and malaria. 95.7 % of students have a positive attitude toward mitigating climate change.
An invariant on 3-dimensional Lie algebras

We construct an extra symmetric bilinear form on a 3-dimensional Lie algebra g which induces an invariant X(g) on g . Moreover it provides a new viewpoint for the classical classification of 3-dimensional Lie algebras In this note, we shall construct an extra symmetric bilinear form S on a 3-dimensional Lie algebra, which provides new viewpoints for the classical classification of 3-dimensional Lie algebras. Let g be a 3-dimensional Lie algebra with the Lie bracket [, ] over a field k of characteristic $& 2. Let {ei, e2, e3} be a fixed basis. There is a canonical identification A2g* 9 g by el = e2* A e*, e2 = e* A el*, and e3 = e* Ae2 where {e*, e2*, e*} is the dual basis of g* with respect to {e,, e2, e3}. Then the bracket [, E E (A2 g*) 0 g is considered as an element of g 0 g by the identification and induces a bilinear form L: g* x *-+ k, which is invariant under the change of a basis up to scalar multiplications in k. If we set the structure constants of the bracket [ , ] by [e2, e3] = a,Iel + al2e2 + al3e3, [e3, el] = a2lel + a22e2 + a23e3, (1) [el , e2] = a3lel + a32e2 + a33e3, then the representation matrix of L with respect to the basis {ej*, e2*, e*} is written by A = (aij)iJ,=l,2,3. If we change the basis on g by a matrix P = (Pi)i, j=1, 2,3 E GL(3, k) such that el= 3 pijei then new structure constants A' are given by A' = (det P)P-lAtP-1 . Now, we define another bilinear form S: g x g -+ k by (2) S(u, v) = L(u*, v*)L(u4, v*)-L(u4, v*)L(u4, v*) for u, v E, where u = u* A u2 and v = v Av * with respect to the identification A2 g* g. Then it can be easily checked that the representation matrix of S coincides with the cofactor matrix A* of A. Since A'* = tPA*P, the bilinear form S is determined independently of the choice of a basis. The following lemma is immediately obtained from the Jacobi identity. Received by the editors October 3, 1990. 1991 Mathematics Subject Classification. Primary 1 7B05; Secondary 1 7B30.
Diamond-P-vCube: An Eventually Perfect Hierarchical Failure Detector for Asynchronous Distributed Systems

In this work, we introduce ◊P-vCube, a push-based failure detector for asynchronous distributed systems. Processes running ◊P-vCube are hierarchically organized on the vCube virtual topology, which presents several logarithmic properties. As there are no bounds on communication delays and process execution times, false suspicions may occur. To ensure eventual accuracy, a process exits the system when it learns that it has been suspected by another process or suspects every other process. We show that ◊P-vCube guarantees completeness in any situation, and eventual accuracy if all correct processes remain strongly connected among themselves. We implemented the proposed algorithm using simulation and presented comparison results with the traditional all-test-all solution and a ring approach. The results demonstrate the trade-off between the speed of detecting actual failures and the number of messages used, as well as the scalability of ◊P-vCube.
The diffuse aurora: A significant source of ionization in the middle atmosphere

Energetic electrons can penetrate into the middle atmosphere causing excitation, dissociation, and ionization of neutral constituents, resulting in chemical changes. In this paper, representative electron spectra measured by the Upper Atmosphere Research Satellite particle environment monitor are used to determine the relative contributions of bremsstrahlung X rays and direct electron impact on the energy deposition and ionization production rates for altitudes between 20 and 150 km. Above 50 km most of the ionization comes from direct electron impact. However, in the stratosphere the energy contributed below 50 km is mostly due to bremsstrahlung X rays. In the diffuse aurora the ionization from the bremsstrahlung component exceeds that due to the galactic cosmic ray background to altitudes as low as 30 km during geomagnetically active periods. This paper demonstrates that a diffuse auroral source can input as much or more energy into the upper portion of the lower and middle atmosphere as previously reported for relativistic electron events. The effects of the diffuse aurora (including both the direct electron and the bremsstrahlung contributions) on atmospheric chemistry may be significant.