bluuebunny/crossref_metadata_2025 huggingface dataset:
Wavelength Dependence of the Transformation Mechanism of Sulfonamides Using Different LED Light Sources and TiO2 and ZnO Photocatalysts
Authors: Náfrádi Máté , Alapi Tünde , Farkas Luca , Bencsik Gábor , Kozma Gábor , Hernádi Klára
Published: December 2021

The comparison of the efficiency of the commercially available photocatalysts, TiO2 and ZnO, irradiated with 365 nm and 398 nm light, is presented for the removal of two antibiotics, sulfamethazine (SMT) and sulfamethoxypyridazine (SMP). The •OH formation rate was compared using coumarin, and higher efficiency was proved for TiO2 than ZnO, while for 1,4-benzoquinone in O2-free suspensions, the higher contribution of the photogenerated electrons to the conversion was observed for ZnO than TiO2, especially at 398 nm irradiation. An extremely fast transformation and high quantum yield of SMP in the TiO2/LED398nm process were observed. The transformation was fast in both O2 containing and O2-free suspensions and takes place via desulfonation, while in other cases, mainly hydroxylated products form. The effect of reaction parameters (methanol, dissolved O2 content, HCO3− and Cl−) confirmed that a quite rarely observed energy transfer between the excited state P25 and SMP might be responsible for this unique behavior. In our opinion, these results highlight that “non-conventional” mechanisms could occur even in the case of the well-known TiO2 photocatalyst, and the effect of wavelength is also worth investigating.
Evaluation of High-Temperature and Low-Temperature Performances of Lignin–Waste Engine Oil Modified Asphalt Binder and Its Mixture
Authors: Xue Xue , Gao Junfeng , Wang Jiaqing , Chen Yujing
Published: December 2021

This research aims to explore the high-temperature and low-temperature performances of lignin–waste engine oil-modified asphalt binder and its mixture. For this research, the lignin with two contents (4%, 6%) and waste engine oil with two contents (3%, 5%) were adopted to modify the control asphalt binder (PG 58-28). The high-temperature rheological properties of the lignin–waste engine oil-modified asphalt binder were investigated by the viscosity obtained by the Brookfield viscometer and the temperature sweep test by the dynamic shear rheometer. The low-temperature rheological property of the lignin–waste engine oil-modified asphalt binder was evaluated by the stiffness and m-value at two different temperatures (−18 °C, −12 °C) obtained by the bending beam rheometer. The high-temperature and the low-temperature performances of the lignin–waste engine oil-modified asphalt mixture were explored by the rutting test and low-temperature bending beam test. The results displayed that the rotational viscosity and rutting factor improved with the addition of lignin and decreased with the incorporation of waste engine oil. Adding the lignin into the control asphalt binder enhanced the elastic component while adding the waste engine oil lowered the elastic component of the asphalt binder. The stiffness of asphalt binder LO60 could not meet the requirement in the specification, but the waste engine oil made it reach the requirement based on the bending beam rheometer test. The waste engine oil could enhance the low-temperature performance. The dynamic stabilities of LO40- and LO60-modified asphalt mixture increased by about 9.05% and 17.41%, compared to the control mixture, respectively. The maximum tensile strain of LO45 and LO65 increased by 16.39% and 25.28% compared to that of LO40 and LO60, respectively. The high- and low-temperature performances of the lignin–waste engine oil-modified asphalt LO65 was higher than that of the control asphalt. The dynamic stability had a good linear relationship with viscosity, the rutting factor of the unaged at 58 °C, and the rutting factor of the aged at 58 °C, while the maximum tensile strain had a good linear relationship with m-value at −18 °C. This research provides a theoretical basis for the further applications of lignin–waste engine oil-modified asphalt.
The Effect of the Crucible on the Temperature Distribution for the Growth of a Large Size AlN Single Crystal
Authors: Yu Yue , Liu Botao , Tang Xia , Song Botao , Han Pengfei , Liu Sheng , Gao Bing
Published: December 2021

The appropriate distribution of temperature in the growth system is critical for obtaining a large size high quality aluminum nitride (AlN) single crystal by the physical vapor transport (PVT) method. As the crystal size increases, the influence of the crucible on the temperature distribution inside the growth chamber becomes greater. In order to optimize the field of temperature and study the specific effects of various parts of the crucible on the large size AlN single crystal growth system, this study carried out a series of numerical simulations of the temperature field of two crucibles of different materials and put forward the concept of a composite crucible, which combines different materials in the crucible parts. Four composite crucible models were established with different proportions and positions of tantalum carbide (TaC) parts and graphite parts in the crucible. Calculations reveal that different parts of the crucible have different effects on the internal temperature distribution. The axial temperature gradient at the crystal was mainly governed by the crucible wall, whereas the temperature gradient was determined by the integrated effect of the crucible lid and the crucible wall in the radial direction. One type of composite crucible was chosen to minimize the thermal stress in grown AlN crystal, which is applicable to the growth of large sized AlN crystals in the future; it can also be used to grow AlN single crystals at present as well.
Low-Cost High Performance Polyamide Thin Film Composite (Cellulose Triacetate/Graphene Oxide) Membranes for Forward Osmosis Desalination from Palm Fronds
Authors: Jamil Tarek S. , Nasr Rabab A. , Abbas Hussien A. , Ragab Tamer I. M. , Xabela Sinethemba , Moutloali Richard
Published: December 2021

