bluuebunny/crossref_metadata_2025 huggingface dataset:
Accelerated Bioconversion of Chemically Solubilized Lignite Solution to Methane by Methanogenic Consortium: Experimental Results and Their Application to the Subsurface Cultivation and Gasification Method
Authors: Ueno Akio , Tamazawa Satoshi , Tamamura Shuji , Murakami Takuma , Kiyama Tamotsu , Inomata Hidenori , Aramaki Noritaka , Yoshida Kunihiko , Yamaguchi Shinji , Aoyama Hideo , Naganuma Takeshi , Igarashi Toshifumi
Published: October 2022

Lignite is an obsolete and less commercially circulated natural resource due to its low calorific value worldwide. The effective conversion of lignite into methane is important considering the global energy crunch. This study reported the effective bioconversion of organic matter released from chemically solubilized lignite to methane using two methanogenic consortia types: mixed methanogenic enrichment culture (mMEC) and SAL25-2. We demonstrated in a microcosm study that the start of methane generation was observed within seven days. Furthermore, the methane yield increased as the total organic carbon concentration of the chemically solubilized lignite solution increased. Surprisingly, methane production using mMEC was drastically enhanced by approximately 50–fold when pulverized lignite was added as conductive material (CM) to the microcosms. To the best of our knowledge, this is the highest number of times methane production increased relative to the control. Our results demonstrated that bioaugmentation using a methanogenic consortium and adding pulverized lignite as CM could facilitate the bioconversion of chemically solubilized lignite solution to methane and lead to effective utilization of subterranean lignite, regarded as a neglected natural resource, without any further excavation processes.
Maize Growth Promotion by Inoculation with an Engineered Ammonium-Excreting Strain of Nitrogen-Fixing Pseudomonasstutzeri
Authors: Jiang Shanshan , Li Jiang , Wang Qingyu , Yin Changyan , Zhan Yuhua , Yan Yongliang , Lin Min , Ke Xiubin
Published: October 2022

Diazotroph mutants designed using metabolic engineering to excrete surplus ammonium were used to enhance nitrogen fixation and plant growth, as the levels of nitrogen fixation attained with diazotrophs are insufficient for the plant’s needs. In this study, wild-type (A1501) and engineered ammonium-excreting (1568/pVA3) strains of nitrogen-fixing Pseudomonas stutzeri strains were tested in vitro based on plant growth-promoting traits, such as phosphate solubilization ability, indole acetic acid (IAA) production and nitrogenase activities, as well as ammonium excretion as affected by mannitol-mediated osmotic stress. The maize plant growth-promoting effect of the A1501 and 1568/pVA3 strains was evaluated in pots and in the field, and the 15N-dilution technique was employed to assess the proportion of plant nitrogen derived from nitrogen fixation. The results demonstrate that the 1568/pVA3 strain displayed higher IAA production and nitrogenase activity than A1501 and released significant quantities of ammonium. After 50 days, in all of the conditions assayed, maize inoculated with 1568/pVA3 accumulated more plant biomass (3.3% on average) and fixed N (39.4% on average) than plants inoculated with A1501. In the field experiment, the grain yield of maize was enhanced by 5.6% or 5.9% due to the inoculation of seeds with 1568/pVA3 in the absence or presence of exogenous N fertilizer, respectively. Therefore, the engineered P. stutzeri strain tested in the greenhouse and field was shown to perform better than the wild-type strain with respect to maize growth parameters and biologically fixed nitrogen.
Comment on Chandler et al. 23-Valent Pneumococcal Polysaccharide Vaccination Does Not Prevent Community-Acquired Pneumonia Hospitalizations Due to Vaccine-Type Streptococcus pneumoniae. Microorganisms 2022, 10, 560
Authors: Cossrow Nicole , Joshi Rennie , Klinker Kenneth , Buchwald Ulrike K.
Published: October 2022

