Miracle-dz/UniFAR-FTUs huggingface dataset:
Human Versus Artificial Intelligence: A Data-Driven Approach to Real-Time Process Management During Complex Engineering Design

Managing the design process of teams has been shown to considerably improve problem-solving behaviors and resulting final outcomes. Automating this activity presents significant opportunities in delivering interventions that dynamically adapt to the state of a team in order to reap the most impact. In this work, an artificial intelligence (AI) agent is created to manage the design process of engineering teams in real time, tracking features of teams’ actions and communications during a complex design and path-planning task in multidisciplinary teams. Teams are also placed under the guidance of human process managers for comparison. Regarding outcomes, teams perform equally as well under both types of management, with trends toward even superior performance from the AI-managed teams. The managers’ intervention strategies and team perceptions of those strategies are also explored, illuminating some intriguing similarities. Both the AI and human process managers focus largely on communication-based interventions, though differences start to emerge in the distribution of interventions across team roles. Furthermore, team members perceive the interventions from both the AI and human manager as equally relevant and helpful, and believe the AI agent to be just as sensitive to the needs of the team. Thus, the overall results show that the AI manager agent introduced in this work is able to match the capabilities of humans, showing potential in automating the management of a complex design process.
Two-Dimensional, Ordered, Double Transition Metal Carbides (MXenes): A New Family of Promising Catalysts for the Hydrogen Evolution Reaction

Generation of hydrogen by splitting water with the electrocatalytic approach could become a more sustainable way following the discovery of new materials, such as the 2D transition-metal carbides. Developing eco-friendly, low-cost, stable, and highly active nonprecious hydrogen evolution reaction (HER) catalysts is one of key factors for hydrogen energy economy. Two-dimensional metal carbide and nitride (MXenes) materials have shown characteristics of promising HER catalysts. Herein, we explored the conductive and thermal stability and electrocatalyst performance of four 2D ordered double MXenes M2′M″C2, Cr2TiC2, Cr2VC2, Mo2TiC2, and Mo2VC2, and their corresponding oxygen (O*)- or hydroxyl (OH*)-terminated MXenes by using density functional calculations. Results indicated that all the above MXenes are conductive, which are favored to charge transfer during HER. Four MXenes are fully terminated by O* under standard conditions [pH = 0, p(H2) = 1 bar, U = 0 V]. The Gibbs free energy for the adsorption of ato.
Chemical vapor deposition of functional and conformal polymer thin films for the formation and modification of nanostructures

Autonomous mini- and microscale devices require the miniaturization of component devices such as on board integrated circuits (ICs) and electrochemical power sources. A paradigm shift to micro/nanostructured 3D geometries can enable high device performance within a small areal footprint. Fabrication of such devices requires processes to form structures in a material of interest and subsequently modify the structure with additional functional materials. This thesis explores the chemical vapor deposition (CVD) of polymer thin films to enable both the formation and modification of nanostructures. The CVD method allows for simultaneous polymer synthesis and thin film formation. The broad range of applications studied in this thesis all benefit from the single-step, in-situ control of the final polymer functionality and thin film properties enabled by the CVD of polymers. The first portion of this thesis studies the formation of nanostructures for ICs via the directed self-assembly (DSA) of block copolymers (BCPs). Initiated CVD (iCVD) is used to form cross-linked poly(divinyl benzene) (pDVB) films that control the orientation of self-assembled BCPs. The cross-linking mechanism of pDVB is first ascertained to form durable films. In-situ chemical modification of iCVD pDVB is then used to tune the final orientation of the selfassembled BCP film. A conformal iCVD pDVB film is then integrated into existing DSA processes to yield a nano-template that could be used to fabricate nanostructured ICs. The second portion of this thesis studies the modification of nanostructures by active and supporting materials used in electrochemical power systems. The iCVD process is used to develop conformal, solid polymer electrolytes, a supporting material for solid state lithium ion batteries. Out of several multi-vinyl cyclic chemistries, poly(tetravinyltetramethylcyclotetrasiloxane) (pV4D4) films displayed the highest ionic conductivity (10-⁷ S cm-¹) and high conformality. Active materials for supercapacitors were developed using the oxidative chemical vapor deposition (oCVD) of conductive polymers. The oCVD process was used to control the crystallographic texture of poly(3,4-ethylenedioxythiophene) (PEDOT) thin films. Edge-on texture maximized the pseudocapacitive charge storage of this material. Conformal PEDOT thin films on micro-structured current collectors enabled higher energy densities in a high power, asymmetric supercapacitor.
Redox-Mediator-Assisted Electrocatalytic Hydrogen Evolution from Water by a Molybdenum Sulfide-Functionalized Metal–Organic Framework