Novel low-cost cellulose triacetate-based membranes extracted from palm fronds have been fabricated through the phase–inversion procedure. The cellulose tri-acetate (CTA) membrane was modified by incorporation of graphene oxide (GO) prepared from palm fronds according to the modified Hummer method as well as the preparation of polyamide thin film composite CTA membranes to improve forward osmosis performance for seawater desalination. The surface characteristics and morphology of the prepared CTA, GO, and the fabricated membranes were investigated. The modified TFC prepared membrane had superior mechanical characteristics as well as permeation of water. The performance of the prepared membranes was tested using synthetic 2 M Sodium chloride (NaCl) feed solution. The water flux (Jw) of the thin-film composite (TFC) (CTA/0.3% GO) was 35 L/m2h, which is much higher than those of pure CTA and CTA/0.3% GO. Meanwhile, the salt reverse flux TFC (CTA/0.3% GO) was 1.1 g/m2h), which is much lower than those of pure CTA and CTA/0.3%. GO (Specific salt flux of TFC (CTA/0.3% GO) substrate membrane was 0.03 g/L indicating good water permeation and low reverse salt flux of the TFC membrane compared to CTA. A real saline water sample collected from Hurgada, Egypt, with totally dissolved solids of 42,643 mg/L with NaCl as the draw solution (DS) at 25 °C and flow rate 1.55 L/min, was used to demonstrate the high performance of the prepared TFC membrane. The chemical analysis of desalted permeated water sample revealed the high performance of the prepared TFC membrane. Consequently, the prepared low-cost forward osmosis (FO) thin-film composite CTA membranes can be introduced in the desalination industry to overcome the high cost of reverse osmosis membrane usage in water desalination.
Understanding the Origin of the Hysteresis of High-Performance Solution Processed Polycrystalline SnO2 Thin-Film Transistors and Applications to Circuits
Authors: Avis Christophe , Jang Jin
Published: December 2021

Crystalline tin oxide has been investigated for industrial applications since the 1970s. Recently, the amorphous phase of tin oxide has been used in thin film transistors (TFTs) and has demonstrated high performance. For large area electronics, TFTs are well suited, but they are subject to various instabilities due to operating conditions, such as positive or negative bias stress PBS (NBS). Another instability is hysteresis, which can be detrimental in operating circuits. Understanding its origin can help fabricating more reliable TFTs. Here, we report an investigation on the origin of the hysteresis of solution-processed polycrystalline SnO2 TFTs. We examined the effect of the carrier concentration in the SnO2 channel region on the hysteresis by varying the curing temperature of the thin film from 200 to 350 °C. Stressing the TFTs characterized further the origin of the hysteresis, and holes trapped in the dielectric are understood to be the main source of the hysteresis. With TFTs showing the smallest hysteresis, we could fabricate inverters and ring oscillators.
Permeability and Stability of Hydrophobic Tubular Ceramic Membrane Contactor for CO2 Desorption from MEA Solution
Authors: Guo Yunzhao , Qi Wenbo , Fu Kaiyun , Chen Xianfu , Qiu Minghui , Fan Yiqun
Published: December 2021

Ceramic membrane contactors hold great promise for CO2 desorption due to their high mass transfer area as well as the favorable characteristics of ceramic materials to resist harsh operating conditions. In this work, a hydrophobic tubular asymmetric alpha-alumina (α-Al2O3) membrane was prepared by grafting a hexadecyltrimethoxysilane ethanol solution. The hydrophobicity and permeability of the membrane were evaluated in terms of water contact angle and nitrogen (N2) flux. The hydrophobic membrane had a water contact angle of ~132° and N2 flux of 0.967 × 10−5 mol/(m2∙s∙Pa). CO2 desorption from the aqueous monoethanolamine (MEA) solution was conducted through the hydrophobic tubular ceramic membrane contactor. The effects of operating conditions, such as CO2 loading, liquid flow rate, liquid temperature and permeate side pressure, on CO2 desorption flux were investigated. Moreover, the stability of the membrane was evaluated after the immersion of the ceramic membrane in an MEA solution at 373 K for 30 days. It was found that the hydrophobic α-Al2O3 membrane had good stability for CO2 desorption from the MEA solution, resulting in a <10% reduction of N2 flux compared to the membrane without MEA immersion.
Study on the Preparation of Cellulose Acetate Separation Membrane and New Adjusting Method of Pore Size
Authors: Wang Jianming , Song Hongchen , Ren Longfei , Talukder Md Eman , Chen Shunquan , Shao Jiahui
Published: December 2021

As a kind of eco-friendly (biodegradable) material and with a natural anti-fouling ability, cellulose acetate (CA) is more suitable for single-use membrane (especially in bioprocess). In this study, the method for preparing CA membrane by Vapor-assisted Nonsolvent Induced Phase Separation (VNIPS) was studied. The influences of ratio compositions (solid content, acetone/N,N-Dimethylacetamide ratio, glycerol/CA ratio) and membrane preparation conditions (evaporation time, evaporation temperature and humidity) on the microstructure and other properties were systematically evaluated. Results indicated that acetone/N,N-Dimethylacetamide ratio and glycerol/CA ratio had great influence on the cross-section structure of membranes. Additionally, the membrane with homogeneous sponge-like porous structure could be prepared stably within certain limits of ratios. Under the premise of keeping the content of other components fixed, the separation membrane with a full sponge pore structure can be obtained when the ratio of glycerol/CA is ≥2.5 or the acetone/solvent ratio is between 0.25 and 0.5. Evaporation time and temperature, humidity and other membrane preparation conditions mainly affected the surface morphology and the pore size. This kind of high-performance membrane with homogeneous sponge-like pore and controllable surface morphology could be potentially used for bioseparation processes.
Sustainable Processes in Aluminium, Magnesium, and Titanium Alloys Applied to the Transport Sector: A Review
Authors: Blanco David , Rubio Eva María , Lorente-Pedreille Raquel María , Sáenz-Nuño María Ana
Published: December 2021