The 23-valent pneumococcal polysaccharide vaccine (PPSV23) targets 23 common serotypes and is recommended for use in adults in various countries to protect against pneumococcal infection. Test-negative design (TND) studies aim to include cases and controls from the same healthcare facilities; however, design choices or limitations associated with conducting real-world research can affect the study results. Here, we highlight how some methodological limitations may have affected results and conclusions of a published study described by Chandler et al.
Red, Gold and Green: Microbial Contribution of Rhodophyta and Other Algae to Green Turtle (Chelonia mydas) Gut Microbiome
Authors: Díaz-Abad Lucía , Bacco-Mannina Natassia , Miguel Madeira Fernando , Serrao Ester A. , Regalla Aissa , Patrício Ana R. , Frade Pedro R.
Published: October 2022

The fitness of the endangered green sea turtle (Chelonia mydas) may be strongly affected by its gut microbiome, as microbes play important roles in host nutrition and health. This study aimed at establishing environmental microbial baselines that can be used to assess turtle health under altered future conditions. We characterized the microbiome associated with the gastrointestinal tract of green turtles from Guinea Bissau in different life stages and associated with their food items, using 16S rRNA metabarcoding. We found that the most abundant (% relative abundance) bacterial phyla across the gastrointestinal sections were Proteobacteria (68.1 ± 13.9% “amplicon sequence variants”, ASVs), Bacteroidetes (15.1 ± 10.1%) and Firmicutes (14.7 ± 21.7%). Additionally, we found the presence of two red algae bacterial indicator ASVs (the Alphaproteobacteria Brucella pinnipedialis with 75 ± 0% and a Gammaproteobacteria identified as methanotrophic endosymbiont of Bathymodiolus, with <1%) in cloacal compartments, along with six bacterial ASVs shared only between cloacal and local environmental red algae samples. We corroborate previous results demonstrating that green turtles fed on red algae (but, to a lower extent, also seagrass and brown algae), thus, acquiring microbial components that potentially aid them digest these food items. This study is a foundation for better understanding the microbial composition of sea turtle digestive tracts.
Characterization of the Asian Citrus Psyllid-‘Candidatus Liberibacter Asiaticus’ Pathosystem in Saudi Arabia Reveals Two Predominant CLas Lineages and One Asian Citrus Psyllid Vector Haplotype
Authors: Ibrahim Yasser E. , Paredes-Montero Jorge R. , Al-Saleh Mohammed A. , Widyawan Arya , He Ruifeng , El Komy Mahmoud H. , Al Dhafer Hathal M. , Kitchen Noel , Gang David R. , Brown Judith K.
Published: October 2022

In Saudi Arabia (SA), the citrus greening disease is caused by ‘Candidatus Liberibacter asiaticus’ (CLas) transmitted by the Asian citrus psyllid (ACP) Diaphorina citri. The origin and route(s) of the ACP-CLas pathosystem invasion in SA have not been studied. Adult ACP were collected from citrus trees in SA and differentiated by analysis of the mitochondrial cytochrome oxidase I (mtCOI) and nuclear copper transporting protein (atox1) genes. A phylogenetic analysis of the Wolbachia spp. surface protein (wsp) gene was used to identify the ACP-associated Wolbachia spp. A phylogenetic analysis of the atox1 and mtCOI gene sequences revealed one predominant ACP haplotype most closely related to the Indian subcontinent founder populations. The detection and identification of CLas in citrus trees were carried out by polymerase chain reaction (PCR) amplification and sequencing of the 16S rDNA gene. The CLas-integrated prophage genomes were sequenced, annotated, and used to differentiate CLas populations. The ML and ASTRAL trees reconstructed with prophages type 1 and 2 genome sequences, separately and concatenated, resolved two major lineages, CLas-1 and -2. The CLas-1 clade, reported here for the first time, consisted of isolates from SA isolates and Pakistan. The CLas-2 sequences formed two groups, CLas-2-1 and -2-2, previously the ‘Asiatic’ and ‘Floridian’ strains, respectively. Members of CLas-2-1 originated from Southeast Asia, the USA, and other worldwide locations, while CLas-2-2 was identified only in Florida. This study provides the first snapshot into the status of the ACP-CLas pathosystem in SA. In addition, the results provide new insights into the pathosystem coevolution and global invasion histories of two ACP-CLas lineages with a predicted center of origin in South and Southeast Asia, respectively.
Opening Space for Plastics—Why Spatial, Soil and Land Use Data Are Important to Understand Global Soil (Micro)Plastic Pollution
Authors: Weber Collin J. , Bigalke Moritz
Published: October 2022

