Miracle-dz/UniFAR-FTUs huggingface dataset:
Pattern Formation in Active Nematics

This thesis presents analytical and numerical studies of the nonequilibrium dynamics of active nematic liquid crystals. Active nematics are a new class of liquid crystals consisting of elongated rod-like units that convert energy into motion and spontaneously organize in large-scale structures with orientational order and self-sustained flows. Examples include suspensions of cytoskeletal filaments and associated motor proteins, monolayers of epithelial cells plated on a substrate, and bacteria swimming in a nematic liquid crystal. In these systems activity drives the continuous generation and annihilation of topological defects and streaming flows, resulting in spatio-temporal chaotic dynamics akin to fluid turbulence, but that occurs in a regime of flow of vanishing Reynolds number, where inertia is negligible. Quantifying the origin of this nonequilibrium dynamics has implications for understanding phenomena ranging from bacterial swarming to cytoplasmic flows in living cells. After a brief review (Chapter 2) of the properties of equilibrium or passive nematic liquid crystals, in Chapter 3 we discuss how the hydrodynamic equations of nematic liquid crystals can be modified to account for the effect of activity. We then use these equations of active nemato-hydrodynamics to characterize analytically the nonequilibrium steady states of the system and their stability. We supplement the analytical work with numerical solution of the full nonlinear equations for the active suspension and construct a phase diagram that identifies the various emergent patterns as a function of activity and nematic stiffness. In Chapter 4 we compare results obtained with two distinct hydrodynamic models that have been employed in previous studies. In both models we find that the chaotic spatio-temporal dynamics in the regime of fully developed active turbulence is controlled by a single active scale determined by the balance of active and elastic stresses. This work provides a unified understanding of apparent discrepancies in the previous literature and demonstrate that the essential physics is robust to the choice of model. Finally, in Chapter 5 we examine the dynamics of a compressible active nematic on a substrate. When frictional damping dominates over viscous dissipation, we eliminate flow in favor of active stresses to obtain a minimal model with renormalized elastic constants driven negative by activity. We show that spatially inhomogeneous patterns are selected via a mechanism analogous to that responsible for modulated phases at an equilibrium Lifshitz point. Pattern Formation in Active Nematics
From Tissue Perfusion to Oxygenation: Characterizing Glioma Heterogeneity with Dynamic Susceptibility Contrast Enhanced Magnetic Resonance Imaging

Altered microvasculature and a worse oxygen supply are considered major causes of treatment resistance of tumors. In order to measure the oxygen consumption of tissue and to characterize tumor heterogeneity more robust, an automatic tool to determine the cerebral blood volume from DSC perfusion data has been developed. In addition to reducing the dose of contrast agent, this tool allows for better comparability of different studies and optimized images of tissue oxygenation.
Prediction of Chemical Reactions Using Statistical Models of Chemical Knowledge

Is chemistry discoverable or can it only be invented? – this is the question of a computer scientist and a philosopher of science when looking at application of artificial intelligence methods for developing new chemical entities and new chemical transformations. This study confirms that, at least today, chemistry is, in part, discoverable from past history of chemical research – the accumulated chemical data contains hidden rules of chemistry, which can be exploited to discover new reaction pathways. This is shown using a stochastic block model approach, trained on chemical reaction data obtained from Reaxys®.
Environmental oxidative aging of iron oxide nanoparticles

The environmental aging of functional iron oxide nanomaterials, especially those used in biomedical applications, may have significant consequences for both their mechanism of action and their safety profile. However, to date, there has been no way to systematically measure this property, and the problem has been largely overlooked. We show here that a recently proposed “center of gravity” method for determining the composition of magnetite (Fe3O4) and maghemite (γ-Fe2O3) mixtures via 57Fe Mossbauer spectroscopy can be applied to the matter. We show that a long-established diffusion model can be used to characterize the oxidative aging process, yielding a parametric (and therefore predictive) description of the magnetite-to-maghemite oxidation processes occurring within the nanoparticles.The environmental aging of functional iron oxide nanomaterials, especially those used in biomedical applications, may have significant consequences for both their mechanism of action and their safety profile. However, to date, there has been no way to systematically measure this property, and the problem has been largely overlooked. We show here that a recently proposed “center of gravity” method for determining the composition of magnetite (Fe3O4) and maghemite (γ-Fe2O3) mixtures via 57Fe Mossbauer spectroscopy can be applied to the matter. We show that a long-established diffusion model can be used to characterize the oxidative aging process, yielding a parametric (and therefore predictive) description of the magnetite-to-maghemite oxidation processes occurring within the nanoparticles.
Nanoporous films from discotic liquid crystals