The reduction of consumption and pollutant emissions is a top priority for the transport sector. One working line is the substitution of conventional structural materials with lightweight materials such as metallic alloys of aluminium, titanium, and/or magnesium. For this reason, and considering that the number of related articles is lower than the existing number of other structural lightweight materials, it is considered very convenient and helpful to carry out a systematic analysis of their latest trends through Open Access literature. A methodology adapted from the PRISMA statement is applied, in order to guarantee unbiasedness and quality in selecting literature and research. The final selection is made up of the 40 most cited research papers from 2015–2020, with an average of 20.6 citations per article. Turning and drilling are the most trending machining processes, and there is particular interest in the study of sustainable cooling, such as dry machining, cryogenic cooling, and MQL. In addition, another trending topic is multi-materials and joining dissimilar materials with guarantees. Additive manufacturing has also been identified as an increasingly trending theme, appearing in 18% of the selected studies. This work is complemented with summary tables of the most cited Open Access articles on sustainable machining and cooling, multi-materials or hybrid components, and additive manufacturing.
Mechanical and Physical Properties of Differently Alloyed Sintered Steels as a Function of the Sintering Temperature
Authors: Hojati Milad , Danninger Herbert , Gierl-Mayer Christian
Published: December 2021

In this paper, the effect of processes occurring during the sintering of four powder metallurgy steel grades on the resulting properties were investigated. This included three grades prepared from plain iron powder with admixed graphite, one grade alloyed also with elemental copper and another with Fe-Mn-Si masteralloy. One further grade was prepared from Cr-Mo pre-alloyed powder with admixed graphite. The effect of the sintering processes was examined in the temperature range of 700–1300 °C in an inert atmosphere (Ar). In order to study oxygen removal, DTA/TG runs linked with mass spectrometry (MS) as well as C/O elemental analysis were performed. Charpy impact tests and fractography studies were performed to study the effect of the temperature on the formation and growth of sintering contacts. Characterization also included metallography, dimensional change, sintered density, and hardness measurements to describe the dissolution of carbon and alloying elements during the process. Physical properties that were measured were electrical conductivity and coercive force. The results showed that, in all steels, the reduction of oxides that occur during the heating stage plays a key role in the formation and growth of the sintering contacts as well as in the completion of alloying processes. In the chromium alloy steel, the presence of the stable chromium oxides delays these processes up to higher temperatures, while in the other steels that are based on plain iron powder, these processes take place earlier in the heating stage, at lower temperatures. Compared to the standard Fe-C and Fe-Cu-C grades, the Cr-Mo steel requires more sophisticated sintering to ensure oxygen removal, but on the other hand it offers the best properties. The masteralloy variant, finally, can be regarded as a highly attractive compromise between manufacturing requirements, alloy element content, and product properties.
Thermodynamic Characterization and Equation of State for Solid and Liquid Lead
Authors: Kozyrev Nikolay V. , Gordeev Vladimir V.
Published: December 2021

A high-temperature equation of state (EoS) for the fcc phase of solid lead and liquid lead was developed herein using experimental data on thermodynamic properties, volumetric thermal expansion, compressibility, temperature-dependent bulk modulus, and sound velocity from ultrasonic measurements and melting curve. The whole totality of experimental data was optimized using the temperature-dependent Murnaghan EoS over a pressure range of 0–130 kbar. The temperature dependences of thermodynamic and thermophysical parameters were described herein using an expanded Einstein model. The resultant EoS describes well the whole set of available experimental data within measurement uncertainties of individual parameters.
Influence of TiN Inclusions and Segregation on the Delayed Cracking in NM450 Wear-Resistant Steel
Authors: Liu Jingjing , Liu Denghui , Zuo Xiurong , Liu Lihua , Yan Qiangjun
Published: December 2021

High-strength, wear-resistant steel often suffers from delayed cracking after flame cutting. Delayed cracking can lead to extremely harmful sudden brittle fracture; therefore, it is necessary to study the formation of delayed cracking in high-strength steel. This work investigated the influence of TiN inclusions and segregation on the delayed cracking in NM450 wear-resistant steel by optical microscopy, scanning electron microscopy, X-ray diffraction, transmission electron microscopy and electron backscattered diffractometer methods. The results indicated that the delayed cracks originated from the segregation zones (SZs) containing multiple high-hardness segregation bands. The tensile strength of the SZ specimens was higher than that of non-segregation zone (NSZ) specimens, while the total elongation and reduction of area of the SZ specimens were relatively lower compared with the NSZ specimens. Therefore, the delayed cracking on the flame cutting surface of the NM450 steel plate was attributed to the existence of SZs that contain a high density of dislocations and considerable micro-sized TiN inclusions.
Prognostic Value of 18F-FDG PET/CT Volume-Based Metabolic Parameters in Patients with Node-Negative Stage II Esophageal Squamous Cell Carcinoma
Authors: Shen Daniel Hueng-Yuan , Chan Hung-Pin , Tsai Fu-Ren , Hu Chin , Chen Allan Yi-Nan , Chan Hung-Yen , Lee Che-Hsin , Chuang Kuo-Pin , Yang Ming-Hui , Tyan Yu-Chang
Published: December 2021