After five years of research on microplastic pollution of soils it becomes obvious that soil systems act as a reservoir for microplastics on global scales. Nevertheless, the exact role of soils within global microplastic cycles, plastic fluxes within soils and environmental consequences are so far only partly understood. Against the background of a global environmental plastic pollution, the spatial reference, spatial levels, sampling approaches and documentation practices of soil context data becomes important. Within this review, we therefore evaluate the availability of spatial MP soil data on a global scale through the application of a questionnaire applied to 35 case studies on microplastics in soils published since 2016. We found that the global database on microplastics in soils is mainly limited to agricultural used topsoils in Central Europe and China. Data on major global areas and soil regions are missing, leading to a limited understanding of soils plastic pollution. Furthermore, we found that open data handling, geospatial data and documentation of basic soil information are underrepresented, which hinders further understanding of global plastic fluxes in soils. Out of this context, we give recommendations for spatial reference and soil context data collection, access and combination with soil microplastic data, to work towards a global and free soil microplastic data hub.
Geochemistry and Petrogenesis of the Wadhrai Granite Stock of the Malani Igneous Suite in Nagar Parkar Area, SE Pakistan
Authors: Jan M. Qasim , Agheem M. Hassan , Khan Tahseenullah , Rehman Hafiz U. , Markhand Akhtar Hussain
Published: October 2022

The Wadhrai granite stock is a part of the Nagar Parkar Igneous Complex, an extension of the Neoproterozoic Malani Igneous Suite of western Rajasthan. It is occupied by a petrographically uniform granite comprising perthite, plagioclase, quartz, with small quantities of biotite, opaque oxides, titanite, and secondary minerals. The rocks are sparingly porphyritic and contain dykes of microgranite, aplite, and rare pegmatite. In the south-central part, parallel sheets and swarms of mafic dykes, and in the western part very fine-grained felsic sheets intrude the body. The granite is metaluminous to peraluminous and characterized by high silica (73–76 wt%), and alkalis (7–9 wt%), and low CaO (0.15–1.4 wt%), MgO (0.15–0.38 wt%), Th (7–12 ppm), and U (1–2 ppm). On geochemical discriminant diagrams, it classifies mostly as A-type (with rather high Y/Nb (8.6 to 2.4, average 5.2) and low Nb/Ga and Ce (typical of A2-type), but sparingly as I-type. Chondrite-normalized patterns show enrichment in LREE over HREE, and small negative Eu anomalies, whereas mantle-normalized spidergrams display higher LILE over HFSE, distinct troughs for Nb, Sr, P, Ti, and spikes for La, Ce, Nd, Sm and Tb. The granite magma was possibly derived from a tonalite-granodiorite-dominated crustal source. Based on the above-mentioned geochemical evidence, it is interpreted that the source rocks of the magma of the Wadhrai granite likely developed initially in a continental margin subduction setting and underwent partial melting in a continental extensional environment.
Field Observations and Geophysical Research Applied to the Detection of Manganese (Mn) Deposits in the Eastern Part of Oban Massif, South-Eastern Nigeria: An Integrated Approach
Authors: Okon Emmanuel E. , Kudamnya Ebenezer A. , Oyeyemi Kehinde D. , Omang Benjamin O. , Ojo Omotayo , Metwaly Mohamed
Published: October 2022