The Zr6-based metal–organic framework NU-1000 was successfully functionalized with candidate catalysts—MoSx units—via SIM (solvothermal deposition in MOFs) of molybdenum(VI), followed by reaction with H2S gas. The structure of the material, named MoSx-SIM, was characterized spectroscopically and through a single-crystal X-ray diffraction measurement. These measurements and others established that the catalyst is monometallic, with mixed oxygen and sulfur coordination, and that it forms from a MOF-node-supported molybdenum-based cluster featuring only oxy ligands. Notably, the formal potential for the MOF-grafted complex, like that for the metal–sulfur active site of hydrogenase, is nearly coincident with the formal potential for the hydrogen couple. Its effective concentration within the mesoporous MOF is several hundred millimolar, and its porous-framework-based immobilization/heterogenization obviates the need for aqueous solubility as a condition for use as a well-defined catalyst. MoSx-SIM was evaluat.
An Algorithmic Framework for Positive Action

Positive action is defined within anti-discrimination legislation as voluntary, legal action taken to address an imbalance of opportunity affecting individuals belonging to under-represented groups. Within this theme, we propose a novel algorithmic fairness framework to advance equal representation while respecting anti-discrimination legislation and equal-treatment rights. We use a counterfactual fairness approach to assign one of three outcomes to each candidate: accept; reject; or flagged as a positive action candidate.
Impact of Follow-up 18F-FDG PET on the Management in Patients With Lung Cancer

Purpose The incidence of lung cancer has increased steadily. We meta-analyzed to assess the impact of 18F-FDG PET on the management of lung cancer to detect recurrence/metastasis. Materials and Methods We performed systematic searches of Medline and Embase databases for English-language publications. All published studies regarding the impact of PET on the management of patients with lung cancer in detection of recurrence/metastasis were searched. The proportion of management change (%) defined as the percentage of patients who changed management after FDG PET to patients who had FDG PET was calculated. The data from each study were analyzed using MedCalc Statistical Software version 14.12. 0 (MedCalc Software, Ostend, Belgium). Results Eight studies including 523 patients were eligible for inclusion in the study. The impact of 18F-FDG PET for the purpose of detecting recurrence/metastasis in patients with lung cancer was evaluated using management change rates, which were ranged from 28.6% to 79.2% with a pooled effect of 61.4% (95% confidence interval, 49.5%–72.7%; I2 = 85.7%). In a subgroup analysis, impact of 18F-FDG PET was evaluated in studies of patients with non–small cell lung cancer with indication of abnormal findings of conventional imaging, elevated tumor markers, and clinical symptoms with the pooled rate of management change of 62.2% (95% confidence interval, 44.2%–78.5%; I2 = 88.0%). Conclusions We have highlighted that 18F-FDG PET has a major impact on the management of patients with recurrent lung cancer. These findings suggest that 18F-FDG PET should be performed in patients with lung cancer, especially in cases involving equivocal or suspicious recurrence/metastasis on conventional imaging, elevated tumor markers, or clinical symptoms during follow-up.
Destruction of C2H4O2 isomers in ice-phase by X-rays: Implication on the abundance of acetic acid and methyl formate in the interstellar medium

