Miracle-dz/UniFAR-FTUs huggingface dataset:
Convergence behavior of the Møller–Plesset perturbation series: Use of Feenberg scaling for the exclusion of backdoor intruder states†

The convergence behavior of the Moller–Plesset (MP) perturbation series is investigated utilizing MP correlation energies up to order 65 calculated at the full CI (FCI) level. Fast or slow convergence, initial oscillations, or divergence of the MPn series depend on the electronic system investigated and the basis set used for the FCI calculation. Initial oscillations in the MPn series are observed for systems with electron clustering due to the fact that MP theory exaggerates electron-correlation effects at even orders and corrects this at odd orders. In such cases, it is important that the s, p basis is first saturated before diffuse functions are added. With a VDZ+diff basis, too much weight is given to high-order correlation effects described by pentuple and higher excitations, which leads to the formation of artificial intruder states and to the divergence of the MPn series. This can be corrected by extending to VQZ or VPZ basis sets before one adds diffuse functions. Alternatively, one can use m-order Feenberg scaling to exclude backdoor intruder states from the convergence region of the MPn series. For all cases considered, divergence of the MPn series caused by unbalanced basis sets including diffuse functions can be suppressed by Feenberg scaling. Also, initial oscillations of the MPn series can be dampened and convergence acceleration of the MPn series achieved if the appropriate order of Feenberg scaling is determined for the problem in question. The relationship between electronic structure, basis set, and convergence of the MPn series is discussed. © 2000 John Wiley & Sons, Inc. Int J Quant Chem 76: 306–330, 2000
Ambient‐noise tomography of north Tibet limits geological terrane signature to upper‐middle crust

We use ambient‐noise tomography to map regional differences in crustal Rayleigh‐wave group velocities with periods of 8–40 s across north Tibet using the International Deep Profiling of Tibet and the Himalaya phase IV arrays (132 stations, deployed for 10–24 months). For periods of 8–24 s (sensitive to midcrustal depths of ~5–30 km), we observe striking velocity changes across the Bangong‐Nujiang and Jinsha suture zones as well as the Kunlun‐Qaidam boundary. From south to north, we see higher velocities beneath the Lhasa terrane, lower velocities beneath the Qiangtang, higher velocities in the Songpan‐Ganzi and Kunlun terranes, and the lowest velocities beneath the Qaidam Basin. Maps at periods of 34 and 40 s (sensitive to the middle and lower crust at depths of ~30–60 km) do not show evidence of changes across those boundaries. Any differences between the Tibetan terrane lower crusts that were present at accretion have been erased or displaced by Cenozoic processes and replaced almost ubiquitously by uniformly low velocities.
RESPONSE OF HERBS TO SHRUB REMOVAL ACROSS NATURAL AND EXPERIMENTAL VARIATION IN SOIL MOISTURE

Like many semiarid grasslands, large montane meadows of the Sierra Nevada Mountains, California (USA) have experienced widespread expansion of woody plants (here Rothrock sagebrush, or Artemisia rothrockii), a reduction in herbaceous species cover, and apparent aridification over the past century. Because soil moisture is an important limiting resource in this system, we investigated the interactive effects of shrub removal and soil moisture on herbaceous species recovery. We conducted replicated shrub removal experiments across four sagebrush habitats that differed in soil moisture, water table depth, and related characteristics (e.g., soil texture, initial total herbaceous cover, and initial shrub biomass). Changes in herb cover after shrub removal were monitored over four years that differed in spring snow pack, a critical source of water in this system. To more directly quantify the effects of soil moisture on shrub–herb competition, shrub removal was combined with experimental water addition in the m.
RESONANT TRANSMISSION THROUGH A PAIR OF RIDGE-LOADED CIRCULAR SUBWAVELENGTH APER -

