Miracle-dz/UniFAR-FTUs huggingface dataset:
Living Anionic Polymerization of 4-Vinyltriphenylamine for Synthesis of Novel Block Copolymers Containing Low-Polydisperse Poly(4-vinyltriphenylamine) and Regioregular Poly(3-hexylthiophene) Segments

We have developed a living anionic polymerization of 4-vinyltriphenylamine (VTPA) in tert-butylbenzene at 25 °C or tetrahydrofuran at −78 °C initiated with sec-butyllithium in the absence of any additives based on a high-vacuum (10−6 Torr) technique. Lithium naphthalenide could also initiate the polymerization of VTPA to generate difunctional living PVTPA. The molecular weights of poly(VTPA) (PVTPA) were proportionally increased up to around 30 K by increasing the feed ratio of VTPA to the initiator, while keeping very low polydispersities (PDIs) of less than 1.1. A new series of block copolymers, PVTPA-b-poly(methyl methacrylate) and polystyrene (PS)-b-PVTPA-b-PS, have been successfully synthesized by exploiting the living nature of PVTPA. We were also successful in synthesizing novel and optoelectrically active coil−rod−coil triblock copolymers comprised of regioregular poly(3-hexylthiophene) (P3HT) and PVTPA segments. Their characterization as well as thermal and optical properties have been investigat.
Mortality profiles of Castor and Trogontherium (Mammalia: Rodentia, Castoridae), with notes on the site formation of the Mid-Pleistocene hominin locality Bilzingsleben II (Thuringia, Central Germany)

The Middle Pleistocene site Bilzingsleben II is well-known for its wealth of vertebrate and archaeological remains. Of particular importance is the record of Homo erectus bilzingslebenensis. Most palaeontologists consider the find horizon as a primary vertebrate deposit formed during human occupation, while some archaeologists attribute its formation to turbulent gravitational mass flows, inundation or a combination of both. Here we present mortality profiles of the beavers Castor and Trogontherium to provide further arguments to this controversial discussion. The mortality profiles of Castor from Bilzingsleben II, Weimar-Ehringsdorf and Weimar-Taubach are largely identical indicating similar taphonomic filters that were effective in the formation of the find layers. Individuals, which were tentatively classified as suspected ±2–21⁄2 year old beavers dominate by far in all three sites. The structure of these mortality profiles shows similarities to Stiner’s (1990) “prime dominated mortality pattern”, which is indicative of human hunting. This consideration is supported by the difference of the mortality profile of Trogontherium from Bilzingsleben II (dominance of older individuals) in relation to the profiles of non-hominin generated assemblages of Tegelen and Mosbach 2 (dominance of younger individuals). Thus, our data support the interpretation of the Palaeolithic find horizon of Bilzingsleben II as a primary vertebrate deposit, but not the gravitational mass flow and inundation hypotheses.
Extrinsic p‐doped HgCdTe grown by direct alloy growth organometallic epitaxy

This paper describes the doping behavior of arsenic in HgCdTe, grown by organometallic epitaxy using the direct alloy growth process. It is shown that arsenic readily incorporates into HgCdTe during this growth process, to a doping concentration of 1×1017 cm−3. Secondary‐ion mass spectroscopy (SIMS) data clearly establishes the presence of arsenic in these layers. Moreover, excellent stability under annealing conditions (16 h at 270 °C followed by 10 h at 220 °C) indicates the suitability of arsenic as an extrinsic dopant source for HgCdTe. The net acceptor concentration is shown to be linearly proportional to the Hg overpressure. This fact, combined with mobility values which are comparable to those of bulk grown material, indicates that these layers are relatively uncompensated. High mobility values are preserved well into the saturated region of the acceptor concentration versus arsine flow rate characteristic. This is explained by the fact that the doping concentration is limited by surface coverage o.
Resorbable Antibiotic Coatings for Bone Substitutes and Implantable Devices