Esophageal squamous cell carcinoma (ESCC) is a major cancer prevalent in Asian males. Pretreatment tumor burden can be prognostic for ESCC. We studied the prognostic value of metabolic parameters of 2-deoxy-2-[18F] fluoro-D-glucose positron emission tomography/computed tomography (18F-FDG PET/CT) and the serum squamous cell carcinoma antigen (SCC-Ag) level in node-negative stage II ESCC patients. Eighteen males underwent staging evaluation were included. The volume-based metabolic parameters derived from 18F-FDG PET/CT, including metabolic tumor volume (MTV) and total lesion glycolysis (TLG), were obtained using the PET Volume Computer Assisted Reading application. The Spearman correlation coefficients were calculated to assess the relationship between metabolic parameters and pretreatment serum SCC-Ag levels. Based on the 5-year follow-up, patients were sub-divided into the demised and the stable groups. Potential prognostic value was assessed by independent t-test and the Mann–Whitney U test. The association of overall survival was assessed using univariate and multivariate Cox regression analyses. The demised group showed significant higher values in serum SCC-Ag, as well as in MTV and TLG, but not SUVmax and SUVmean. The SUVmax, MTV, TLG, and serum SCC-Ag showed significant association with overall survival. Our findings suggest potential usage of pretreatment volume-based metabolic parameters of 18F-FDG PET/CT and serum SCC-Ag as prognostic factors for node-negative stage II ESCC patients.
A Systematic Approach for Developing 3D High-Quality PDMS Microfluidic Chips Based on Micromilling Technology
Authors: Javidanbardan Amin , Azevedo Ana M. , Chu Virginia , Conde João P.
Published: December 2021

In recent years, there has been an increased interest in exploring the potential of micro-and mesoscale milling technologies for developing cost-effective microfluidic systems with high design flexibility and a rapid microfabrication process that does not require a cleanroom. Nevertheless, the number of current studies aiming to fully understand and establish the benefits of this technique in developing high-quality microsystems with simple integrability is still limited. In the first part of this study, we define a systematic and adaptable strategy for developing high-quality poly(methyl methacrylate) (PMMA)-based micromilled structures. A case study of the average surface roughness (Ra) minimization of a cuboid column is presented to better illustrate some of the developed strategies. In this example, the Ra of a cuboid column was reduced from 1.68 μm to 0.223 μm by implementing milling optimization and postprocessing steps. In the second part of this paper, new strategies for developing a 3D microsystem were introduced by using a specifically designed negative PMMA master mold for polydimethylsiloxane (PDMS) double-casting prototyping. The reported results in this study demonstrate the robustness of the proposed approach for developing microfluidic structures with high surface quality and structural integrability in a reasonable amount of time.
Coupled Finite Element-Finite Volume Multi-Physics Analysis of MEMS Electrothermal Actuators
Authors: Sciberras Thomas , Demicoli Marija , Grech Ivan , Mallia Bertram , Mollicone Pierluigi , Sammut Nicholas
Published: December 2021

Microelectromechanical systems (MEMS) are the instruments of choice for high-precision manipulation and sensing processes at the microscale. They are, therefore, a subject of interest in many leading industrial and academic research sectors owing to their superior potential in applications requiring extreme precision, as well as in their use as a scalable device. Certain applications tend to require a MEMS device to function with low operational temperatures, as well as within fully immersed conditions in various media and with different flow parameters. This study made use of a V-shaped electrothermal actuator to demonstrate a novel, state-of-the-art numerical methodology with a two-way coupled analysis. This methodology included the effects of fluid–structure interaction between the MEMS device and its surrounding fluid and may be used by MEMS design engineers and analysts at the design stages of their devices for a more robust product. Throughout this study, a thermal–electric finite element model was strongly coupled to a finite volume model to incorporate the spatially varying cooling effects of the surrounding fluid (still air) onto the V-shaped electrothermal device during steady-state operation. The methodology was compared to already established and accepted analysis methods for MEMS electrothermal actuators in still air. The maximum device temperatures for input voltages ranging from 0 V to 10 V were assessed. During the postprocessing routine of the two-way electrothermal actuator coupled analysis, a spatially-varying heat transfer coefficient was evident, the magnitude of which was orders of magnitude larger than what is typically applied to macro-objects operating in similar environmental conditions. The latter phenomenon was correlated with similar findings in the literature.
FIB-Assisted Fabrication of Single Tellurium Nanotube Based High Performance Photodetector
Authors: Xu Wangqiong , Lu Ying , Lei Weibin , Sui Fengrui , Ma Ruru , Qi Ruijuan , Huang Rong
Published: December 2021

Nanoscale tellurium (Te) materials are promising for advanced optoelectronics owing to their outstanding photoelectrical properties. In this work, high-performance optoelectronic nanodevice based on a single tellurium nanotube (NT) was prepared by focused ion beam (FIB)-assisted technique. The individual Te NT photodetector demonstrates a high photoresponsivity of 1.65 × 104 AW−1 and a high photoconductivity gain of 5.0 × 106%, which shows great promise for further optoelectronic device applications.
Elemental Concentrations of Major and Trace Elements in the Spring Waters of the Arctic Region of Russia
Authors: Novikov Andrey I. , Shirokaya Anna A. , Slukovskaya Marina V.
Published: December 2021