This paper deals with resonant transmission through a pair of ridge-loaded circular sub-wavelength apertures in an infinite perfect electric conductor (PEC) plane. The effect of the distance between the two resonant circular sub-wavelength apertures allocated along the ridge direction (“parallel” case) and perpendicular to the ridge direction (“collinear” case) on the transmission cross section (TCS) is analyzed numerically by using a method of moments (MoM). It is found that the TCS for the parallel case varies more sensitively to the distance than that for the collinearly located case, and the maximum TCS for the parallel case is tripled compared to the TCS value of a single resonant aperture. For the case of maximum TCS in the parallel configuration, the directivity in the broadside direction is about 8.76 times (= 9.43 dB) compared to that for the single resonant aperture. For the purpose of validation, the single resonant aperture and a pair of resonant apertures in the parallel configuration with a distance for maximum TCS are fabricated on a stainless steel plate with 0.3 mm thickness, and their transmission characteristics are measured. Experimental results show that the transmittance, which is a transmitted power density measured at 50 cm away from the aperture plane, for the parallel resonant apertures is about 7 times (= 8.43 dB) higher than that for the single aperture, which agrees well with the simulation. Received 19 February 2012, Accepted 2 April 2012, Scheduled 9 April 2012 * Corresponding author: Junho Yeo (jyeo@daegu.ac.kr).
Bioprocess Design: Fermentation Strategies for Improving the Production of Alginate and Poly-β-Hydroxyalkanoates (PHAs) by Azotobacter vinelandii

Industrial interest in microbial polymers has been stimulated by their unique properties and the opportunity to develop new materials, which can be used for specific applications in medical and pharmaceutical industries. Azotobacter vinelandii produces two polymers of biotechnological importance; alginate, an extracellular polysaccharide, and poly-┚hydroxybutyrate (PHB), an intracellular polyester of the polyhydroxyalkanoates (PHAs) family (Galindo et al., 2007). Alginates are linear polysaccharides composed of variable amounts of (1–4)-┚-D-mannuronic acid and its epimer, ┙-L-guluronic acid. Alginates present a wide range of applications, acting as stabilizing, thickening, gel or film-forming agents, in various industrial fields. Currently, new applications are being discovered for these polymers, such as their use as a source of soluble fiber, or in medical products. One example is found in the use of alginate gel beads as entrapment devices for transplantation of e. g. insulin producing cells and tissue engineering (Hernandez et al., 2010). The intracellular polyester PHB and other PHAs have been drawing attention because they are biodegradable and biocompatible thermoplastics, which can be processed to create a wide variety of consumer products, including plastics, films, and fibers (Aldor & Keasling, 2003). Recently, and based on their properties of biocompatibility and biodegradability, new attractive applications for PHAs have been proposed in the medical field, where the chemical composition and product purity are critical (Williams & Martin, 2005). The subjects covered in this chapter include research concerning the production of alginate and PHB by A. vinelandii, particularly the molecular regulation of the production of these polymers, the influence of fermentation parameters on the production and composition of alginate and PHB, some reports about the scaling-up of the process and downstream processing, and finally, novel fermentation strategies that could be applied for the production of alginate and PHAs by A. vinelandii.
DETERMINATION OF ORGANIC ACIDS IN COMPOUND FEED BY ION CHROMATOGRAPHY METHOD

The paper presents the analytical procedure of organic acids quantification in compound feed by ion chromatography method. Organic acids: acetic, propionic, formic, malic, fumaric, and citric were extracted from a feed sample with water for 30 min. The measurement was done by conductometric detection. The limit of quantification of the assayed acids in the feeds was as follows: acetic 0.50 g/kg, propionic 0.63 g/kg, formic 0.45 g/kg, malic 0.45 g/kg, fumaric 0.50 g/kg, and citric 0.45 g/kg. The coefficient of variation ranged from 0.40% to 1.68% and its mean value was 0.82%. Mean Horrat ratio amounted to 0.35, thus confirming very good precision of the method. The recovery rate of the acids added to the compound feed ranged from 97.2% to 102.5%, with the average of 99.4%.
Influence of Load Balancing on Quality of Real Time Data Transmission

The routing algorithm with load balancing presented in [1] represents the modification of OSPF protocol, which enables the optimization to achieve higher network throughput. In the case of routing with load balancing, packets belonging to the same stream use different paths in the network. This paper analyzes the influence of the difference in packet propagation times on the quality of real-time data transmission. The proposed algorithm was implemented and the simulation network was formed to measure the jitter.
Risk management in the venture capital industry: Managing risk in portfolio companies