In the present chapter, we discuss recent advances in the field of nanoporous networks based on polymerizable liquid crystals. The field has matured in the last decade, yielding polymers having 1D, 2D, and 3D channels with pore sizes on the nanometer scale. Next to the current progress, some of the future challenges are presented, with the integration of nanoporous membranes in functional devices considered as the biggest challenge. †This chapter is based on published work: Lugger, J. A. M. ; Mulder, D.J.; Sijbesma, R. P.; Schenning, A.P.H.J., Nanoporous polymers based on liquid crystals. Materials 2018, 11, 104, DOI: 10.3390/ma11010104.
Rare modification in the ergosterol biosynthesis pathway leads to amphotericin B resistance in Candida auris clinical isolates

We determined amphotericin B (AmB) susceptibility and sequenced key genes of the ergosterol biosynthesis pathway implicated in AmB resistance (ERG2, ERG3, ERG6, ERG11) of 321 clinical isolates of Candida auris. In antifungal susceptibility testing, 19 (5.9%) isolates were categorized as AmB-resistant (MIC ≥2 mg/l). Only one AmB-resistant isolate presented a unique non-wild-type ERG6 genotype that was confirmed to confer amphotericin B resistance (MIC >32 mg/l) when introduced into a susceptible strain (MIC = 0.5 mg/l).
Agarwood Leaf Essential Oil Characterization and Effects on MCF-7 Breast Cancer Cells

Breast cancer continues to remain as the leading cause of cancer mortality among women worldwide. Agents for prevention and cure for breast cancer are contiuously being researched. In particular, agarwood essential oil from resin infiltrated heartwood has been reported to have substantial evidences of medicinal benefits. Nevertheless, there is very limited report on agarwood leaf essential oil (ALEO). Hence, this present study was conducted to evaluate the physicochemical properties, chemical constituents and anticancer activity of ALEO. ALEO was observed to be of pale-yellow colour with sweet smell. Other physicochemical properties include refractive index of 1.44, specific gravity of 0.886, saponification value of 131.88 mg KOH/g, acid value of 2.80 mg KOH/g and iodine value of 105.07 gI 2 /100g. The profiling of chemical constituents using gas chromatography-mass spectrometry (GCMS) revealed 19 compounds. Hexadecanoic acid was the major compound (64.41%). The biomarkers of agarwood; azulene (0.619%) and guaiol (0.2997%) were also detected. ALEO was tested for anticancer activity against MCF-7 cancer cells using WST-8 assay. ALEO showed the IC 50 value of 31% (v/v) against MCF-7 cells after 36 hours of treatment. In conclusion, this study provides information on ALEO physicochemical properties and chemical constituents that can be used as benchmark for quality assurance as well as proof that ALEO holds a potential as anticancer agent.
Optimal Selection of Conductors in Ghaleganj Radial Distribution Systems

Selection of the best type and most suitable size of conductors is essential for designing and optimizing the distribution network. In this paper, an effective method has been proposed for proper selection and incorporation of conductors in the feed part of a radial electricity distribution network considering the depreciation effect of conductors. Increasing the usability of the electric energy of the power grid for the subscribers has been considered per load increment regarding the development of the country. Optimal selection and reconstruction of conductors in the power distribution radio network have been performed through a smart method for minimizing the costs related to annual losses and investment for renovation of lines by imperialist competitive algorithm (ICA) to improve the productivity of the power distribution network. Backward/forward sweep load flow method has been used to solve the load flow problem in the power distribution networks. The mentioned optimization method has been tested on DAZ feeder in Ghaleganj town as test.
The Specialized Atrioventricular Ring Tissues Participate in the Circuit of Atrioventricular Nodal Reentrant Tachycardia