The growing need for an industrialized world, especially in Africa, cannot be feasible without adequate mineral resources. Thus, the search for more mineral deposits will continue to be necessary. An integrated approach involving geological mapping and a high-resolution geophysical (aeromagnetic) investigation was conducted to assess the manganese mineralization in parts of the Oban Massif, southeast Nigeria. The aeromagnetic data were processed using regional-residual anomaly separation techniques, first vertical derivative (1VD), analytical signals, source parameters imaging (SPI), and Euler deconvolution to better understand magnetic source distributions and their depths of occurrence. The geological investigation revealed a dominant variety of metamorphic rock types, including migmatitic (banded) gneisses hornblende granite gneisses, amphibolites, charnockites, and some quartzite ridges. Also present are some indications of pockets of dolerites. The study area also observed epithermal Mn+Fe+Qtz vein type mineralization associated with hydrothermal alteration zones whose orientation coincides with dominant structural orientation from aeromagnetic interpretation. Analysis of aeromagnetic data shows that the study area is dominated by ENE, NNE, and E-W structural directions (near-surface basement structures), with the ENE trends related to mineralization in the area. The manganese mineralization within Oban Massif is structurally controlled. The depths of the magnetic anomalies in the study area were estimated using SPI and Euler decomposition algorithms. SPI delineated the shallow, intermediate, and deep magnetic anomalies at 84–142 m, 152–200 m, and 215–656 m, respectively. Euler decomposition, however, revealed that shallow, intermediate, and deep depths occurrence of the magnetic anomalies are at 200–377 m, 393–472 m, and 499–793 m, respectively.
Dry Permanent Magnetic Separator: Present Status and Future Prospects
Authors: Xie Shunping , Hu Zhicheng , Lu Dongfang , Zhao Yan
Published: October 2022

Dry permanent magnetic separators have been widely used in the mineral and coal processing industries due to their simple operation and high separation efficiency. These tools not only discard some amount of bulk gangue from the raw ore, thereby reducing the volume of the grinding operation and cutting energy consumption, but also do not require water in the sorting process, thereby expanding their applicability to arid and cold areas. With the depletion of global iron ore resources, a dry, low-cost processing or pre-sorting prior to the wet separation has received the attention of industrial practitioners as a potential alternative. The performance of dry magnetic separators plays a critical role in dry processing This paper reviews the dry magnetic separators available in the literature and describes their operating principles, separation performance, and applications. A detailed comparison of different separators is also conducted to evaluate the differences in their sorting performance and mechanisms and to provide a reference for the optimization of dry magnetic separators.
Porosity, Mineralogy, Strength, and Reducibility of Sinter Analogues from the Fe2O3 (Fe3O4)-CaO-SiO2 (FCS) Ternary System
Authors: Ignácio Isis R. , Brooks Geoffrey , Pownceby Mark I. , Rhamdhani M. Akbar , Rankin Willian John , Webster Nathan A. S.
Published: October 2022

The presence of Ca-ferrite and silico-ferrite-of-calcium-and-aluminium (SFCA) bonding phases is thought to be crucial to maintain sinter quality due to their high reducibility and strength levels. However, new evidence suggests that porosity might be an equally important factor controlling reducibility, in addition to mineralogy. This work aims to fundamentally understand the development of porosity in simple sinter analogues from the Fe2O3-(Fe3O4)-CaO-SiO2 (FCS) ternary system (with no SFCA), and to connect results back to overall sinter mineralogy, strength, and reducibility properties. Laboratory-scale experiments were conducted to simulate the sintering process by firing tablets of magnetite, hematite, lime and silica mixtures under tightly controlled temperature, holding time and atmosphere conditions. Mineralogy of the fired samples was observed using microscopy techniques, porosity was measured by Mercury Intrusion Porosimetry (MIP), strength was determined using laboratory-scale tumble index equipment and reducibility was measured by the weight loss obtained after reaction of the tablets in a reducing atmosphere of CO/N2. The results confirmed that reducibility is strongly influenced by porosity, and highly reducible sinters can be produced without forming SFCA-like phases. Magnetite-containing samples had similar reducibility to hematite-containing samples, suggesting that magnetite-based sinters could potentially be used in the blast furnace.
Structural Diagenesis in Clay Smearing Bands Developed on Plio-Pleistocene Sediments Affected by the Baza Fault (S Spain)
Authors: Jiménez-Millán Juan , Abad Isabel , García-Tortosa Francisco Juan , Jiménez-Espinosa Rosario
Published: October 2022