The Arctic region of Russia is rich with natural water resources. Some residents of this area prefer to use water from spring sources instead of tap water. However, the elemental composition for most of the springs is unknown, making it very important to regularly update water quality data. In this paper, the chemical composition of 24 natural springs near large cities of the Murmansk region were identified via titration, potentiometry, and mass spectrometry analysis with the low detection limits. The concentrations of a considerable number of micro-components have been determined for the first time. Concentrations of some hazardous pollutants have been found in spring water that exceed Russian hygienic limits by 2.5 times. In terms of chemical indicators, it was shown that in accordance with European and national water standards, only half of the tested natural water sources in the Murmansk region can be used for drinking water. The preferential spring was recommended near each major city in the region according to a set of chemical parameters. The results of chemical composition of the spring waters were disseminated publicly by placing the tags with QR codes with the link to the cloud storage near each studied spring.
Effects of Nanohydroxyapatite Incorporation into Glass Ionomer Cement (GIC)
Authors: Murugan Rishnnia , Yazid Farinawati , Nasruddin Nurrul Shaqinah , Anuar Nur Najmi Mohamad
Published: December 2021

Glass ionomer cement (GIC) or polyalkenoate cement is a water-based cement that is commonly used in clinical dentistry procedures as a restorative material. It exhibits great properties such as fluoride-ion release, good biocompatibility, ease of use and great osteoconductive properties. However, GIC’s low mechanical properties have become a major drawback, limiting the cement’s usage, especially in high stress-bearing areas. Nanohydroxyapatite, which is a biologically active phosphate ceramic, is added as a specific filler into glass ionomer cement to improve its properties. In this review, it is shown that incorporating hydroxyapatite nanoparticles (nHA) into GIC has been proven to exhibit better physical properties, such as increasing the compressive strength and fracture toughness. It has also been shown that the addition of nanohydroxyapatite into GIC reduces cytotoxicity and microleakage, whilst heightening its fluoride ion release and antibacterial properties. This review aims to provide a brief overview of the recent studies elucidating their recommendations which are linked to the benefits of incorporating hydroxyapatite nanoparticles into glass ionomer cement.
The Synthesis of Biodegradable Poly(L-Lactic Acid)-Polyethylene Glycols Copolymer/Montmorillonite Nanocomposites and Analysis of the Crystallization Properties
Authors: Hwang Jiunn-Jer , Huang Su-Mei , Lin Wen-Yang , Liu Hsin-Jiant , Chuang Cheng-Chan , Chiu Wen-Hui
Published: December 2021

This study makes use of polycondensation to produce poly (L-lactic acid)-(polyethylene glycols), a biodegradable copolymer, then puts it with organically modified montmorillonite (o-MMT) going through an intercalation process to produce a series of nanocomposites of PLLA-PEG/o-MMT. The exfoliation and intercalation of the montmorillonite-layered structure could be found through X-ray diffraction and transmission electron microscopy. The lower the molecular weight of poly (ethylene glycol), the more obvious the exfoliation and dispersion. The nanocomposites were investigated under non-isothermal crystallization and isothermal crystallization separately via differential scanning calorimetry (DSC). After the adding of o-MMT to PLLA-PEG copolymers, it was found that the PLLA-PEG nanocomposites crystallized slowly and the crystallization peak tended to become broader during the non-isothermal crystallization process. Furthermore, the thermal curve of the non-isothermal melt crystallization process of PLLA-PEG copolymers with different proportions of o-MMT showed that the melting point decreased gradually with the increase of o-MMT content. In the measurement of isothermal crystallization, increasing the o-MMT of the PLLA-PEG copolymers would increase the t1/2 (crystallization half time) for crystallization and decrease the value of ΔHc. However, the present study results suggest that adding o-MMT could affect the crystallization rate of PLLA-PEG copolymers. The o-MMT silicate layer was uniformly dispersed in the PLLA-PEG copolymers, forming a nucleating agent. The crystallization rate and the regularity of the crystals changed with the increase of the o-MMT content, which further affected the crystallization enthalpies.
Geometallurgical Characterisation with Portable FTIR: Application to Sediment-Hosted Cu-Co Ores
Authors: Dehaine Quentin , Tijsseling Laurens T. , Rollinson Gavyn K. , Buxton Mike W. N. , Glass Hylke J.
Published: December 2021

Cobalt (Co) mine production primarily originates from the sediment-hosted copper (Cu) deposits of the Democratic Republic of Congo (DRC). These deposits usually consist of three ore zones with a supergene oxide ore blanket overlying a transition zone which grades into a sulphide zone at depth. Each of these zones display a mineral assemblage with varying gangue mineralogy and, most importantly, a distinct state of oxidation of the mineralisation. This has direct implications for Cu and Co extraction during mineral processing as it dictates which processing method is to be used (i.e., leaching vs. flotation) and affects the performance of these. To optimise resource efficiency, reduce technical risks and environmental impacts, comprehensive understanding of variation of ore mineralogy and texture in the deposit is essential. By defining geometallurgical ore types according to their inferred metallurgical behaviour, this information can serve to classify the resources and improve resource management. To obtain insight into the spatial distribution of mineral grades, it is necessary to develop techniques that have the potential to measure rapidly and, preferably, within the mine at relatively low-cost. In this study, the application of portable Fourier transformed infrared (FTIR) spectroscopy is investigated to measure the mineralogy of drill core samples. A set of samples from a sediment-hosted Cu-Co deposit in DRC was selected to test this approach. Results were validated using automated mineralogy (QEMSCAN). Prediction of gangue and target mineral grades from the FTIR spectra was achieved through partial least squares regression (PLS-R) combined with competitive adaptive reweighted sampling (CARS). It is shown that the modal mineralogy obtained from FTIR can be used to classify the ore according to type of mineralisation and gangue mineralogy into geometallurgical ore types. This classification supports selection of a suitable processing route and is likely to affect the overall process performance.
Polysaccharides Release in a Laboratory-Scale Batch Hydrothermal Pretreatment of Wheat Straw under Rigorous Isothermal Operation
Authors: Rodríguez Felicia , Aguilar-Garnica Efrén , Santiago-Toribio Adrián , Sánchez Arturo
Published: December 2021