Managing risk is one of the main activities of venture capital companies. Despite the fact that this topic is of high practical relevance, only little research was published on risk management performed by venture capital companies in their ventures. Hence, we conducted a structured literature review which was the basis for developing five hypotheses concerning measures to decrease failure risk in venture capital-backed ventures. We tested these hypotheses with an empirical data set of 93 venture capitalbacked ventures in Germany using original deal data from nine different venture capital funds using a structural equation model. We showed that the experience and the skills of the corresponding investment manager have a significant negative impact on the failure risk of a venture. Investment manager ́s experience and skills were measured by the working and founding experience, the technology expertise and the network size. Hence, the results emphasize the importance of the selection of the investment manager for risk management in venture capital investments.
The effect of regime switching policy rules on economic growth

This paper empirically examines the relative effect of active and passive regime policy rules on economic growth. The time series data for a set of South-East Asian countries namely, Malaysia, Thailand and Singapore are used for the period 1971-2009. The Markov-switching (MSC) regression method is employed to characterize the regime switching for both monetary and fiscal policy reaction functions for each country. Then, the relative impact of these regime policies on long run output grow this estimated by using Auto Regressive Distributed Lag (ARDL) method. In order to control for different regime of policy rules, the dummy variables are included to capture the regime switching changes. The MSC regression shows that Thailand’s monetary policy is mostly active while fiscal policy is mostly passive throughout the sample covered. When both policies are considered, we note that Thailand changes its policy regimes very frequently. In contrast, Singapore’s regime switching is quite more stable. Singapore was in active monetary and passive fiscal for 20 years from 1971 to 1991. The country was in the passive monetary and passive fiscal regimes for 8 years before switching to passive monetary and active fiscal in year 2000 until 2009. Nevertheless, Malaysia’s monetary policy regimes are characterized as passive at all times while fiscal regime is active throughout the sample study. Furthermore, the ARDL cointegration shows that both monetary and fiscal policies are important in sustaining long run economic growth for Thailand. Meanwhile, Singapore’s economy is only positively determined by monetary policy while fiscal policy is insignificant. As for regime switching, our results indicate that only the monetary policy regime affects the economic growth in Thailand. This implies that an active monetary authority will only lead to a lower output growth. However, none of the regime variables is significant for Singapore which indicates that neither active nor passive regime really matters for economic growth.
Docker Container Reactive Scalability and Prediction of CPU Utilization Based on Proactive Modelling

The resource utilization of cloud-based applications has been used for capacity planning and forecasting resource demand. Cloud scalability provides significant scaling techniques to identify real-time demand as well the future demand to reduce resource wastage and network bandwidth. The project focuses to tackle the Docker container reactive scalability and prediction of CPU utilization using pro-active modelling. The docker container reactive scaling is structured based on threshold policies on cloud and candidate performed scaling in and scaling out of docker container web services built on CPU utilization threshold. The CPU metrics is perceived on cadvisor dashboard where HAproxy is utilized to distribute load to container web services based on round-robin algorithm. In addition, proactive scaling is performed using ARIMA time series analysis model. The public cloud Amazon Web Services is used to perform container reactive scaling and containerized open source jupyter notebook application is utilized to perform prediction. Based on CPU utilization data observed on amazon cloud, the proactive ARIMA model is trained. The parameter combination values are evaluated using Akaike Information Criterion value to get best results for forecasting CPU utilization. The paper explores the evaluation results of container reactive scaling and ARIMA prediction CPU utilization. In addition, the state of the art results are also demonstrated.
ONLINE CHANNEL USAGE INTENT BY INSURANCE AGENTS IN AN EMERGING MARKET CONTEXT