Antibiotic delivery systems based on biodegradable coatings have found considerable interest for the prophylaxis and local therapy of biomaterial‐related infections. In this study sparingly water‐soluble gentamicin salts have been prepared and tested as biodegradable antibiotic‐releasing coating systems. Using the coating systems, homogeneous, well adhering films can be produced on various implant materials, like ceramics, glasses or metals surfaces, with different surface morphologies. The in vitro release profiles of the antibiotic coating systems were characterized by an initial burst release followed by a sustained release of small antibiotic amounts up to several weeks. It was found that the in vitro release, especially in the initial phase, can be modulated by the ratio between highly water‐soluble gentamicin salts and sparingly soluble ones in the coating. Coating systems of the same type as described for gentamicin are available from a wide range of antibiotics differing in structure and mechanism of antibacterial action. Based on these results, the developed antibiotic coatings offer new perspectives to prevent and treat biomaterial‐related infections.
Synthesis and Characterization of Anatase Titanium Dioxide Nanoparticles Using Egg White Solution via Sol- Gel Method

Anatase titanium dioxide nanoparticles (TNPs) are synthesized by a simple and cost-effective process with and without freshly water-soluble egg white proteins (albumin) via sol-gel method. The main advantage of using egg white proteins as a gelling agent is that it can provide long-term stability for nanoparticles by preventing particles agglomeration. The X-ray diffraction and FTIR results indicate that the synthesized nanoparticles have only the anatase structure without the presence of any other phase impurities. Additionally, the TNPs are characterized by a number of techniques such as thermogravimetric analysis (TGA), X-ray diffraction analysis (XRD), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FTIR), and ultraviolet visible spectra (UV-vis). The sizes of titanium dioxide nanoparticles with and without using egg white solution are nm and nm, respectively. The results indicate that egg white solution is a reliable and cheap green gelling agent that can be used as a matrix in the sol-gel method to synthesis tiny size TNPs.
Mechanochemical synthesis of pyrazine:dicarboxylic acid cocrystals and a study of dissociation by quantitative phase analysis

Cocrystals of pyrazine with dicarboxylic acids were synthesised by mechanochemical methods. Crystal structure determination was performed by single crystal and powder X-ray diffraction (PXRD). The cocrystals consist of infinite 1D hydrogen-bonded chains exploiting the familiar pyridine-carboxylic acid synthon. The kinetics of dissociation of the pyrazine:phthalic acid cocrystal was studied at non-ambient conditions using PXRD and quantitative Rietveld phase analysis. We show that the dissociation process is both temperature and humidity dependent providing useful information about a possible dissociation mechanism.
Surface and interfacial tension measurement by drainage methods

The drainage of a liquid from a narrow vertical tube which is open at the bottom but closed at the top is prevented when the capillary forces exceed the gravitational forces acting on the liquid meniscus. The critical tube diameter for prevention of drainage is a function of surface or interfacial tension, and this effect forms the basis of three techniques for measuring surface or interfacial tension. Results are given for various liquid/air and liquid/liquid systems in (a) a tapered tube, (b) a rotating uniform tube and (c) a tilted uniform tube. Methods (a) and (b) appear capable of measuring surface or interfacial tension within about ± 1%. Le drainage d'un liquide dans un tube mince vertical, ouvert a la base et ferme au sommet, s'arre'te lorsque les forces capillaires excedent celles de gravitation qui s'exercent sur le menisque du liquide. Le diametre critique du tube, pour lequel le drainage est arre'te, est fonction de la tension superficielle ou interfaciale, et cet effet est a la base de trois methodes de mesure de la tension superficielle ou interfaciale. On presente les resultats obtenus, dans le cas de systemes liquide-air et liquide-liquide, dans (a) un tube avec un embout conique, (b) un tube uniforme en rotation (c) un tube uniforme bascule. Il semble que l'on puisse mesurer, par les methodes (a) et (b), la tension superficielle ou interfaciale, avec une precision de ± 1%.
Luminescent sensing of dissolved oxygen based on Ru(II) complex embedded in sol-gel matrix