The exact location, let alone size, of the circuit of atrioventricular nodal reentrant tachycardia (AVNRT) is still among the mysteries of contemporary electrophysiology, despite advances in highdensity mapping, tissue histochemistry, and connexin genotyping. This is most intriguing since AVNRT represents the most common regular arrhythmia in the human, and probably the second most often ablated arrhythmia after atrial fibrillation.1,2 There has been evidence that the inferior extensions of the atrioventricular node are the substrates of the slow pathway, whereas the connections to the compact node through the working myocardium of the atrial septum serve as the fast pathway.3,4 We also know that the circuit occupies an area of several centimeters.5 The prominent variability of detected retrograde atrial activation, even in the same patient, suggests many possibilities, as described in a probabilistic model.4 Although this conceptual model explains the electrophysiologic behaviour and activation patterns of the arrhythmia, it cannot provide quantitative data about the size of the involved pathways. More importantly, the described inferior and superior atrial inputs represent “dead ends,” and not the entire circuit. Because of the problems in separating a large ventricular electrogram from the atrial tracing, highresolution mapping of the atrial vestibules is inherently difficult.6 Any mapping system will struggle to annotate a fused signal appropriately in the window and during tachycardia, although novel algorithms for this purpose do appear. It may also preferentially annotate the His bundle electrogram because of its high frequency (dv/dt). These limitations may also apply to animal models using microelectrode mapping, thus making the tracing of the tachycardia circuit extremely difficult.
A new curcumin analog, CCA-1.1, induces cell death and cell cycle arrest in WiDr colon cancer cells via ROS generation

Febri Wulandari1 , Muthi Ikawati1,2, Mitsunori Kirihata3, Jun-Ya Kato4, Edy Meiyanto1,2* 1Cancer Chemoprevention Research Center, Faculty of Pharmacy, Universitas Gadjah Mada, Yogyakarta, Indonesia. 2Macromolecular Engineering Laboratory, Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Universitas Gadjah Mada, Yogyakarta, Indonesia. 3Research Center for Boron Neutron Capture Therapy, Osaka Prefecture University, Sakai, Osaka, Japan. 4 Laboratory of Tumor Cell Biology, Division of Biological Science, Graduate School of Science and Technology, Nara Institute of Science and Technology, Nara, Japan.
Analysis of the high-energy electron population in surface-wave plasma columns in presence of collisionless resonant absorption

In surface-wave plasmas, the energy can be transferred to the plasma electrons through both ohmic (collisional) and collisionless heating mechanisms. At very low pressure, when the electron–neutral collision frequency is much lower than the wave frequency (collisionless regime), a resonance is excited close to the tube walls where the electron plasma frequency in the radially-inhomogeneous plasma column reaches the wave frequency. In such conditions, the sharp rise of the component of the surface-wave electric field perpendicular to the tube axis can induce transit-time heating. At the resonant point, the long-wavelength electromagnetic surface wave can also be converted into short-wavelength electrostatic Langmuir waves that propagate down the density gradient. In this work, spatially-resolved trace-rare-gases optical emission spectroscopy combined with collisional-radiative modeling is used to analyze the electron energy distribution function (EEDF) and wave–particle interactions in low-pressure argon plasma columns sustained by an electromagnetic surface wave at 600 MHz (over-dense plasma). The EEDF is found to depart from a Maxwellian with the presence of a high-energy tail. The relative population of high-energy electrons increases with the axial distance towards the end of the plasma column where the electron density decreases and the resonance point becomes closer to the discharge axis. Over the range of experimental conditions examined, the high-energy tail increases with the characteristic length of the plasma density gradient at the resonance point; a feature that can be linked to collisionless electron heating by Landau damping of Langmuir waves.
Does governance quality matter for FDI-led tourism development? A supply-side perspective