Insurance is a complex product and is normally sold through intermediaries like individual insurance agents, corporate insurance agents, or an insurance broker. The new trend in insurance marketing is to sell the insurance policies through the Internet. Though the Internet is changing the way customers engage with insurers, traditional channels remain important. The agent intermediaries continue to play a crucial role in the sales cycle in India. The present study looks at the online channel adoption intent of the insurance agents for their work related activities through the development of e-consumption model. Our e-consumption model has taken variables from the existing literature like System Quality, Information Quality Perceived Usefulness, Perceived Ease of Use to understand the agents’ technological self-efficacy and has introduced motivating and coercing role of the insurer viz., Management Intervention in terms of training for technology and information access mandated by the company through the Agents’ Portal. It is found that the motivating role of the insurer is i.e., training for technology is more effective in influencing behavioural intention than the coercive role namely info access mandated by the insurer. It is also found that System quality and information quality of insurance company websites play a crucial role in determining the PEOU and PU via Perceived Benefits.
Anti-Growth Activity of Tanshinone IIA towards Gefitinib. -Sensitive and -Resistant NonSmall Cell Lung Cancer Cells

Lung cancer is the most common fatal malignancy among all cancers worldwide, and non-small cell lung cancer (NSCLC) accounts for 85% of all lung cancers. Existing therapies for NSCLC include tyrosine kinase inhibitors (TKIs) such as gefitinib and erlotinib, which target the epidermal growth factor receptor (EGFR) tyrosine kinase. In this report, we studied the anti-proliferative activity of tanshinone IIA (Tan IIA) from Radix Salvia miltiorrhiza against gefitinib-sensitive and -resistant NSCLC cells. Tan IIA effectively inhibited the growth of both gefitinib-sensitive NSCLC cells harboring the EGFR mutation of exon 19 (PC-9) and gefitinib-resistant NSCLC cells (H1650, H358, AY-01, and A549). We also identified another type of NSCLC cells (PC-14), which were resistant to both TKI and Tan IIA. H1650 and AY-01 harbor an EGFR mutation of exon 19, but are resistant to gefitinib. H358 and A549 harbor a KRAS mutation but no EGFR mutation. Therefore, Tan IIA is a candidate compound for the development of anti-cancer drugs targeting a variety of gefitinib-sensitive and -resistant NSCLC.
Diversity-Multiplexing-Nulling Trade-Off Analysis of Multiuser MIMO System for Intercell Interference Coordination

A fundamental performance trade-off of multicell multiuser multiple-input multiple-output (MU-MIMO) systems is explored for achieving intercell and intracell interference-free conditions. In particular, we analyze the three-dimensional diversity-multiplexing-nulling trade-off (DMNT) among the diversity order (i.e., the slope of the error performance curve), multiplexing order (i.e., the number of users that are simultaneously served by MU-MIMO), and nulling order (i.e., the number of users with zero interference in a victim cell). This trade-off quantifies the performance of MU-MIMO in terms of its diversity and multiplexing order, while nulling the intercell interference toward the victim cell in the neighbor. First, we design a precoding matrix to mitigate both intercell and intracell interference for a linear precoding-based MU-MIMO system. Then, the trade-off relationship is obtained by analyzing the distribution of the signal-to-noise ratio (SNR) at the user terminals. Furthermore, we demonstrate how DMNT can be applied to estimate the long-term throughput for each mobile station, which allows for determining the optimal number of multiplexing order and throughput loss due to the interference nulling.
ZAIDA CEBRIAN JIMENEZ SIMULATIONS OF THE ELECTRICAL ACTIVITY OF CARDIOMYOCYTES DERIVED FROM HUMAN EMBRIONIC STEM CELLS

TAMPERE UNIVERSITY OF TECHNOLOGY Master’s Degree Programme in Biomedical Engineering CEBRIAN JIMENEZ, ZAIDA: Simulations of the electrical activity of cardiomyocytes derived from human embryonic stem cells Master of Science Thesis, 64 pages, 11 Appendix pages January 2012 Major: Medical Instrumentation Examiner: Professor Jari Hyttinen, PhD Juho Väisänen
An Item Response Theory Analysis of Safety Knowledge in Colorado Farm Residents