Hydrothermal pretreatment (HP) is an eco-friendly process for deconstructing lignocellulosic biomass (LCB) that plays a key role in ensuring the profitability of producing biofuels or bioproducts in a biorefinery. At the laboratory scale, HP is usually carried out under non-isothermal regimes with poor temperature control. In contrast, HP is usually carried out under isothermal conditions at the commercial scale. Consequently, significant discrepancies in the values of polysaccharide releases are found in the literature. Therefore, laboratory-scale HP data are not trustworthy if scale-up or retrofitting of HP at larger scales is required. This contribution presents the results of laboratory-scale batch HP for wheat straw in terms of xylan and glucan release that were obtained with rigorous temperature control under isothermal conditions during the reaction stage. The heating and cooling stages were carried out with fast rates (43 and −40 °C/min, respectively), minimizing non-isothermal reaction periods. Therefore, the polysaccharide release results can be associated exclusively with the isothermic reaction stage and can be considered as a reliable source of information for HP at commercial scales. The highest amount of xylan release was 4.8 g/L or 43% obtained at 180 °C and 20 min, while the glucan release exhibited a maximum of 1.2 g/L or 5.5%. at 160 °C/180 °C and 30 min.
Adsorption of N,N,N′,N′-Tetraoctyl Diglycolamide on Hypercrosslinked Polysterene from a Supercritical Carbon Dioxide Medium
Authors: Kostenko Mikhail , Parenago Olga
Published: December 2021

The work considers for the first time the preparation of sorbents based on hypercrosslinked polysterene (HCP) and chelating agent N,N,N′,N′-tetraoctyl diglycolamide (TODGA) by impregnation in the supercritical (SC) CO2 medium. Such sorbents can be applied for further isolation and separation of lanthanides, actinides and other metals. They are usually prepared by impregnation in toxic organic solvents (e.g., methanol, dichloromethane). Our study shows that application of SC CO2 instead of organic solvents can significantly speed up the impregnation, perfom it in one stage and make the process more eco-friendly. At the same time, the obtained sorbents are close in their parameters to the classical ones. This article presents the results of measuring the TODGA adsorption isotherms on two HCP sorbents (MN202 and MN270) on a wide range of SC fluid parameters. Adsorption measurements were carried out using on-line supercritical fluid chromatography and gravimetry. Based on the sorption capacity parameter, MN202 sorbent was selected as the better carrier for TODGA. An impregnation temperature increase within the range 313–343 K in isochoric conditions (ρ = 0.780 g/mL) reduces the maximum of TODGA adsorption from ~0.68 mmol/g to ~0.49 mmol/g.
Vibrational Spectroscopy of Homo- and Heterochiral Amino Acid Dimers: Conformational Landscapes
Authors: Wang Haolu , Heger Matthias , Al-Jabiri Mohamad H. , Xu Yunjie
Published: December 2021

The homo- and heterochiral protonated dimers of asparagine with serine and with valine were investigated using infrared multiple-photon dissociation (IRMPD) spectroscopy. Extensive quantum-chemical calculations were used in a three-tiered strategy to screen the conformational spaces of all four dimer species. The resulting binary structures were further grouped into five different types based on their intermolecular binding topologies and subunit configurations. For each dimer species, there are eight to fourteen final conformational geometries within a 10 kJ mol−1 window of the global minimum structure for each species. The comparison between the experimental IRMPD spectra and the simulated harmonic IR features allowed us to clearly identify the types of structures responsible for the observation. The monomeric subunits of the observed homo- and heterochiral dimers are compared to the corresponding protonated/neutral amino acid monomers observed experimentally in previous IRMDP/rotational spectroscopic studies. Possible chirality and kinetic influences on the experimental IRMPD spectra are discussed.
Recent Advances in Polyurethane/POSS Hybrids for Biomedical Applications
Authors: Ozimek Jan , Pielichowski Krzysztof
Published: December 2021

Advanced organic-inorganic materials-composites, nanocomposites, and hybrids with various compositions offer unique properties required for biomedical applications. One of the most promising inorganic (nano)additives are polyhedral oligomeric silsesquioxanes (POSS); their biocompatibility, non-toxicity, and phase separation ability that modifies the material porosity are fundamental properties required in modern biomedical applications. When incorporated, chemically or physically, into polyurethane matrices, they substantially change polymer properties, including mechanical properties, surface characteristics, and bioactivity. Hence, this review is dedicated to POSS-PU composites that have recently been developed for applications in the biomedical field. First, different modes of POSS incorporation into PU structure have been presented, then recent developments of PU/POSS hybrids as bio-active composites for scaffolds, cardiovascular stents, valves, and membranes, as well as in bio-imaging and cancer treatment, have been described. Finally, characterization and methods of modification routes of polyurethane-based materials with silsesquioxanes were presented.
In-Situ Formation of Modified Nickel–Zinc-Layered Double Hydroxide Followed by HPLC Determination of Neonicotinoid Insecticide Residues
Authors: Vichapong Jitlada , Kachangoon Rawikan , Burakham Rodjana , Santaladchaiyakit Yanawath , Srijaranai Supalax
Published: December 2021

