Miracle-dz/UniFAR-FTUs huggingface dataset:
Hybrid density functional study of organic magnetic crystals: bi-metallic CrIII cyanides and rhombohedral C60

Periodic hybrid-exchange density functional theory calculations have been used to investigate the magnetic properties of two classes of organic magnets, namely the bi-metallic CrIII cyanides and the polymerized rhombohedral C60 fullerenes (Rh-C60). For the systems KMII[CrIII(CN)6] with M II=V, Mn, Ni and CrIII[CrIII(CN)6], the magnetic ordering energies, Mulliken populations, and spin density plots are reported for the optimized geometries. The qualitative nature of the magnetic coupling mechanism is consistent with that observed in previous unrestricted Hartree–Fock calculations, but the coupling energies computed here are significantly higher. The increased coupling is found to be a result of both changes in the geometry and the electronic structure resulting from the more reliable treatment of electronic exchange and correlation effects. The existence of long-range coupling between local spin moments is investigated in three different defective Rh-C60 structures: (i) a previously proposed prototype structure, where an atom is removed from the C60 cage; (ii) a related structure in which vacancies in nearby cages are brought closer together in pairs; and (iii) a structure where the intra-fullerene bond between the two inter-fullerene bonds is broken spontaneously after applying isotropic pressure to one layer of the Rh-C60 structure. All of these structures are characterized by low flat spin polarized bands at the Fermi edge and localized spin moments around the defects, but no evidence of long-range magnetic coupling is found.
Improved Independent and Uniform Multivariable Gain and Phase Margins in $\mathcal {H}_{\infty }$/LTR Control

In this article, we presented guaranteed independent and uniform multivariable stability margins for the <inline-formula><tex-math notation="LaTeX">$\mathcal {H}_{\infty }$</tex-math></inline-formula>/LTR control, both in continuous and discrete time. In previous works, it was shown that the <inline-formula><tex-math notation="LaTeX">$\mathcal {H}_{\infty }$</tex-math></inline-formula>/LTR control generalizes the linear quadratic Gaussian (LQG)/LTR setup, allowing the designer to better impose bounds on the complementary sensitivity frequency peak in the loop-shaping procedure. In this article, we extend this result by showing that <inline-formula><tex-math notation="LaTeX">$\mathcal {H}_{\infty }$</tex-math></inline-formula>/LTR control is able to recover better robustness properties than those recovered in the LQG/LTR case. Numerical examples are presented for multivariable and monovariable cases.
Aided language modelling, responsive communication and eye-gaze technology as communication intervention for adults with Rett syndrome: three experimental single case studies

Abstract Purpose To examine the effect of a communication intervention package on expressive communication and visual attention in individuals with Rett syndrome. Materials and methods A modified withdrawal (A-B1-A1-B2-A2) single case experimental design with a direct inter-subject replication across three participants was applied. Three women with Rett syndrome participated. The study took place over a six-week period and comprised 32 sessions with each participant. All sessions were video recorded. During the intervention the communication partner used aided language modelling on a gaze-controlled device in combination with using responsive partner strategies. Expressive communication was assessed as synthesised words per minute and unique synthesised words per minute. Visual attention was assessed as rate of focused gazes (1 s or longer) in interaction. Results An intervention effect was found on the rate of unique words for all participants. The rate of words increased for two participants when the intervention was introduced but no withdrawal effect could be seen. An intervention effect on visual attention could be seen for one participant. The intervention appeared to have social validity as reported by caregivers. Conclusion Aided language modelling (ALM), while using responsive partner strategies and a gaze-controlled device may be used with adult individuals with Rett syndrome to increase their rate of expressive communication. Detailed observational measures revealed individual learning patterns, which may provide clinically valuable insights. Implications for Rehabilitation Adults with Rett syndrome may benefit from access to gaze-controlled devices in combination with responsive partner strategies. Responsive partner communication may be effective for some individuals with Rett syndrome to increase their rate of synthesised utterances. Rate of focused gazes may be considered as an outcome measure for individuals with oculomotor difficulties when introducing aided language modelling.
Silver Nanoparticles Biosynthesized from Vaccinium myrtillus L. against Multiple Antibiotic Resistance and Biofilm Forming Escherichia coli and Pseudomonas aeruginosa

