Miracle-dz/UniFAR-FTUs huggingface dataset:
Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF3 and halogen (Cl or Br or I) substituted benzamides

A total of 23 benzamides are obtained through a simple reaction between chloro-/bromo-/iodoaniline and trifluoromethylbenzoyl chloride and characterized using single-crystal X-ray diffraction. Crystal structures of three series of benzamides based on N-chlorophenyl–trifluoromethyl–benzamide (nine compounds), N-bromophenyl–trifluoromethyl–benzamide (six compounds), and N-iodophenyl–trifluoromethyl–benzamide (eight compounds) are prepared to analyse the halogen-mediated noncovalent interactions. The influences of Cl/Br/I and trifluoromethyl substituents on the respective interactions are examined in the presence of a strong N—H.O hydrogen bond. This exercise has resulted in the documentation of frequently occurring supramolecular synthons involving halogen atoms in the crystal packing of benzamide molecules in the solid state. In the present study, a detailed quantitative evaluation has been performed on the nature, energetics, electrostatic contributions, and topological properties of short and directional intermolecular interactions derived from the electron density on halogenated benzamides in the solid state. Besides these, the occurrence of three-, two- and one-dimensional isostructurality in halogen (Cl or Br or I) substituted benzamide analogues is also investigated. A `region of co-existence' involving halogen-based intermolecular interactions in the vicinity of the sum of the van der Waals radii has been identified. Thus, the nature of the halogen (effective size), type of interaction and the packing characteristics via presence of additional interactions establish the subtle, yet important, role of cooperativity in intermolecular interactions in crystal packing.
Predicting in multivariate incomplete time series. Application of the expectation-maximisation algorithm supplemented by the Newton-Raphson method

Statistical practice requires various imperfections resulting from the nature of data to be addressed. Data containing different types of measurement errors and irregularities, such as missing observations, have to be modelled. The study presented in the paper concerns the application of the expectation-maximisation (EM) algorithm to calculate maximum likelihood estimates, using an autoregressive model as an example. The model allows describing a process observed only through measurements with certain level of precision and through more than one data series. The studied series are affected by a measurement error and interrupted in some time periods, which causes the information for parameters estimation and later for prediction to be less precise. The presented technique aims to compensate for missing data in time series. The missing data appear in the form of breaks in the source of the signal. The adjustment has been performed by the EM algorithm to a hybrid version, supplemented by the Newton-Raphson method. This technique allows the estimation of more complex models. The formulation of the substantive model of an autoregressive process affected by noise is outlined, as well as the adjustment introduced to overcome the issue of missing data. The extended version of the algorithm has been verified using sampled data from a model serving as an example for the examined process. The verification demonstrated that the joint EM and Newton-Raphson algorithms converged with a relatively small number of iterations and resulted in the restoration of the information lost due to missing data, providing more accurate predictions than the original algorithm. The study also features an example of the application of the supplemented algorithm to some empirical data (in the calculation of a forecasted demand for newspapers).
Lipid raft signaling in cofilin-actin rod formation induced by amyloid-β and TNFα

ii ACKNOWLEDGMENTS . v Introduction . 1 Materials and Methods . 14 Materials. 14 Cell Cultures. 14 Adenovirus Production. 14 Adenoviral Infection. 16 TNF α Preparation. 16 Amyloid Beta Peptide Preparation. 16 Alexa-CTxB Preparation. 17 Fixation and Immunostaining. 17 Live Cell Imaging. 17 Analysis and Statistics. 18 Results and Discussion . 19 Creating MCP driven R21Q cofilin-RFP and NSE driven WT cofilin-RFP adenovirus . 19 Quantification of cofilin-rod formation . 23 The effect of photo stress in the induction of neuronal rods . 26 TNFα induced cofilin-rod formation . 29 Aβd/t induced cofilin-rod formation . 31 The fidelity of R21Q cofilin-RFP labeling rods induced by TNFα and Aβd/t . 33 The role of lipid rafts in TNFαand Aβd/tinduced rod formation . 37 Future Directions for Research . 45 References . 47
Does Liability of Newness Matter for Digital Startup on Early Stage of Organizational Life Cycle?