A single-step preconcentration procedure using the in-situ formation of modified nickel–zinc-layered double hydroxides (LDHs) prior to high-performance liquid chromatography (HPLC) is investigated for the determination of neonicotinoid insecticide residues in honey samples. The LDHs could be prepared by the sequential addition of sodium hydroxide, sodium dodecyl sulfate, nickel nitrate 6-hydrate and zinc nitrate 6-hydrate, which were added to the sample solution. The co-precipitate phase and phase separation were obtained by centrifugation, and then the precipitate phase was dissolved in formic acid (concentrate) prior to HPLC analysis. Various analytical parameters affecting extraction efficiency were studied, and the characterization of the LDHs phase was performed using Fourier-transformed infrared spectroscopy and scanning electron microscopy. Under optimum conditions, the limit of detection of the studied neonicotinoids, in real samples, were 30 μg L−1, for all analytes, lower than the maximum residue limits established by the European Union (EU). The developed method provided high enrichment, by a factor of 35. The proposed method was utilized to determine the target insecticides in honey samples, and acceptable recoveries were obtained.
De Novo Transcriptome Analysis of the Venom of Latrodectus geometricus with the Discovery of an Insect-Selective Na Channel Modulator
Authors: Khamtorn Pornsawan , Peigneur Steve , Amorim Fernanda Gobbi , Quinton Loïc , Tytgat Jan , Daduang Sakda
Published: December 2021

The brown widow spider, Latrodectus geometricus, is a predator of a variety of agricultural insects and is also hazardous for humans. Its venom is a true pharmacopeia representing neurotoxic peptides targeting the ion channels and/or receptors of both vertebrates and invertebrates. The lack of transcriptomic information, however, limits our knowledge of the diversity of components present in its venom. The purpose of this study was two-fold: (1) carry out a transcriptomic analysis of the venom, and (2) investigate the bioactivity of the venom using an electrophysiological bioassay. From 32,505 assembled transcripts, 8 toxin families were classified, and the ankyrin repeats (ANK), agatoxin, centipede toxin, ctenitoxin, lycotoxin, scorpion toxin-like, and SCP families were reported in the L. geometricus venom gland. The diversity of L. geometricus venom was also uncovered by the transcriptomics approach with the presence of defensins, chitinases, translationally controlled tumor proteins (TCTPs), leucine-rich proteins, serine proteases, and other important venom components. The venom was also chromatographically purified, and the activity contained in the fractions was investigated using an electrophysiological bioassay with the use of a voltage clamp on ion channels in order to find if the neurotoxic effects of the spider venom could be linked to a particular molecular target. The findings show that U24-ctenitoxin-Pn1a involves the inhibition of the insect sodium (Nav) channels, BgNav and DmNav. This study provides an overview of the molecular diversity of L. geometricus venom, which can be used as a reference for the venom of other spider species. The venom composition profile also increases our knowledge for the development of novel insecticides targeting voltage-gated sodium channels.
Zinc-Chelating Compounds as Inhibitors of Human and Bacterial Zinc Metalloproteases
Authors: Rahman Fatema , Wushur Imin , Malla Nabin , Åstrand Ove Alexander Høgmoen , Rongved Pål , Winberg Jan-Olof , Sylte Ingebrigt
Published: December 2021

Inhibition of bacterial virulence is believed to be a new treatment option for bacterial infections. In the present study, we tested dipicolylamine (DPA), tripicolylamine (TPA), tris pyridine ethylene diamine (TPED), pyridine and thiophene derivatives as putative inhibitors of the bacterial virulence factors thermolysin (TLN), pseudolysin (PLN) and aureolysin (ALN) and the human zinc metalloproteases, matrix metalloprotease-9 (MMP-9) and matrix metalloprotease-14 (MMP-14). These compounds have nitrogen or sulfur as putative donor atoms for zinc chelation. In general, the compounds showed stronger inhibition of MMP-14 and PLN than of the other enzymes, with Ki values in the lower μM range. Except for DPA, none of the compounds showed significantly stronger inhibition of the virulence factors than of the human zinc metalloproteases. TPA and Zn230 were the only compounds that inhibited all five zinc metalloproteinases with a Ki value in the lower μM range. The thiophene compounds gave weak or no inhibition. Docking indicated that some of the compounds coordinated zinc by one oxygen atom from a hydroxyl or carbonyl group, or by oxygen atoms both from a hydroxyl group and a carbonyl group, and not by pyridine nitrogen as in DPA and TPA.
Unravelling Morphological and Topological Energy Contributions of Metal Nanoparticles
Authors: Vega Lorena , Viñes Francesc , Neyman Konstantin M.
Published: December 2021