Background: Despite new innovations and process improvements, biofilm forming bacterial infections still pose a serious threat to patients. Silver nanoparticles (AgNPs) have been shown to have antibacterial properties and have been applied for surface manufacturing of many permanent medical devices at the same time. Therefore, we attempted to compare the performance of green synthesis of AgNPs and Vaccinium myrtillus L. plant extracts in terms of antibacterial and antibiofilm potential against multi drug resistant (MDR) biofilm forming Pseudomonas aeruginosa and Escherichia coli clinical strains. Materials and Methods: The biosynthesized AgNPs were characterized by UV-Visible spectroscopy. The antibacterial activity of the nanoparticles was determined by using disc diffusion and broth micro dilution method. Antibiofilm properties of nanoparticles have also been investigated by using scanning electron microscopy (SEM) and tissue culture plate (TCP) method. Results: Both extract and AgNP showed comparable bactericidal (p<0,0001) and antibiofilm activity (p<0,0001), but the mode of bacterial interaction and the degree of damage were completely different. Conclusion: For the first time with this study, extracts and also nanoparticles obtained from V. myrtillus were found to be effective in strains that have high biofilm activity and multiple drug resistance. Biosynthesized AgNPs were found to reduce planktonic cells as well as biofilm growth in a dose dependent manner. The results also supported the antibiofilm potential of AgNPs. This finding thus provides an idea of the development of silver nanoparticle-based biomaterials for use as effective surface modifying agents.
COVID-19 mimics endemic tropical diseases at an early stage: a report of two symptomatic COVID-19 patients treated in a polymerase chain reaction void zone in Cameroon

At the end of December 2019, they emerged a new coronavirus (SARS-CoV-2), triggering a pandemic of an acute respiratory syndrome (COVID-19) in humans. We report the relevant features of the first two confirmed cases of COVID-19 recorded from the 29th April 2020 in the Far North Region of Cameroon. We did a review of the files of these two patients who were admitted to the internal medicine ward of a medical Centre in Maroua Town, Far North Region. We present 2 cases of symptomatic COVID-19 patients, both males and health personnel, with an average age of 53 years, with no recent history of travel to a COVID-19 zone at risk and working in a then COVID-19 free region. They presented with extreme fatigue as their main symptom. Both were treated initially for severe malaria with quinine sulfate infusion with initial relief of symptoms. In the first confirmed case, at his re-hospitalization with an acute respiratory syndrome, a polymerase chain reaction (PCR) test in search of SARS-CoV-2 was requested with his results available 7 days into admission. For the second case, he had his results 48 hours on admission while he was prepared to be discharged. Both control PCR tests for COVID-19 came back negative 14 days after hospitalization. Health personnel remains a group at risk for the COVID-19 infection. The clinical manifestation at an early stage may be atypical mimicking endemic tropical infections. Also, the therapeutic potential of quinine salts in the relief of symptoms of COVID-19 is questionable and remains a subject to explore in our context.
Morphology and surface-plasmon resonance of silver nanoparticles sandwiched between Si3N4 and BN layers

Nanocermet trilayered thin films consisting of silver nanoclusters sandwiched between two dielectric layers (the buffer and the cap) have been synthesized by ion-beam sputtering with an alternate deposition of the metal and the dielectric species. The influence of the amount of silver, the nature of the buffer and the cap (BN or Si3N4), and a time delay before the cap deposition on clusters morphology and repartition have been investigated by transmission electron microscopy. It has been observed that the clusters display truncated ellipsoidal shapes in which the height to diameter ratio H∕D decreases as the amount of deposited silver increases. For a given amount of silver, this ratio is lower in the case of a Si3N4 cap, whatever the nature of the buffer. Two explanations are proposed to account for this “cap effect” on clusters morphology: the first one is based on a calculation of the H∕D minimizing the surface free energy of the clusters embedded between the buffer and the cap; the second one holds on.
Author Productivity of COVID-19 Research Output Globally: Testing Lotka's Law