This study reveals mineral and deformation processes associated with faulting of lacustrine unconsolidated sediments in the Guadix-Baza Basin (Betic Cordillera, S Spain) affected by the Baza Fault. Brittle carbonate and silt sediments develop deformation bands frequently sealed by dolomite crystallization, whereas ductile clay-rich sediments form clay smearing bands where late crystallization of gypsum can be observed. Granular flow and local cataclasis were the main deformation mechanisms in the brittle deformation bands. Flow alignment, grain-boundary sliding, and extrusion were predominant in the clay smearing bands. These water and clay-rich bands reduced shear strength of the faulting process due to their lubricating effect. Beidellitic smectite defines shear foliation of the smeared bands, but Mg-Fe, a K-rich smectite (Fe + Mg > 1 and K content up to 0.8 a.p.f.u), crystallizes in the micropores surrounding brittle clasts produced by deformation pressure shadows. These data suggest that the interaction of micromechanical events, which increased sediment porosity by the generation of pressure shadows, and the flow and concentration of saline fluids in these pores promoted structural diagenesis processes that favoured the beginning of local illitization.
Iron in Nepheline: Crystal Chemical Features and Petrological Applications
Authors: Mikhailova Julia A. , Aksenov Sergey M. , Pakhomovsky Yakov A. , Moine Bertrand N. , Dusséaux Camille , Vaitieva Yulia A. , Voronin Mikhail
Published: October 2022

Nepheline is a nominally anhydrous aluminosilicate that typically contains an impurity of ferric iron replacing aluminum in tetrahedral sites. However, previous researchers noted the constant presence of ferrous iron in the chemical composition of nepheline from the rocks of the Khibiny and Lovozero massifs (Kola Peninsula, Russia). We have carried out microprobe, spectroscopic, chemical and crystal chemical studies of nepheline from the Lovozero massif. We have established the presence of molecular water in nepheline, and also that the incorporation of ferrous iron into nepheline crystal structure is associated with the simultaneous increasing of the coordination number from four to five (or six) due to the inclusion of the ‘additional’ water molecules that form point [FeO4(H2O)n]-defects (where n = 1, 2) in the tetrahedral framework. The nepheline iron content is closely related to the presence of small needle-like aegirine inclusions. The total iron content in nepheline saturated with aegirine needles is approximately an order of magnitude lower than in nepheline free from aegirine inclusions. Most likely the aegirine inclusions in nepheline are formed as a result of the decomposition of the nepheline–“iron nepheline” solid solution. We propose that this process is triggered by the oxidation of ferrous iron in the crystal structure of nepheline.
The Use of Acid Mine Drainage (AMD) in the Flotation of a Platinum-Group-Minerals-Bearing Merensky Ore
Authors: Taguta Jestos , Peku Zandile , Sehlotho Nthapo , Corin Kirsten
Published: October 2022