In biological cells and tissues environment, real-time monitoring and controlling dissolved oxygen (DO) provides critical information for studying cellular metabolism process, health status and pathological features. This paper developed an optical DO sensor based on fluorescence quenching principle, prepared tris(4,7-diphenyl-1,10- phenanthroline)ruthenium(II) dichloride complex sol-gel sensing film, and studied its sensing performance. The principle of this sensor is that dissolved oxygen has quenching effect towards the fluorescence emitted by ruthenium complex. So the fluorescence intensity is reduced due to the existence of DO. The measurement limit of DO was 10- 100%, the response time was 20s, and the resolution was 0.02. Compared to traditional dissolved oxygen electrode probe, this luminescent fiber had many advantages, such as smaller size, shorter response time and higher stability.
Interaction of Ozone and Water Vapor with Spark Discharge Soot Aerosol Particles Coated with Benzo[a]pyrene: O3 and H2O Adsorption, Benzo[a]pyrene Degradation, and Atmospheric Implications

The interaction of ozone and water vapor with spark discharge soot particles coated with the five-ring polycyclic aromatic hydrocarbon benzo[a]pyrene (BaP) has been investigated in aerosol flow tube experiments at ambient temperature and pressure (296 K, 1 atm). The investigated range of ozone volume mixing ratio (VMR) and relative humidity (RH) was 0−1 ppm and 0−25%, respectively. The observed gas-phase ozone losses and pseudo-first-order BaP decay rate coefficients exhibited Langmuir-type dependencies on gas-phase ozone concentration and were reduced in the presence of water vapor, which indicates rapid, reversible and competitive adsorption of O3 and H2O on the particles followed by a slower surface reaction between adsorbed O3 and BaP. At low ozone VMR and RH, the half-life of surface BaP molecules was found to be shorter than previously reported (∼ 5 min at 30 ppb O3 under dry conditions). At higher RH and for multilayer BaP surface coverage, however, a strong increase of BaP half-life was observed a.
Improving the Removal Efficiency of Cyclones by Recycle Stream

An innovative way to increase the overall efficiency of a cyclone is presented. By recycling a fraction of the output stream to the inlet duct, the efficiency of the cyclone can be improved. Experiments were conducted using bench scale (0.1 m diameter) and pilot scale (0.456 m diameter) cyclones. The overall efficiency was evaluated for both cyclones at different ranges of recycle ratios. In the presence of the recycle stream, the efficiency increases in a monotonic manner. It may approach 100 % with the use of very high recycle ratios, provided that there is agglomeration of the fine particles available in the feed stream and/or adhesion of fines to the coarse particles. From the experimental results, it is observed that the agglomeration of fine particles is the most important factor for improving the cyclone efficiency by use of a recycle stream. Moreover, the effect of the recycle stream persists, even if the inlet velocity surpasses the saltation velocity of the cyclone.
Determination of room-temperature fluorescence and phosphorescence quantum yields for compounds adsorbed on solid surfaces

A method for the determination of the room-temperature fluorescence and room-temperature phosphorescence quantum yields for organic compounds adsorbed on different surfaces is described and evaluated. Quantum yield values were determined for compounds adsorbed on sodium acetate, a polyacrylic acid-NaBr mixture, and filter paper. The approach employs conventional instrumentation with various instrumental modifications for obtaining accurate and reproducible data. Quantum yield values at room temperature with and without nitrogen flowing over the solid surfaces are compared. The results show that the method is very reproducible and relatively low quantum yield values can be obtained. 17 references, 1 figure, 3 tables.
Investigating the impact of inter-limb asymmetry in hamstring strength on jump, sprint, and strength performance in young athletes: comparing the role of gross force