COVID-19 is a novel virus with lethal effects on human health, causing respiratory failure and infiltration in the lungs The present study attempted to examine global publication trends in research associated with COVID-19 and sought the fitness of Lotka's Law, data downloaded from the WHO database (https://www who int/) The search term "2019nCoV, COVID -19" was used to retrieve articles published from December 2019 to March 19, 2020 Two thousand two hundred eighteen authors have contributed a total of 2250 articles Four clusters formed on "author title/abstract," the terms hospital, CoV, coronavirus, pneumonia found associated with 20674 terms, out of which 797 met the threshold Co-authorship pattern of COVID-19 research generated 6 clusters with 65 authors, "Nishiura, Hiroshi" surpassed the list of co-authors followed by He, Daihai, Zhao, Shi and Zhang, Wei The Lotka's Law on Authors' Productivity on COVID-19 Literature confirmed the applicability of the Law to the present data collection The goodness of fitKolmogorov-Smirnov (KS) measured in the COVID-19 research to quantify the pragmatism of the Lotka's rule between the observed collection of data counter to the inverse square rule relation and the possible value of n=2 © 2020, Library Philosophy and Practice All Rights Reserved
Psychiatrische Kliniken als totale Institutionen in digitalen Spielen

: Time and time again derelict psychiatric institutions and rogue inmates serve as settings and antagonists in cultural narratives, and digital games are no exception. The eeriness of exploring what Erving Goffman calls ›total institutions‹ and the tension of being confronted with the mentally ill orchestrate a persistent conflict between madness and reason. How this conflict is constructed on a narrative, aesthetic, and ludic level is the central focus of this article. The perspective applied leans heavily on discourse analysis to give a brief overview of contemporary ideas on mental illness and psychiatric institutions. Theoretically founded in Erving Goffman’s concept of total in -stitutions, Outlast (Red Barrels, 2013) and The Town of Light (LKA, 2016) are comparative ly interpreted, concluding in the assumption that the perspective of both titles, while differing considerably, construct mirroring glances on psychiatric institutions and the madness within
Can Saving and Bank Claims on the Private Sector Enhance Saudi Economic Growth

Purpose: Developing countries give more importance to financial sector development with a goal of poverty reduction. Saudi Arabia gives more importance to financial sector development with a goal of poverty reduction. The study aims to determine impact of saving and bank claims on the private sector on economic growth to utilize it for raising the economic growth rate in the future. It provides new evidence on the impact of saving and bank claims on the private sector. Methodology: The study has examined the economic growth of the private sector in Saudi Arabia for bridging the gaps found in theoretical and empirical aspects. The Ordinary Least Squares (OLS) approach and Co integration techniques during the period (1973-2017) were used. Findings: The results indicated that there exists a positive and significant relationship among the real GDP, all the real domestic saving and the real bank claims on the private sector in both the short and long run. It concludes that if Saudi Arabia desires for economic growth so there should be an increase in the real domestic saving and real bank claims. Originality: Financial systems need to be properly developed and functioned. Accordingly, the policymakers can formulate monetary policy to get the desired results.
Fragmentation mechanisms of aqueous clusters charged with ions