Water scarcity is compelling mining houses to not only recycle process water but to also identify alternative sources of make-up water in concentrators. South Africa has significant volumes of acid mine drainage (AMD) generated from vast mining operations. This study investigated the viability of using AMD as a replacement for potable water in the flotation of a platinum-group-minerals (PGM)-bearing Merensky ore. Rougher and cleaner flotation testwork was conducted at laboratory scale to compare the performances of potable water (baseline water), AMD treated with Ca(OH)2, and AMD treated with the Veolia process. Water analysis showed that the three water types differed in pH, water hardness, conductivity, and total dissolved solids. The results showed the AMD treated with Ca(OH)2 was detrimental to PGM recovery compared to potable water at depressant dosages of 50 g/t. Specifically, AMD treated with Ca(OH)2 achieved a PGM rougher recovery of 67.8%, while potable water achieved a PGM rougher recovery of 88.4%. Depressant dosage optimisation and treatment of the AMD using the Veolia process were investigated as potential strategies to mitigate the detrimental effects of the AMD treated with Ca(OH)2 on the flotation performance of a Merensky ore. The AMD treated with the Veolia process achieved a PGM rougher recovery of 70.8%. Thus, treatment of the AMD was beneficial, though the PGM and base metal sulphides (BMS) recoveries were still lower than those achieved in potable water. Reducing the depressant dosage to 25 g/t in AMD treated with Ca(OH)2 resulted in the highest PGM, Cu, and Ni rougher recoveries of 91%, 60.2%, and 58%, respectively. The AMD treated with Ca(OH)2 at lower depressant dosage outperformed the potable water in terms of PGM and BMS recoveries and concentrate grades, indicating that AMD has the potential to replace potable water as make-up water in Merensky ore processing plants. The results showed that depressant optimisation is important to achieve superior metallurgical results when using AMD treated with Ca(OH)2. The use of AMD in Merensky ore processing plants not only conserves freshwater in minerals processing plants but also reduces high volumes of contaminated effluents.
Estimating Magma Crystallization Temperatures Using High Field Strength Elements in Igneous Rocks
Authors: Daneshvar Narges , Azizi Hossein , Tsuboi Motohiro
Published: October 2022

Indirect calculation of magma crystallization temperatures is an important subject for geologists to know the petrogenesis of igneous rocks. During magma evolution from generation to crystallization, several processes control the behavior of elements. In this research, we obtained two new methods for the thermometry of magma by using high field strength elements (HFSEs; Zr, Hf, Ce, Y, and Ti) abundances in igneous rocks. The first was T(K) = −15,993/(lnCZr + lnCHf − 21.668), where CZr and CHf are the bulk-rock Zr and Hf contents in ppm, and T is the temperature in Kelvin. This equation was specially formulated to address metaluminous to peraluminous rocks with M < 2 [(Na + K + 2Ca)/(Al × Si)] (cation ratio) and SiO2 > 63 wt.%. The second was T(K) = −20,914/(ln(CHf + CY + CCe) + (ln(CZr/TiO2) − 31.153). CHf, CY, and CCe, and CZr are Hf, Y, Ce, and Zr contents (ppm) in the whole rocks. The second equation is more suitable for peralkaline to alkaline rocks with M > 2 and a wide range of SiO2. Both equations are applicable for temperatures from 750 °C to 1400 °C. These two equations are simple and robust thermometry methods and predict similar values in the range of TZr thermometry, which has previously been suggested for magma crystallization temperature.
Chemical and Mineralogical Characterization of Montevive Celestine Mineral
Authors: Ariza-Rodríguez Noemi , Rodríguez-Navarro Alejandro B. , Calero de Hoces Mónica , Martin Jose Manuel , Muñoz-Batista Mario J.
Published: October 2022