This study examines the relationship between governance, foreign direct investment (FDI), and tourism demand. Rather than treating governance as a direct determinant in a tourism demand model, the multifaceted nature of this concept is recognized and nested in the broader supply-side environment of a destination. Reducing five World Governance Index (WGI) dimensions into one holistic governance measure, which is then utilized as an instrument and operates through FDI, this study incorporates the indirect impact of governance on tourism demand in a two-stage least square (2SLS) regression model. The key findings demonstrate that governance is positively associated with FDI accumulation and that this effect is positively conducive to tourism demand. The results suggest a development strategy for building a competitive and sustainable tourism industry should be encompassed in a broader project of enhancing the political-economic environment of the destination.
Nanotribological Properties Of Epitaxial Graphene Grown On C-Terminated Face Of Silicon Carbide Semiconductor

The frictional properties of mono-layer and multilayer epitaxial graphene grown on the C terminated face of SiC has been investigated by using atomic force microscopy measurements. Epitaxially grown graphene samples were characterized by Raman spectroscopy measurements. Atomic force microscopy has been employed in ambient conditions for friction measurements using pre-calibrated cantilevers. Both Raman spectroscopy and atomic force microscopy analysis showed that the number of defects, which increases consistent with increasing number of graphene layers, plays an important role on the tribological properties of epitaxial graphene.
Manganese(I) tricarbonyl complexes: UV-dependent antioxidant activity, electrochemistry, and DFT/TDDFT calculation

Abstract As important catalysts, metal carbonyl complexes have received considerable attention in recent years owing to their ability to store and transport carbon monoxide that have been proven to function as antiinflammatory, antiapoptotic, and antiproliferative agents. In addition, imidazole/benzimidazole derivative molecules have been known to be bioactive owing to their antihypertensive, antiinflammatory, and antimicrobial properties. Combining these two bioactive species could be a good idea for possible synergistic effect. In this study, [Mn(CO)3(bpy)L]X (bpy =2,2-bipyridyl; X = PF6, SO3CF3, L = imidazole, N-methylimidazole, benzimidazole, N-benzylbenzimidazole, N-4-chlorobenzylbenzimidazole) complexes have been characterized electrochemically and related to CO-releasing properties. The molecules have been theoretically analyzed in terms of electronic transitions and spin-density plot in water, acetonitrile, and gas phase for having insight that promote CO-releasing and electroactivity characteristics. Antioxidant activity of the complexes has also been analyzed in order to gain a possible relationship with CO-releasing properties of the complexes. GRAPHICAL ABSTRACT
Optimization of food dye (betanin) retention during hot air drying: Design space calculation with consideration of reaction and substrate transfer kinetics

ABSTRACT Retention of food dye (betanin) during hot air drying of a model food system was optimized by developing mechanistic model that took into account the kinetics of degradation and the transfer of the substrate in the model food system. Betanin (red glycosidic food dye extracted from beets) degrades through hydrolysis, and this reaction is temperature dependent and involved with the amount of water in a system. Degradation kinetics of betanin/dextrin mixture was first measured under isothermal and isohumidity conditions in order to obtain kinetic constants for the degradation reaction. A packed bed filled with glass beads (mean diameter ca 200 µm) was wetted by a betanin/dextrin aqueous solution, and contacted with hot air at selected temperature and relative humidity. The resultant betanin retention in the drying systems was estimated by using the kinetic parameters of the degradation reaction. When estimation was made with consideration of dynamic change in temperature and moisture content during drying by assuming the uniformity of temperature and solute concentration in the system, calculation results seriously overestimated the resultant retention. It found experimentally that the dextrin and betanin transferred toward the drying interface and this made the concentrated film layer at the interface. And the kinetics of these mass transfers significantly affected the retention of betanin in the drying systems. The mass transfer rates of the dextrin and betanin were thus experimentally measured and applied to predict the retention values in the drying systems. The calculation results were in good accordance with the experimental values. A design space that relate the betanin retention to the drying temperature and air humidity conditions was calculated by a mechanistic model that took into account the kinetics of the degradation reaction and substrate transfer.
Performance and Applications of Semifluidized Bioreactors – A Review