Abstract C2H4O2 isomers, methyl formate (HCOOCH3), acetic acid (CH3COOH) and glycoaldehyde (HOCH2CHO), have been detected in a lot of sources in ISM. However, their abundances are very different, with methyl formate much more abundant than the other two isomers. This fact may be related to the different destruction by ionizing radiation of these molecules. The goal of this work is experimentally study the photodissociation processes of methyl formate and acetic acid ices when exposed to broadband soft X-ray from 6 up to 2000 eV. The experiments were performed coupled to the SGM beamline in the Brazilian Synchrotron Light Source (LNLS/CNPEM) at Campinas, Brazil. The simulated astrophysical ices (12K) were monitored throughout the experiment using infrared vibrational spectroscopy. The analysis of processed ices allowed the determination of the effective destruction cross sections of the parent molecules as well as the effective formation cross section of daughter molecular species. The relative abundance between acetic acid and methyl formate (NCH3COOH/NHCOOCH3) in different astronomical scenarios and their column density evolution in the presence of X-rays were calculated and our results suggests that such radiation field can be one of the factors that explain the difference in the isomers C2H4O2 abundances. We also quantified the daugther species after the establishment of a chemical equilibrium in the samples.
Malware Analysis

— Malware, also known as malicious software affects the user’s computer system or mobile devices by exploiting the system’s vulnerabilities. It is a major threat to the security of the computer systems. Some of the types of malwares that are most commonly used are viruses, trojans, worms, etc. Nowadays, there is a widespread use of malware which allows malware author to get sensitive information like bank details, contact information which is a serious threat in the world. Most of the malwares are spread through internet because of its frequent use which can destroy large systems piercing through network. Hence, in this paper, we focus on analyzing malware using different tools which can analyze the malware in a restricted environment. Since many malware authors uses self-modifying code and obfuscation, it is very difficult for the traditional antivirus software to detect the malware which identifies that it is under scan and it can change its execution sequence. So, in order to address the shortcomings of the traditional antivirus software, we will be discussing some of the analysis tools which runs analysis on the malware in an effective manner and helps us to analyze the malware which can help us to protect our system’s information.
High Dielectric Constant Sulfonyl-Containing Dipolar Glass Polymers with Enhanced Orientational Polarization

Dipolar glass (DG) polymers, which utilize sub-Tg orientational polarization (Tg is the glass transition temperature) to enhance dielectric constants, are promising candidates for use in advanced electronic and power applications because conduction of space charges (electrons and impurity ions) is suppressed in the glassy state, and thus, the dielectric loss is low. In this study, we studied the effects of dipole density and dipole arrangement in sulfonyl-containing side-chain DG polymers on their dielectric performance in terms of dielectric constant, energy density, and dielectric loss. Monosulfonyl (i.e., CH3SO2-) and disulfonyl [i.e., CH3SO2(CH2)3SO2-] groups were quantitatively grafted to polyepichlorohydrin (monosubstitution) and poly(3,3-bis(chloromethyl)oxatane) (bis-substitution), respectively, in order to vary the dipole density and dipole arrangement in the side chains. As a result of orientation polarization from highly polar sulfonyl (4.5 D) groups, these DG polymers exhibited high apparent d.
The Fight against COVID-19: The Role of Drugs and Food Supplements

from a the that vaccine the therapeutic many different products tested, from antiviral to anti inflammatory drugs taken from the repertoire of other diseases, variable success. In the death toll of this viral infection remains quite high. Containment of the infection is based on mechanical devices (goggles and masks) that shield the entrance doors of the virus (eyes, nose, mouth), and on tight social restrictions to limit the possibility of contact among people living in a community. Nonetheless, the virus apparently survives for hours on different surfaces and in droplets suspended in the air and dispersed by the micro particulate that is so abundant in industrialized towns, thus reaching further away from the originator, and tricking human defenses. In this situation, a possible complementary – however unspecific – approach to limit the infectivity of the virus could be based on a range of natural compounds which may interfere with the diffusion of the virus within the body, and increase the efficacy of the immune defenses of the organism. This is meant to be a non-toxic, preventive or adjuvant treatment so that in case of infection, the symptoms might not develop to full scale, giving the organism more time and strength to fight it.
ENVIRONMENTAL HAZARDS OF COAL FIRE AND THEIR PREVENTION IN CHINA