The Montevive celestine mineral deposit, set in the Granada Basin in a marine evaporitic uppermost Tortonian–lowermost Messinian sequence, is the largest reserve in Europe of this economically important strontium ore. Currently, the mine has a large amount of tailings resulting from the rejection of a manual dry screening of high-grade celestine mineral. This visual and density screening was carried out in the early days of mining (1954–1973). Concentrating the celestine mineral and increasing the ore recovery rate would reduce mine operation costs and the generation of new tailings, reducing the impact on the environment. In order to define more adequate concentration methods, we have used complementary analytical techniques such as optical (OM) and scanning and transmission electron microscopy (SEM and TEM), energy-dispersive X-rays (EDXs), X-ray fluorescence (XRF), and X-ray diffraction (XRD) to fully characterize the morphology, microstructure, chemistry, and mineralogy of the celestine mineral. The low-grade mineral is made of prismatic celestine crystals that are replacing a matrix of micro sparry calcite. Other minority minerals are strontianite, dolomite, quartz, and clays (kaolinite, paragonite, and illite). There is also a certain amount of iron oxides and hydroxides (mainly magnetite) associated with clays. We showed that the concentration of low-grade celestine mineral can be achieved through a low-cost and eco-friendly method based on grinding and size separation. The coarser fractions (>5 mm) have more celestine (up to 12 percent units higher than the starting unprocessed mineral) due to the selective loss of calcite and minority minerals (quartz, clays, and iron oxides) that are mainly found in the finer fraction (<1 mm). This process can make mine exploitation more sustainable, reducing the generation of residues that negatively impact the environment.
Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O
Authors: Gorelova Liudmila A. , Vereshchagin Oleg S. , Bocharov Vladimir N. , Pankin Dmitrii V. , Đorđević Tamara
Published: October 2022

The high-temperature (HT) behavior of BaAs2Zn2O8∙H2O was studied by in situ single-crystal X-ray diffraction (SCXRD) and hot stage Raman spectroscopy (HTRS) up to dehydration and the associated phase transition. During heating, the studied compound undergoes the dehydration process with the formation of BaAs2Zn2O8, which is stable up to at least 525 °C. The evolution of the fourteen main Raman bands was traced during heating. The abrupt shift of all Raman bands in the 70–1100 cm−1 spectral region was detected at 150 °C, whereas in the spectral region 3000–3600 cm−1 all the bands disappeared, which confirms the dehydration process of BaAs2Zn2O8∙H2O. The transition from BaAs2Zn2O8∙H2O to BaAs2Zn2O8 is accompanied by symmetry increasing from P21 to P21/c with the preservation of the framework topology. Depending on the research method, the temperature of the phase transition is 150 °C (HTRS) or 300 °C (HT SCXRD). According to the HT SCXRD data, in the temperature range 25–300 °C the studied compound demonstrates anisotropic thermal expansion (αmax/αmin = 9.4), which is explained by flexible crankshaft chains of TO4 (T = As, Zn) tetrahedra. Additionally, we discussed some crystal-chemical aspects of minerals with both (ZnOn) and (AsOm) polyhedra (n = 4, 5, 6; m = 3, 4) as main structural units.
Evaluation of the Relationship between the Milling Breakage Parameters and Mineralogical Data: A Case Study of Three Copper Ores from a Multi-Mineralised Deposit
Authors: Nghipulile Titus , Moongo Thomas , Dzinomwa Godfrey , Nkwanyana Sandile , Mapani Benjamin , Kurasha Jaquiline
Published: October 2022