This study aims to test and analyzes the relationship between organizational life cycle characteristics and survivability of a digital startup in the early stage. In establishing new startup and managing early stage, founders have been facing two-fold pages. On one side, the opportunities exploration and exploitation require freedom to acts. On the other side, newly organization faces liability of newness traps that consider organizational formalization and organizational capability. The relationship among aspects is formulated as two-paths mediating roles on the impact of liability of newness and startup survivability. Questionnaires were distributed to 415 respondents in Greater Jakarta City, Indonesia. The study considered Jakarta represented Indonesian digital startup ecosystem. This newly established and still developing startup ecosystem that characterizes the early stages of OLC is considered relevant to the study. The data was analyzed quantitatively using SEM method. The result shows the linkage between the two-paths of mediating role. Since the opportunities are central of mindset for survivability, external legitimacy becomes antecedents of external opportunities as well as reliability and accountability required from organizational formalization and capability. Founders need to understand and translate the impact of liability of newness to establish an appropriate and better organization formalization and organization capability for startup survivability. This study contributes to enrich the early stage of organizational life cycle theory as well as to enhance startup founders’ managerial practices.
Synthesis of Gold Nanoparticles Capped-Benzoic Acid Derivative Compounds (o-, m-, and p-Hydroxybenzoic Acid)

The effect of a hydroxyl functional group of the benzoic acid derivative compound, i.e. o-hydroxybenzoic acid, m-hydroxybenzoic acid, and p-hydroxybenzoic acid on the synthesis of AuNPs has been studied. It was revealed that the pH, heating time, the concentration of capping agent and the concentration of Au3+ affected the formation of AuNPs. We discovered that o-hydroxybenzoic acid possessed the highest stability, yet it needed the highest concentration of Au3+ and faster reaction time than p-hydroxybenzoic acid and slower than m-hydroxybenzoic acid. The stability was verified by means of UV-Vis spectrophotometer, XRD, TEM, Particle Size Analyzer (PSA), and Zeta Potential with an aging time of more than 5 months. We concluded that o-hydroxybenzoic acid acquired the most effective redox reaction instead of m-hydroxybenzoic acid and p-hydroxybenzoic acid, resulted in the smaller sized and unaggregated AuNPs. We also confirmed that the hydroxyl group of o-hydroxybenzoic acid, m-hydroxybenzoic acid and p-hydroxybenzoic acid is the functional group responsible for the reduction of Au3+ to Au0.
Food insecurity and lipid profile abnormalities are associated with an increased risk of non- alcoholic fatty liver disease (NAFLD): a case-control study in northwest of Iran

Background Non-alcoholic fatty liver disease (NAFLD) is an important public health problem and a significant cause of morbidity and mortality. Little is known about the relation between food insecurity and NAFLD. This study aimed to assess the relationship between food insecurity, risk factors associated with food insecurity, and NAFLD prevalence in a sample of Iranian adults.Methods In this age-matched and gender-matched case–control study, 210 subjects were recruited. NAFLD diagnosis was performed by a single expert radiologist using ultrasonography. The demographic and socioeconomic characteristics, anthropometric indices, body composition, along with food insecurity and depression status were assessed. Blood samples were collected to determine the lipid profile parameters. Chi-square, independent samples t-test, and uni-and multi-variate logistic regression tests were used. Data were analysed using SPSS V.23.0.Results The prevalence of food insecurity was 56.8% and 26.1% in cases and controls ( P<0.001 ), respectively. According to final analysis model, food insecurity, depression, number of children ≥ 4, overweight, and obesity were identified as significant independent risk factors for NAFLD. The chance of NAFLD in the food insecure, depressed, overweight, and obese subjects was 2.2 (95%CI: 1.12-3.43), 1.9 (95%CI: 1.02-3.62), 2.6 (95%CI: 1.81-3.92), and 2.9 (95%CI: 2.02- 5.34) times higher, respectively. Additionally, a higher waist circumference (men, OR = 2.9, P < 0.001 ; women, OR= 2.6, P< 0.001 ), an elevated waist-to-hip ratio (men, OR=2.3, P<0.001 ; women, OR=2.7, P<0.001 ), an increased waist-to-height ratio (OR=2.9, P<0.001 ), and a higher body fat percentage (men, OR=3.0, P<0.001 ; women, OR=3.3, P<0.001 ) were independently associated with an increased risk of NAFLD. The odds of NAFLD increased by increment in serum triglyceride (TG) levels (OR=2.6, P<0.001 ) and decreased by increase in serum high-density lipoprotein cholesterol (HDL-C) (OR=0.34, P<0.001 ). Compared to controls, NAFLD patients were more likely to have higher TG/HDL-C ratio (OR =3.3, P<0.001 ). Conclusions The prevalence of food insecurity in patients with NAFLD was significantly higher compared to controls. Food insecurity was associated with an increased risk of NAFLD, even after adjusting for potential confounding factors. Additionally, NAFLD was significantly related to some indicators of dyslipidemia.
Comparisons of wave dynamics in Hodgkin-Huxley and Markov-state formalisms for the sodium (Na) channel in some mathematical models for human cardiac tissue