Fragmentation processes of mesoscopic aqueous clusters charged with ions of similar sign are studied by computer simulations. In order to examine differences in the fragmentation that depend on the nature of the ions and the charge distribution, the clusters contain positive (Na+ and Ca2+) or negative (Cl−) ions. Insight into the fragmentation mechanism is obtained by theories of activated processes. Critical to this approach is the use of a new reaction coordinate that captures the shape fluctuations of the droplet that are responsible for the reaction. Reversible work profiles for the reaction are constructed along the reaction coordinate, and dynamics is performed. The dynamics validates the use of the reaction coordinate, and shows diffusive barrier crossing. It is found that clusters with even number of charges fragment unevenly in contrast to analytical theories that predict even fission by considering only the energetic factors that determine the stability of charged droplets.
Direct carrier multiplication due to inverse Auger scattering in CdSe quantum dots

Many optoelectronic devices could achieve much higher efficiencies if the excess energy of electrons excited well above the conduction band minimum could be used to promote other valence electrons across the gap rather than being lost to phonons. It would then be possible to obtain two electron–hole pairs from one. In bulk materials, this process is inherently inefficient due to the constraint of simultaneous energy and momentum conservation. We calculated the rate of these processes, and of selected competing ones, in CdSe colloidal dots, using our semi-empirical nonlocal pseudopotential approach. We find much higher carrier multiplication rates than in conventional bulk materials for electron excess energies just above the energy gap Eg. We also find that in a neutral dot, the only effective competing mechanism is Auger cooling, whose decay rates can be comparable to those calculated for the carrier multiplication process.
TLC Assay of Thymoquinone in Black Seed Oil (Nigella Sativa Linn) and Identification of Dithymoquinone and Thymol

Abstract A simple quantitative TLC method for the determination of thymoquinone in commercially available black seed oil obtained from Nigella Sativa L. (Ranunculaceae) using a scanning densitometer is described. Also the identification of thymol, dithymoquinone in this sample was established. The Rf values for thymoquinone, thymol and dithymoquinone are 0.77, 0.37 and 0.52 respectively. The identification of the thymoquinone spot, obtained from the methanol extract of oil is confirmed by GC/MS which is essentially identical to thymoquinone standard. The solvent system consisted of benzene: isopropyl ether (1:1). All the spots were visualised and quantitated at 254 nm. The method proposed is simple, reproducible with a lower limit of detection of 100 nmoles/ml and can be used in routine analysis of thymoquinone in black seed oil for quality control purposes.
Path Loss Estimation for Some Korek-Telecom Sites Operating at (1.8) GHz and (2.1) GHz for Urban and Suburban Area in Erbil City

A R T I C L E I N F O A B S T R A C T Article history: Received: 01 August, 2020 Accepted: 29 September, 2020 Online: 12 October, 2020 This investigation deals with the identification of the suitable empirical models for predicting radio wave propagation path losses in Erbil city of Kurdistan region in Iraq. For this purpose, two sites of Korek Telecom operating at 1800 MHz and 2100 MHz have been selected at urban and sub-urban environments in the city and seven different empirical path loss model named free space model, ECC-33, Stanford Interim University (SUI), Optimized Cost-231, Okumura-Hata, Egli, and Ericson models are tested against experimentally measured path loss values. The path loss was measured experimentally using Sony Ericson handset with complete required equipment and the results are compared to that predicted by each of the mentioned empirical models. The results which have been analyzed through the identification of Root Mean Square Error value achieved by each model revealed that the Optimized Cost-231 and Ericson model provide lowest Root Mean Square Error values. They provide RMSE values of 9.21, 9.38 and 1.58 and 4.12 at operating frequency of 1800 MHz, while at frequency 2100 MHz they gave 7.28, 6.07, 11.86 and 7.54, for sub-urban and urban areas, respectively. Therefore, it was concluded that the Optimized Cost-231 followed by Ericson model would be more reliable and best candidate for use in planning and designing network communication in the urban and suburban areas in the investigated area.
Surgical management of inguinal hernia in Pomeranian bitch: A case report