The main purpose of this cross-sectional study was to examine the impact of the inter-limb asymmetry of hamstring strength on jump, sprint and strength performance and to compare the effects of inter-limb asymmetry of hamstring strength with gross force (GF) of the hamstring on these physical qualities in youth volleyball athletes. Eighty-one youth volleyball players (age: 16.6 ± 1.9 years; training experience: 3.0 ± 0.9 years; height: 191.4 ± 7.1 cm; body mass: 78.5 ± 12.9 kg; lean body mass: 63.5 ± 10.5 kg; body fat rate: 18.6% ± 6.1%) performed a mid-season battery of tests consisting of morphological test, depth jump (DJ), counter movement jump (CMJ), squat jump (SJ), 10 m sprint, isometric mid-thigh pull (IMTP) and hamstring strength test. All tests reported good to excellent reliability (ICC range = 0.815–0.996) and acceptable variability (CV range = 3.26–7.84%). Results show a significant negative relationship between inter-limb asymmetry of hamstring strength and all physical qualities (r = −0.271 to −0.445; p < 0.05), and a significant positive relationship between GF of hamstring and all physical qualities (r = 0.303 to 0.664; p < 0.05). Additionally, GF of hamstring was more relevant to IMTP-PF (peak force) (r = 0.664) and inter-limb asymmetry of hamstring strength was more relevant to 10 m sprint (r = −0.445). The findings from this study indicate that, for youth athletes, the GF of the hamstring is crucial for overall lower limb strength performance, and the importance of inter-limb symmetry of hamstring strength increases with the complexity of the task.
Basics of bioinformatics and it’s application for applied life sciences: A national training workshop report-2019

A variety of bioinformatics tools in the areas of basic and applied life sciences has altered the worldview of bioscience studies over the years. The creation of new and strong bioinformatics techniques devoted to the acquisition, information mining and analysis of biological data enabled basic and applied research in life sciences from molecular biology to the creation of new biomedical tools. These bioinformatics advances cover the emerging biomedical research areas including the development of newer algorithms with predictive applications, genome annotation tools and prediction of function, gene expression analysis, and biological data in the form of advanced databases. Bioinformatics Sub-DIC, at department of molecular biology & genetic engineering, CBSH, Govind ballabh Pant University of Agriculture & Technology, Pantnagar, Uttarakhand, India having expertise in bioinformatics and conducting training, novel research projects, workshops with the UG, PG and doctorate courses of bioinformatics. Started in 1998 we have been conducting workshops and successfully trained hundreds of attendees including researchers, faculty, scientists etc. The workshop including lectures of eminent scientist and hands on practical sessions of various bioinformatics software/tools thus participants can perform by themselves on their own computer/laptop using bioinformatics. We have conducted more than 20 workshops around the country on latest technologies of bioinformatics especially NGS data analysis, Gene & genome annotation, drug discovery & designing, and MD Simulations. From these perspectives and a huge demand in the region a three days training course & hands-on workshop entitled “Basics of Bioinformatics and its Application for Applied Life Sciences” has been organized by Bioinformatics Sub-DIC Pantnagar to provide the emerging aspects of bioinformatics for agriculture and life sciences.
The influence of geometry and wall character of pores on the permeation of ions and water through desalination membranes

The transport of water and ions across mimicked nanotube membranes with pseudo atoms is studied using molecular dynamics simulations under equilibrium conditions and hydrostatic pressure. Different pore surface properties are constructed by assigning partial charges on the sites of specified atoms to explore the influence of charges and polarity. The energetics of water and ion transports through the nanopores was calculated to evaluate their filterability to water. The simulation results show that the free energy barriers to water and ion conductions much depend on the charges at the pore entrance and the dipole within the pore. The membranes with hydrophobic pores and negatively charged entrances would be very efficient in the water transport and ion rejection. The charges and dipoles of the pore wall and the aligned dipoles of water molecules in the pore can create a significant force on ions.
Solvation forces in simple dense fluids. I

The grand canonical ensemble Monte Carlo method is used to calculate the density profile of a simple dense liquid, under conditions close to the vapor line, between two solid bodies and also the solvation force between the solids due to the simple fluid. The force is large compared with the van der Waals force at moderate surface separations, h, but is an oscillatory function of h. At small values of h the solvation force is strongly repulsive.
Influence of Particle Wettability on the Type and Stability of Surfactant-Free Emulsions†