We compare and contrast spiral- and scroll-wave dynamics in five different mathematical models for cardiac tissue. The first is the TP06 model, due to ten Tusscher and Panfilov, which is based on the Hodgkin-Huxley formalism; the remaining four are Markov-state models, MM1 WT and MM2 WT, for the wild-type (WT) Na channel, and MM1 MUT and MM2 MUT, for the mutant Na channel. Our results are based on extensive direct numerical simulations of waves of electrical activation in these models, in two- and three-dimensional (2D and 3D) homogeneous simulation domains and also in domains with localised heterogeneities, either obstacles with randomly distributed inexcitable regions or mutant cells in a wild-type background. Our study brings out the sensitive dependence of spiral- and scroll-wave dynamics on these five models and the parameters that define them. We also explore the control of spiral-wave turbulence in these models.
Energy Efficient Algorithm for High Speed Packet Data Transfer on Smartphone Environment

Energy efficiency is the main concern of the 21st century. The smartphone could be a trendy battery operated device and also the experience of the smartphone usage is entirely counting on the battery life. The state of the Smartphone can be Screen_OFF and Screen_ON. Majority of the time spent by the user on the phone is in screen off mode however 30% to 40% of the battery power consumption in this state through Always_On Apps. These apps send tiny burst to their server for various functions at a specific interval of time and keep RRC state busy. This paper proposes an energy-efficient algorithm for high-speed packet data transfer on a Smartphone called PSEO (PS Energy Optimization). It schedules data communication throughout the screen off state based on the radio signal quality. PSEO regulate Data_ON and Data_OFF period while not affecting the user convenience based on the independent value of RSRQ. The proposed research saves the energy up to 28.88%, 78.60% and 16.20% on average of total network energy, Screen_Off energy, and overall smartphone energy respectively
Water-in-Diesel Emulsion - An Eco-Friendly Fuel for Stationary Diesel Engines

The primary object of the present investigation is to evaluate the performance characteristics of a small-utility stationary diesel engine adopting water in diesel emulsion for carrying out the ex-periments, the emulsion was used in a four stroke single cylinder direct injection diesel en- gine and was obtained with the aid of a mechanical mixer. A large reduction of NOX concentration was obtained by using different concentration of water in fuel emulsion. Furthermore improve-ment of fuel economy and reduction of exhaust smoke were obtained.
1,2-Dicarbonyl Radicals with Exceptional Physiological and Chemical Stability

<div>The present manuscript describes the design, synthesis, and characterization of the most stable organic radical reported up to date. </div><div><br></div><div>Here we report:</div><div>▪ Synthesis and full characterization including X-ray structure of stable 1,2-dicarbonyl radicals</div><div>▪ Proposed mechanism for the formation of the presented radicals</div><div>▪ Redox reactivity of the radicals</div><div>▪ Stability of the radicals under various organic and inorganic conditions</div><div>▪ Demonstration of the radicals as potential organic radical contrast agent candidate</div><div><u></u></div>
Temporal development of total chlorine in the high‐latitude stratosphere based on reference distributions of mean age derived from CO2 and SF6