Metal nanoparticles (NPs) are ubiquitous in many fields, from nanotechnology to heterogeneous catalysis, with properties differing from those of single-crystal surfaces and bulks. A key aspect is the size-dependent evolution of NP properties toward the bulk limit, including the adoption of different NP shapes, which may bias the NP stability based on the NP size. Herein, the stability of different Pdn NPs (n = 10–1504 atoms) considering a myriad of shapes is investigated by first-principles energy optimisation, leading to the determination that icosahedron shapes are the most stable up to a size of ca. 4 nm. In NPs larger than that size, truncated octahedron shapes become more stable, yet a presence of larger {001} facets than the Wulff construction is forecasted due to their increased stability, compared with (001) single-crystal surfaces, and the lower stability of {111} facets, compared with (111) single-crystal surfaces. The NP cohesive energy breakdown in terms of coordination numbers is found to be an excellent quantitative tool of the stability assessment, with mean absolute errors of solely 0.01 eV·atom−1, while a geometry breakdown allows only for a qualitative stability screening.
Functionalized Nanomaterials as Tailored Theranostic Agents in Brain Imaging
Authors: Thangam Ramar , Paulmurugan Ramasamy , Kang Heemin
Published: December 2021

Functionalized nanomaterials of various categories are essential for developing cancer nano-theranostics for brain diseases; however, some limitations exist in their effectiveness and clinical translation, such as toxicity, limited tumor penetration, and inability to cross blood–brain and blood-tumor barriers. Metal nanomaterials with functional fluorescent tags possess unique properties in improving their functional properties, including surface plasmon resonance (SPR), superparamagnetism, and photo/bioluminescence, which facilitates imaging applications in addition to their deliveries. Moreover, these multifunctional nanomaterials could be synthesized through various chemical modifications on their physical surfaces via attaching targeting peptides, fluorophores, and quantum dots (QD), which could improve the application of these nanomaterials by facilitating theranostic modalities. In addition to their inherent CT (Computed Tomography), MRI (Magnetic Resonance Imaging), PAI (Photo-acoustic imaging), and X-ray contrast imaging, various multifunctional nanoparticles with imaging probes serve as brain-targeted imaging candidates in several imaging modalities. The primary criteria of these functional nanomaterials for translational application to the brain must be zero toxicity. Moreover, the beneficial aspects of nano-theranostics of nanoparticles are their multifunctional systems proportioned towards personalized disease management via comprising diagnostic and therapeutic abilities in a single biodegradable nanomaterial. This review highlights the emerging aspects of engineered nanomaterials to reach and deliver therapeutics to the brain and how to improve this by adopting the imaging modalities for theranostic applications.
Investigation of the Effects of Rapid Thermal Annealing on the Electron Transport Mechanism in Nitrogen-Doped ZnO Thin Films Grown by RF Magnetron Sputtering
Authors: Simeonov Simeon , Szekeres Anna , Spassov Dencho , Anastasescu Mihai , Stanculescu Ioana , Nicolescu Madalina , Aperathitis Elias , Modreanu Mircea , Gartner Mariuca
Published: December 2021

Nitrogen-doped ZnO (ZnO:N) thin films, deposited on Si(100) substrates by RF magnetron sputtering in a gas mixture of argon, oxygen, and nitrogen at different ratios followed by Rapid Thermal Annealing (RTA) at 400 °C and 550 °C, were studied in the present work. Raman and photoluminescence spectroscopic analyses showed that introduction of N into the ZnO matrix generated defects related to oxygen and zinc vacancies and interstitials. These defects were deep levels which contributed to the electron transport properties of the ZnO:N films, studied by analyzing the current–voltage characteristics of metal–insulator–semiconductor structures with ZnO:N films, measured at 298 and 77 K. At the appliedtechnological conditions of deposition and subsequent RTA at 400 °C n-type ZnO:N films were formed, while RTA at 550 °C transformed the n-ZnO:N films to p-ZnO:N ones. The charge transport in both types of ZnO:N films was carried out via deep levels in the ZnO energy gap. The density of the deep levels was in the order of 1019 cm−3. In the temperature range of 77–298 K, the electron transport mechanism in the ZnO:N films was predominantly intertrap tunneling, but thermally activated hopping also took place.
Interfacing MXene Flakes on a Magnetic Fiber Network as a Stretchable, Flexible, Electromagnetic Shielding Fabric
Authors: Miao Zhen , Chen Xiaohong , Zhou Honglei , Liu Ping , Fu Shaoli , Yang Jiajie , Gao Yuhang , Ren Yupeng , Rong Dong
Published: December 2021

A unique self-standing membrane composed of hierarchical thermoplastic polyurethane (TPU)/polyacrylonitrile (PAN) fibers is prepared by the electrospinning technique, followed by a simple dip-coating process. Fe3O4 nanoparticles are uniformly anchored on TPU/PAN fibers during the electrospinning process, enabling the membrane to achieve effective electromagnetic interference shielding (EMI SE) performance. Such a hybrid membrane has a high magnetization of 18.9 emu/g. When MXene (Ti3C2Tx) layers are further loaded on the TPU/PAN/Fe3O4NPs hybrid membrane, its EMI SE performance in the X band can exceed 30 dB due to the hydrogen bonds generated between the macromolecular chain of PAN and the functional group (Tx) on the surface of MXene. Simultaneously, the interfacial attraction between MXene and the TPU/PAN/Fe3O4NPs substrate is enhanced. The EMI SE mechanism of the hybrid membrane indicates that this film has great potential in the fields of wearable devices and flexible materials.
Nanostructured Materials for Solar Cell Applications
Authors: Tanabe Katsuaki
Published: December 2021

The use of nanomaterials in technologies for photovoltaic applications continues to represent an important area of research [...]