Coal fire is a serious hazard in China and also in other coal-producing countries. A lot of studies have been done by many investigators. This paper analyzes the environmental hazards of coal fire and introduces the current prevention methods. The study reveals that coal fires in Northwest China still induce severe hazards. They result in serious air pollution, water pollution, ecological disturbance and geological disasters, which are analyzed in detail. The current coal fire prevention methods mainly focus on fire position detection and fire extinguishing. The detection methods of geological investigation, remote sensing, geophysical exploration and chemical detection are analyzed. In addition, the extinguishing methods of peeling and removing, water or grout injection, foam injection, gel injection, three-phase foam and sand-suspended slurry are also discussed. It can be concluded that some progresses have been made in coal fire prevention. However, because of the complexity of coal fire, it is still difficult to detect and extinguish coal fire efficiently.
A Simple Carbazole-Triphenylamine Hole Transport Material for Perovskite Solar Cells

In this work, a simple carbazole-based hole transport material with triphenylamine moieties, termed LD22, has been used in perovskite solar cells (PSCs). It is noted that LD22 exhibits a proper HOMO level of −5.27 eV, high hole mobility of 1.65 × 10–5 cm2 V–1 s–1, and relatively high glass-transition temperature of 132 °C. When LD22 was used in PSCs, pristine LD22-based PSCs showed a power conversion efficiency (PCE) of 13.04%. When LD22 is doped, the PCE improves to a promising 17.18%. More importantly, the concentration of LD22 has little influence on the PSC performance regardless of the existence of dopants, which shows good repeatability. As a reference, the device with doped 2,2′,7,7′-tetrakis(N,N-bis(4-methoxyphenyl)amino)-9,9′-spirobifluorene (spiro-OMeTAD) shows a PCE of 17.73%. On the other hand, the laboratory synthesis cost of LD22 is much lower than that of spiro-OMeTAD. Therefore, the results indicate that the simple carbazole-triphenylamine compounds own the potential to be doped-free HTM a.
Where's Wally? A Machine Learning Approach

Object detection has been implemented in all sorts of real-life scenarios such as facial recognition, trafﬁc monitoring and medical imaging but the research that has gone into object detection in drawings and cartoons is not nearly as extensive. The Where’s Wally puzzle books give a good opportunity to implement some of these real-life methods into the ﬁctional world. The Wally detection framework proposed is composed of two stages: i) a Haar-cascade classiﬁer based on the Viola-Jones framework, which detects possible candidates from a scenario from the Where’s Wally books, and ii) a lightweight convolutional neural network (CNN) that re-labels the objects detected by the cascade classiﬁer. The cascade classiﬁer was trained on 85 positive images and 172 negative images. It was then applied to 12 test images, which produced over 400 false positives. To increase the accuracy of the models, hard negative mining was implemented. The framework achieved a recall score of 84.61% and an F1 score of 78.54%. Improvements could be made to the training data or the CNN to further increase these scores.
Application of MODTRAN TM to Extra-Terrestrial Planetary Atmospheres