A systematic investigation into the influence of the wettability of spherical, nanometer-sized silica particles on the type and stability of water−toluene emulsions is described. The particles range from hydrophilic to hydrophobic depending on the extent of chemisorbed silane on their surfaces. We show that predictions based on considerations of the energy of attachment of a single particle to the oil−water interface relate directly to the stability of emulsions. A combination of powder immersion, shelf stability, light diffraction, and microscopy measurements is used to characterize the systems. Emulsions stabilized by either very hydrophilic or very hydrophobic particles are large (>100 μm) and unstable to coalescence. Those with particles of intermediate hydrophobicity are submicrometer and stable to coalescence indefinitely. For these, catastrophic inversion of emulsions occurs upon increasing the volume fraction of water, φw, and their stability to sedimentation or creaming increases approaching inve.
Light‐trapping properties of patch textures created using laser assisted texturing

For crystalline silicon solar cells, the efficient collection of light at wavelengths in the infrared is a challenge because of long absorption lengths. Especially for thinner wafers, an efficient light‐trapping scheme, such as the patch texture, is required for high short‐circuit current densities. We have measured the light‐trapping properties of patch textures produced by laser assisted texturing (LAST) on polished ⟨100⟩silicon wafers, and compared them with ray‐tracing simulations. Single‐sided random pyramid textures are created for comparison. Excellent agreement between simulations and measurements is achieved by employing diffuse scattering with a narrow angular distribution in the simulations, confirming the successful implementation of the process. We use our optical measurements of the textures for simulations of textures with rear reflectors, where we also investigate the influence on light‐trapping properties when varying geometry and reflectance properties. The results from the optical simulations are imported into the solar cell simulation program PC1D. For a 50 μm‐thick solar cell, we simulate an improvement in Jsc of up to 0.4 mA/cm2 when going from single‐sided random pyramid textures to patch textures, even when the performance of the texture is limited by process inaccuracies. Removing the physical inaccuracies of the laser system, the potential gain in Jsc on a 50 μm‐thick cell with a patch texture covering the complete wafer surface is 0.8 mA/cm2. We therefore conclude that the LAST method for creating patch textures is suitable to achieve an improved Jsc in thin monocrystalline silicon solar cells. Copyright © 2013 John Wiley & Sons, Ltd.
Assignment of quaternary carbons via two‐bond heteronuclear selective NOE difference, a useful structure elucidation aid

Very low power irradiation of suitable narrow peaks in the proton frequency range generated NOE enhancement in neighbouring quaternary carbons, positioned two bonds from the irradiated protons. Subsequent FID acquisition under normal broad band decoupling yielded the NOE‐containing FID, which, after subtraction of the unperturbed broad band decoupled FID (devoid of NOE), gave the final NOE difference FID to which only the carbons undergoing NOE enhancement had contributed. Fourier transformation of the latter gave the NOE difference spectrum, usually a one‐ or two‐peak spectrum. This technique proved particularly useful for polysubstituted aromatic rings.
A Case for Small Modular Fast Reactor

This paper describes a 50MWe Small Modular Fast Reactor (SMFR) design that has been developed jointly by Argonne National Laboratory (ANL), Commissariat a l'Energie Atomique (CEA), and Japan Atomic Energy Agency (JAEA) as an international collaborative effort. Key design innovations include a metallic fueled core with 30-year lifetime and supercritical carbon dioxide Brayton cycle.
Soft microgels as Pickering emulsion stabilisers: role of particle deformability

We synthesised soft uncharged microgels made of poly(N-isopropylacrylamide) of variable cross-linking degrees and we probed their efficiency as stabilisers to fabricate oil-in-water emulsions. Interestingly, such particles undergo a swollen-to-collapsed transition above a critical temperature. By combining several microscopy methods and by exploiting the limited coalescence process, we were able to determine both the particle concentration and structure at the interface, as a function of the cross-linking density. Being deformable, the initially spherical microgels adopt a “fried egg-like” structure when adsorbed at the oil/water interface. As expected, the interfacial deformation is increasingly pronounced as the cross-linking degree decreases. The most deformable microgels tend to form 2D connected networks characterised by significant overlapping of the peripheral parts. When the deformability is lost, by increasing the cross-linking density or the temperature, the stabilisation efficiency is considerably reduced. Our results strongly suggest that emulsion stability is mainly determined by the microgels' deformability and we discuss the origin of that empirical link in terms of lateral overlapping and interfacial elasticity.