[1] We present balloon-borne observations of CO2 and SF6 and derived vertical profiles of mean age for polar winter (inside vortex) and for midlatitude (nonwinter) conditions. For SF6-derived mean ages above 5 years a mesospheric SF6 sink may lead to an overestimation of mean age, while for younger mean ages (below 2 years) the seasonal cycle of CO2 may influence the mean age determination based on CO2. We suggest that SF6 be used as an age tracer in the lower part of the stratosphere (i.e., for low mean age), whereas CO2 will be the better age tracer for older air. The mean age distributions together with an estimate of the width of the age spectrum are used to estimate the stratospheric chlorine loading. On the basis of an emission scenario and the lifetimes of chlorine-containing compounds we estimate the future stratospheric chlorine loading. Inside the polar vortex, at an altitude of 20 km, we expect total chlorine to return to the values present in this region in 1980, when the ozone hole first appeared, around the year 2060. This estimate is based on the assumption that the general transport characteristics will not change over the period of the analysis and can thus be regarded as a best estimate based on stationary transport, the assumed set of lifetimes and emissions, and the mean age distribution derived from our measurements. As other factors influencing ozone may undergo temporal changes, this does not mean that ozone will necessarily recover at this time. While total chlorine is probably a good proxy for inorganic chlorine at altitudes above 20 km inside the polar vortex, the changing halocarbon mix may actually lead to an earlier return of inorganic chlorine to pre-ozone-hole values at lower altitudes.
Backbone features Encoder Encoder Encoder DS module DS module ... ... Score maps Fusion Fusion

Shadow detection is an important and challenging task for scene understanding. Despite promising results from recent deep learning based methods. Existing works still struggle with ambiguous cases where the visual appearances of shadow and non-shadow regions are similar (referred to as distraction in our context). In this paper, we propose a Distraction-aware Shadow Detection Network (DSDNet) by explicitly learning and integrating the semantics of visual distraction regions in an end-to-end framework. At the core of our framework is a novel standalone, differentiable Distraction-aware Shadow (DS) module, which allows us to learn distraction-aware, discriminative features for robust shadow detection, by explicitly predicting false positives and false negatives. We conduct extensive experiments on three public shadow detection datasets, SBU, UCF and ISTD, to evaluate our method. Experimental results demonstrate that our model can boost shadow detection performance, by effectively suppressing the detection of false positives and false negatives, achieving state-of-the-art results.
Profile Closeness in Complex Networks

We introduce a new centrality measure, known as profile closeness, for complex networks. This network attribute originates from the graph-theoretic analysis of consensus problems. We also demonstrate its relevance in inferring the evolution of network communities. Keywords: Complex networks, Centrality, Community, Median, Closeness, Consensus theory
Effects of ternary metal additions on corrosion of spark plasma sintered Ni-Fe alloys in H2SO4 and NaCl

Effect of ternary additions on electrochemical behavior of Ni-Fe binary alloys developed by Spark Plasma Sintering (SPS) were investigated and reported. All specimens revealed common passivity behavior in H 2 SO 4 . Both binary and ternary alloys did not reveal passivity region under saline conditions. The alloys have lower corrosion rates in NaCl than in H 2 SO 4 . Binary Ni 50 Fe 50 alloy is characterized by large pits in H 2 SO 4 and homogeneous corrosion on surface in NaCl. Ni 50 Fe 40 Ta 10 shows better passivity in 1 M H 2 SO 4 and Ni 50 Fe 40 Al 10 has the lowest corrosion rate in 3.5 wt. % NaCl. KEY WORDS : Spark plasma sintering, Corrosion, Ni-Fe based alloy, Ternary alloys, Powder metallurgy Bull. Chem. Soc. Ethiop. 2018 , 32(2), 337-349. DOI: https://dx.doi. org/10.4314/bcse.v32i2. 12
Air Quality

Abstract:The Winter 2021-22 Issue. Ploughshares is an award-winning journal of new writing. Since 1971, Ploughshares has discovered and cultivated the freshest voices in contemporary American literature, and now provides readers with thoughtful and entertaining literature in a variety of formats. Find out why the New York Times named Ploughshares "the Triton among minnows. "The Winter 2021-22 Issue, edited by Editor-in-chief Ladette Randolph and Poetry Editor John Skoyles, features original poetry and prose by Yasmine Ameli, Beth Bachmann, Despy Boutris, Danielle Cadena Deulen, Leila Chatti, Andy Chen, Kwame Dawes, Lara Egger, William Fargason, Rebecca Foust, Daniel Garcia, Mike Good, J.P. Grasser, Jamella Hagen, Hannah Hirsh, Christiane Jacox, Tatiana Johnson-Boria, Andrew Koch, Kimberly Kruge, Michael Mark, Laura Minor, Nancy Mitchell, Stacy R. Nigliazzo, John Okrent, Christina Olson, Michelle Orsi, Courtney Queeney, brittny ray crowell, Hilda Raz, Kristin Robertson, Bobby C. Rogers, Aaron Smith, Adam Tavel, Anna Tomlinson, Corey Van Landingham, Ross White, El Williams III, Ed Falco, Lynn Kilpatrick, Diem Nguyen, Andrew Porter, Sonia Phillips Resika, Eric Roy, Sarah-Jane Stratford, Fei Sun, Meg Todd, Weike Wang, Michael Downs, Sherrie Flick, Mameve Medwed, and Springs Toledo.
Improving Automated Symbolic Analysis of Ballot Secrecy for E-Voting Protocols: A Method Based on Sufficient Conditions