Abstract This paper reviews the design features and performance characteristics of semifluidized bed bioreactors. Both biofilm reactors and immobilized enzyme bioreactors have been analysed. Also, both two phase (liquid – solid) and three phase (gas – liquid – solid) operations are considered. Apart from the hydrodynamic parameters (semifluidization velocity, bed expansion ratio, height of packed section formed, fractional fluid holdups in both fluidized and packed sections), all other operating/system parameters affecting reactor performance such as axial dispersion, intrinsic kinetics of bioconversion (mostly nonlinear), the effectiveness factor and Thiele – type modulus have also been surveyed. The specific advantages and attractive features of these bioreactors have been highlighted based on data from successful case studies such as bioplastic synthesis, biodiesel manufacture, Xanthan gum production and aerobic waste water treatment with and without LPO (Liquid Phase Oxygen) utilization.
Developing craft business in Russia: capitals and tactics of young cultural entrepreneurs

ABSTRACT This article contributes to the discussion on the third wave of craft revival and focuses on the experience of young craftspeople starting their own business. The craft economy creates new possibilities for youth to find meaning in work, develop their agency, and maintain an attractive lifestyle. However, the young entrepreneurs could experience high precariousness and volatility: low income, lack of social guarantees, and a high risk of closure. Drawing on 57 qualitative interviews with Russian craft entrepreneurs living and working in St. Petersburg, the authors argue that young craftspeople start their business as “weak” economic agents with minimal economic, cultural, and social capitals. Still, they could use different tactics to compensate for their weak position. The authors highlight three of the most beneficial ones: “activated search”, “organic partnership” and “DIY”.
Copper (50 MeV) and Oxygen (84 MeV) Ion Irradiation Probed Thermal, Structural and Optical Behavior of Polyethylene Terephthalate

Abstract Polyethylene terephthalate (PET) films of 50 μm thickness were exposed to swift-heavy 50 MeV copper and 84 MeV oxygen ions, with fluence varying from 1 × 1011 to 1 × 1013 ions cm−2. Differential scanning calorimetry (DSC), X-ray diffraction (XRD) and Fourier-transform infrared (FTIR) and UV-visible spectroscopic techniques were used to characterize the irradiated samples. The XRD and DSC analysis indicated the loss of crystallinity during/after the irradiation. The FTIR spectra revealed the formation of alkyne end groups, CC groups and structural deformation with increase of ion fluence. Considerable reduction in the value of the optical bandgap was inferred from the study of the UV-visible absorption curves.
In vitro Antioxidant Activities and GC-MS Analysis of Different Solvent Extracts of Acacia nilotica Leaves

In the present study different extracts of Acacia nilotica leaves were tested for total phenolic and flavonoid content, antioxidant activities. Extracts were also subjected to phytochemical analysis using GC-MS analytical techniques. Antioxidant potential was determined using DPPH free radical scavenging assay, hydrogen peroxide scavenging assay, metal chelating assay and β-carotene-linoleic acid assay. Methanol extract exhibited maximum antioxidant activity (94.3 %) followed by the ethyl acetate extract (90.7 %). Total phenolic content was highest in the methanol extract and total flavonoid content in ethyl acetate extract. Positive correlation was observed between the total phenolic content, total flavonoid content and antioxidant activities. Principle component analysis revealed correlation between different parameters. D-pinitol, catechol, N-2,4-dnp-L-arginine, squalene, R-limonene, 9-octadecen-12-ynoic acid, methyl ester, androst-5-en, 2(1-H)-quinolinone, heptacosane, 2-pentadecanone, 6,10,14-trimethyl, linoleic acid, γ-linoleic acid, palmitic acid, stearic acid were the main compounds present in different extracts of Acacia nilotica leaves and could serve as a possible source of natural antioxidants in food and pharmaceutical industry.