A six year old Pomeranian intact female dog was presented in Veterinary Clinic Complex, PGIVER, Jaipur, with a history of non–painful, non–reducible pendulous unilateral swelling (left side) on the caudal inguinal region. Barium contrast radiography of abdomen revealed protrusion of intestinal loops into the inguinal swelling confirming inguinal hernia. Herniorrhaphy of the inguinal hernia was performed under xylazine, propofol and isoflurane anaesthesia. The hernial ring was sutured using overlapping mattress suture pattern using PGA no. 2/0. Intravenous Ringer’s Lactate solution @ 10 ml/kg body weight, Meloxicam @ 0.2 mg/kg body weight and Ceftriaxone @ 50 mg/kg body weight were administrated preoperatively. Postoperatively the dog was treated with intramuscular injection of Ceftriaxone @ 25 mg/kg body weight twice a day for 5 days and Meloxicam @ 0.1 mg/kg body weight once a day for 3 days. Syrup multivitamin Multistar pet was given @ 3ml BID PO for 10 days. Sutures were removed on 12th postoperative day and the animal had an uneventful recovery.
A parallel molecular dynamics strategy

This article presents a strategy to perform molecular dynamics simulations using parallel processing techniques on a parallel‐distributed loosely coupled system consisting of IBM host computers (4341 and 4381) with attached scientific processors (FPS‐164). This substantially enhances our ability to perform fast and more realistic large scale many‐body trajectory simulations. A powerful extention of the computational range of molecular dynamics the parallel approach offers the opportunity to substantially reduce the simulation time to allow a longer simulation period to study more realistic models and larger systems. It is flexible and uses, for the most part, standard products and straightforward implementation with a broad range of applicability. The implementation of a simulation of water molecules with the inclusion of two‐ and three‐body interactions is discussed. Some considerations in the design and implementation of parallel programs on a loosely coupled system are also presented.
Carbon mineralization, nitrogen immobilization and pH change in soil after adding volatile fatty acids

Summary Volatile fatty acids (VFAs) accumulate in animal manure when it is stored anaerobically, and they quickly decompose when the manure is applied to soil. In this study the influence of VFAs on the immobilization of N and mineralization of C in soil was investigated by incubating mixtures of acetate, propionate and butyrate in soils containing varying amounts of clay. The oxidation of VFAs (300 μg C g−1 soil) caused a significant increase in pH (0.6–2.2 pH units), with the largest increase in the most coarse-textured soil. The maximum net immobilization of N resulting from decomposition of the VFAs was 33–77 mg N g−1C and was maximal after 1–5 weeks of decomposition. After this time immobilized N was remineralized, and after 12 weeks the VFAs caused no net immobilization of N in the two most sandy soils. Despite this, the concentration of N in the microbial biomass was still greater in the soil amended with VFAs than in the control. After 12 weeks, the mineralization of C from the decomposition of the VFAs was equivalent to 60–113% of the applied C. It seems that mineralization of native soil C and N was stimulated by adding VFAs, except in the most clayey soil. This stimulation was presumably caused by the increase in the soil's pH as the VFAs oxidized.
Modeling of crystal nucleation and growth in athermal polymers: self-assembly of layered nano-morphologies

We describe the salient characteristics and analyze the entropic origins of the spontaneous crystal nucleation and growth as observed in extensive Monte Carlo simulations of dense packings of athermal polymers of freely-jointed chains of tangent hard spheres of uniform size (N. Karayiannis, K. Foteinopoulou and M. Laso, Phys. Rev. Lett., 2009 (103), 045703). Self-assembly of well-defined nano-patterns, in the form of randomly alternating layers of hexagonal close packing (hcp) or face centered cubic (fcc) character with a single stacking direction, is realized spontaneously at volume fractions (packing densities) of 0.58 and above independently of the average chain length and the shape of the applied molecular weight distribution. Finally, the entropic origins of the crystallization are revealed: throughout the ordering transition, while the free volume around each monomer site remains unaltered in size, its shape becomes more spherical and more symmetric. In turn, spheres along the chains are able to explore more efficiently their accessible volume in the ordered (crystalline) state increasing the translational entropy of the system.