We advance the state-of-the-art in automated symbolic analysis of ballot secrecy for e-voting protocols by proposing a method based on analysing three conditions that together imply ballot secrecy. Our approach has two main advantages over existing automated approaches. The first is a substantial expansion of the class of protocols and threat models that can be automatically analysed: our approach can systematically deal with (a) honest authorities present in different phases, (b) threat models in which no dishonest voters occur, and (c) protocols whose ballot secrecy depends on fresh data coming from other phases. The second advantage is that our approach can significantly improve verification efficiency, as the individual conditions are often simpler to verify. E.g., for the LEE protocol, we obtain a speedup of over two orders of magnitude. We show the scope and effectiveness of our approach using ProVerif in several case studies, including the FOO, LEE, JCJ, and Belenios protocols.
Physics Parameterization Selection in RCM and ESM 
Simulations Revisited: New Supporting Approach 
Based on Empirical Copulas

This study aims at a new supplementary approach to identify optimal configurationsof physics parameterizations in regional climate models (RCMs) and earth system models (ESMs). Traditional approaches separately evaluate variable performance, which may lead to an inappropriateselection of physics parameterization combinations. Besides traditional approaches, we suggest anadditional selection approach by considering the joint dependence structure (covariance structure)between key meteorological variables, i.e., precipitation P and temperature T. This is accomplishedby empirical P and T copula functions and the χ2-test, and is demonstrated in two locationsin Kenya with different major precipitation processes. It is shown that the selection based ontraditional approaches alone may lead to nonoptimal decisions in terms of joint dependence structurebetween P and T. It was found that the copula-based approach may reduce the need for complexmultivariate bias correction, as demonstrated using local intensity scaling for P and linear scaling forT. The new approach may contribute to improving RCM and ESM simulations and climate-impactstudies worldwide.
Health Information National Trends Survey

The information we collect in this study is in accordance with the clearance requirements of the paperwork Reduction Act of 1995. We may not conduct or sponsor, and you are not required to respond to, a collection of information unless it displays a valid control number from the Office of Management and Budget in the Federal Government. We estimate that it will take you between 20 and 30 minutes to answer our questions in this interview. This includes the time it takes to hear the instructions, gather the necessary facts, and complete the interview. Send comments regarding this burden estimate or any other aspect of this collection of information, including suggestions for reducing this burden to: NIH, Project Clearance Branch, 6705 Rockledge Drive, MSC 7974, Bethesda, MD 20892-7974, ATTN: PRA (0925-xxxx)
Ambient Mercury Observations near a Coal-Fired Power Plant in a Western U.S. Urban Area

We report on the continuous ambient measurements of total gaseous mercury (TGM) and several ancillary air quality parameters that were collected in Colorado Springs, CO. This urban area, which is located adjacent to the Front Range of the Rocky Mountains, is the second largest metropolitan area in Colorado and has a centrally located coal-fired power plant that installed mercury (Hg) emission controls the year prior to our study. There are few other Hg point sources within the city. Our results, which were obtained from a measurement site < 1 km from the power plant, show a distinct diel pattern in TGM, with peak concentrations occurring during the night (1.7 ± 0.3 ng m−3) and minimum concentrations mid-day (1.5 ± 0.2 ng m−3). The TGM concentrations were not correlated with wind originating from the direction of the plant or with sulfur dioxide (SO2) mixing ratios, and they were not elevated when the atmospheric mixing height was above the effective stack height. These findings suggest that the current Hg emissions from the CFPP did not significantly influence local TGM, and they are consistent with the facility’s relatively low reported annual emissions of 0.20 kg Hg per year. Instead, variability in the regional signal, diurnal meteorological conditions, and/or near-surface emission sources appears to more greatly influence TGM at this urban site.