MODTRAN [1] is a widely used radiative-transfer (RT) code for computing the transmission and emission of the Earth’s atmosphere. However, the RT algorithms used in MODTRAN are generally applicable to any layered atmosphere, and, in principle, can be applied to any planetary atmosphere. The primary modification required for this application is the development of the appropriate spectral properties data bases for the particular species associated with a given planetary atmosphere. We demonstrate the application of a modified MODTRAN to Neptune for which the primary absorbing atmospheric species are H2, CH4, C2H6, and C2H2. For the carboncontaining species, we have developed molecular band model parameters, and for H2 we have utilized continuum parameters computed by others. Additionally, we have incorporated models to account for the CH4 and C2H6 clouds and hazes which form in the extremely cold upper atmosphere of Neptune. We present calculations both for the solar reflective spectral region, ~0.4-2 μm, as well as the thermal IR emission region, ~3-20 μm. Comparisons are made with archival data over the visible-long wavelength IR wavelength regime.
Integrated reporting and analyst behaviour in diverse institutional settings

Purpose Given the limited studies that have started to focus on contexts where integrated reporting (IR) is voluntarily adopted, this paper aims to explore the moderating role of institutional characteristics on the association between voluntary report release and analyst forecast accuracy. Design/methodology/approach This study uses a quantitative empirical research method grounded on voluntary disclosure theory to provide empirical evidence on an international sample of companies choosing to release integrated reports. Preliminarily, a cluster analysis is used to group countries according to institutional patterns. Multivariate analyses detect the associations between report release choice and analysts’ forecast accuracy across clusters. Multiple econometric approaches are used to address the endogeneity concerns. Findings IR release is not informative for the market unless considering systematic variations across different institutional settings. Analysts’ forecast is more accurate for IR adopters located in strong institutional enforcement settings than for all the other companies. In the strong institutional setting that is also characterized by a pluralistic society, IR release benefits for the market are conditioned by the fact that the choice to release IR depends on environmental, governance and social disclosure-based managers remuneration and disclosure requirements. In weak institutional settings, IR release is not beneficial for the forecast accuracy. Research limitations/implications Academics and practitioners can gain understanding of the usefulness of voluntary IR across different institutional settings. Originality/value The study advances the understanding of the IR’s informativeness, overcoming the common dichotomous distinctions between strong and weak institutional settings.
One-Pot Transformation of Waste Toner Powder into 3D Graphene Oxide Hydrogel

Waste toner powder is considered not only a recyclable resource but also a hazardous material, because it has a unique microstructure and complex compositions, so it should be properly and effectively disposed of. Herein, we selected waste toner powder as a precursor to synthesize a three-dimensional (3D) porous graphene oxide (GO) hydrogel by a one-pot transformation based on the improved Hummers’ method. A series of detection equipment such as a scanning electron microscope and a Raman spectrometer can be employed to probe the microstructure and formation mechanism of the 3D GO hydrogel. Our experimental results show that a 3D porous GO hydrogel with its excellent microstructure can be prepared by using waste toner powder as the precursor. It provides an effective way to dispose of waste toner powder for functional applications.
The Intellectual Structure of Business Analytics: 2002-2019

This paper identifies the intellectual structure of business analytics using document co-citation analysis (DCA) and author co-citation analysis (ACA). A total of 333 research documents and 17,917 references from the Web of Science were collected. A total of 15 key documents and nine clusters were extracted from the analysis to clarify sub-areas. Furthermore, burst detection and timeline analysis were conducted to gain a better understanding of the overall trends in business analytics. The main implication of the research results is in its ability to provide the state of past and present standards to practitioners and to suggest further research into business analytics to researchers.
Novel Methods for Modern NMR Spectroscopy - Optimized Pulses and New Experiments

Die NMR-Spektroskopie verdankt ihre Flexibilitat der Vielzahl moglicher NMR-Experimente. Im Rahmen dieser Arbeit wurden NMR Pulse, die Bausteine der Experimente, mit Methoden der Optimal Control Theory optimiert und mehrere neue Experimente entwickelt: Das CLIP-COSY, ein homonukleares Korrelationsexperiment, wird vorgestellt. Verbesserungen und theoretische Betrachtungen zum ASAP-HSQC, einem heteronuklearen Korrelationsexperiment, werden beschrieben. Abschliesend werden Experimente zur Analyse inhomogener und anisotroper Proben, die die Messung von RDCs vereinfachen, prasentiert.