Objective: This study was designed to identify safety knowledge questions that differentiated those with high and low vulnerability to injury and assess differences in safety questions by sex and age. Methods: Colorado farm operators and their spouses were recruited in 1993 from farm truck registrations (n = 872) and between 1993 and 1997 from property value assessment lists or rural directories (n = 761). Item Response Theory was used to assess ten safety questions. Results: Knowing fatigue causes injury best discriminated between high and low injury vulnerability; incorrectly answering the question about inattention causing injury was associated with highest vulnerability to injury. No measurement invariance was identified by sex, but those older than 65 years answered differently than those younger than 45 years (P = 0.005). Conclusion: Safety programs emphasizing the role of fatigue and inattention on injury risk might reduce injuries in the farming community.
Simultaneous Determination of Curcumin and Berberine in their Pure Form and from the Combined Extracts of Curcuma Longa and Berberis Aristata

A simple, rapid, accurate, precise, reliable and economical first derivative spectro- photometric method has been proposed for the simultaneous determination of curcumin (CUR) and berberine (BER) in pure form and in combined methanolic extracts of Curcuma longa and Berberis aristata without any prior separation or purification step. The developed methods show best results in terms of linearity, accuracy, precision, limit of detection (LOD) and limit of quan- tification (LOQ) for standard laboratory mixtures of pure compounds and methanolic extracts of the drugs. The linearity range for curcumin (CUR) and berberine (BER) were found to be 2 to 8 µg mL -1 and 6 to 12 µg mL -1 respectively. The values of LOD were 0.039 µg mL -1 and 0.025 µg mL -1 and the values of LOQ were found to be 0.13 µg mL -1 and 0.08345 µg mL -1 for curcumin (CUR) and berberine (BER) respectively. By this method, C. longa and B. aristata showed 4% w/w curcumin and 2.8% w/w berberine respectively in combined methanolic extracts of the two herbal drugs. The method was validated as per ICH guidelines.
NITROGEN ISOTOPES IN KUKERSITE AND BLACK SHALE IMPLYING ORDOVICIAN-SILURIAN SEAWATER REDOX CONDITIONS

For the first time data on nitrogen isotopes from the Ordovician- Silurian sedimentary rocks of the Baltic Basin are reported. Supplementary samples come from several regions worldwide. The data reveal the existence of different primary bioproductivity pathways in the Ordovician-Silurian. During the formation of black shale surface waters were oxygen-poor and maintained N2-fixing primary production indicated by δ 15 N -0.3‰ on average. The average δ 15 N of kukersite oil shale is +7.4‰. The positive δ 15 N values are in accordance with the formation of kukersite in oxic waters, showing that Gloeocapsomorpha prisca was a nitrate-using not N2-fixing cyanobacterium- like organism. The black shale samples from the deep shelf suggest that seawater, including the photic zone, often suffered from deficiency of oxygen.
Regeneration dynamics in the laurel forest: changes in species richness and composition

Abstract: The recovery and survival of the Macaronesian laurel forest depends on its regeneration strategies. After years of long-term monitoring, both sexual and asexual regeneration appear to be equally important. However, the mechanisms for each are just beginning to be understood. In order to contribute to the understanding of the laurel forest sexual regeneration, we analyzed the species composition of the seedling bank every two weeks over three years in the laurel forest of Anaga (Tenerife, Canary Islands). We compared the species compositions of the seedling bank with the canopy, and analyzed changes in their diversity over this period in different forest stands. We found that species diversity (evenness) is different among plots regardless of the stand. In some cases, plot diversity remained constant over time, while others showed some variations, which were little related to climatic conditions (temperature and precipitation). We also found no relationship between the seedling bank and canopy composition, with shade-intolerant species being more abundant in the former. Although climatic conditions remained constant during the period and other environmental conditions did not vary either, some changes were found in the seedling bank species composition. These were related to the increased degree of conservation of the laurel forest of Anaga (by closing unpaved roads, limiting access, and the abandonment of agriculture) that had negatively affected the density of shade-intolerant species. We suggest that such conservation measures should be maintained and extended to other areas where agriculture has been recently abandoned to allow the potential establishment of laurel forest and late successional species.