The study evaluated the milling kinetics of three copper ores, from a multi-mineralised deposit, which were identified as sulphide 1 (with bornite as a dominant copper mineral), sulphide 2 (mainly composed of chalcopyrite) and oxide (with malachite as a dominant copper mineral) and related the breakage parameters to the mineral composition data. Five mono-size fractions between 1000 µm and 212 µm were dry milled for short grinding times in the laboratory ball mill in order to obtain data for predicting breakage rate parameters. The analytical and mineralogical characterisation of the ores were performed using X-ray fluorescence (XRF) analysis, scanning electron microscopy energy dispersive spectroscopy (SEM-EDS) analysis, optical microscopy analysis and X-ray diffractometer (XRD). The mineralogy data showed that quartz was the abundant gangue mineral (average for each ore was above 60% (w/w)), followed by K-feldspar minerals (orthoclase and microcline) which constituted between 4% (w/w) and 6% (w/w) and the remainder are the minor calcite and dolomite minerals which are also in the host rock. The experimental milling kinetics parameters and mineralogical data were used to assess the robustness of the heterogeneous (two-component) and homogeneous (single-component) first-order rate breakage models. The mineral composition data were used for setting up the predictions of breakage parameters in the two-component and single-component first-order breakage models. The experimental data fitted better on the two-component breakage model than the single-component breakage model. These results highlighted the influence of two groups of minerals (generally classed as valuable and gangue minerals). The breakage data showed that the selection function for the hard component (the gangue minerals) has a dominant contribution to the overall selection function of the ores, with SiA correlating fairly well with experimental Si. The parameter a in the Austin empirical breakage model was relatively similar (approximately 1) for all three ores, which confirms similar milling conditions to which the ores were subjected to. The data suggests that there is a relationship between breakage parameter α (material-specific parameter) in the Austin empirical breakage model and brittleness index βi (calculated from the mineralogical composition of the gangue phase). No clear trends could be deduced from the cumulative breakage distributions of the three ores. This highlights the complexity of developing relationships between the mineralogical composition data and breakage distributions of the ores which are extracted from the same deposit and with comparable gangue composition.
Origin and Geodynamic Mechanism of the Tibetan Demingding Porphyry Mo (Cu) Deposit from Oceanic Subduction to Continental Collision
Authors: Lu Yigan , Dong Kai , Zhou Hui , Li Zhuoyang
Published: October 2022

Demingding is a promising porphyry Mo-dominated deposit recently discovered in the eastern Gangdese metallogenic belt in Tibet, China. We present zircon U-Pb-Lu-Hf isotopic studies, as well as geochemical data of the late monzogranites and the prior rhyolites from the Demingding porphyry deposit to uncover their origin and geodynamic mechanism. Zircon U–Pb dating yielded precise crystallization ages of 17.3 ± 0.6 Ma (MSWD = 2.5) and 186.5 ± 3.0 Ma (MSWD = 2.0) for monzogranite and rhyolite, respectively. The monzogranite is characterized by high-K calc-alkaline, adakitic affinities, and positive zircon εHf(t) values (+0.9∼+5.6, avg.+3.1) with TDM2 (0.73–1.04 Ga), while the rhyolite has εHf(t) values of (+2.1∼+7.3, avg.+5.2) and TDM2 of (0.76–1.09 Ga) similar to the monzogranite. Our results suggest that the Demingding porphyry Mo (Cu) deposit is related to magma generated from the Neo-Tethyan oceanic subduction. The subsequent monzogranite porphyry was likely formed by the remelting of previously subduction-modified arc lithosphere, triggered by continental collision crustal thickening in Miocene. The lower positive εHf(t) values of monzogranites suggest minor inputs from the Mo-rich ancient crust, suggesting that Mo favors the silicate melt. Such magmatic events and special metallogenesis typify intracontinental processes and porphyry copper deposits, which are normally confined to oceanic subduction and Cu-dominated style, thereby making the continental setting and Mo-dominated style of Demingding exceptional and possibly unique.
Electrochemical Responses and Microbial Community Shift of Electroactive Biofilm to Acidity Stress in Microbial Fuel Cells
Authors: Jin Jing , Amanze Charles , Anaman Richmond , Zheng Xiaoya , Qiu Guanzhou , Zeng Weimin
Published: October 2022

Microbial community changes in response to acid stress in microbial fuel cells (MFCs) were studied. Acid mine drainage (AMD) wastewater is usually difficult to treat because of the high concentration of sulfate and heavy metals. MFCs, which have multiple functions based on the principle of synergistically treating organic and heavy metal wastewater while generating electrical energy, represent a promising direction for the development of new heavy metal wastewater treatment technologies. Maintaining a neutral or slightly alkaline wastewater pH in MFCs facilitates the growth of electricity-producing microorganisms in the anode chamber. Studies on the response of anode electroactive biofilms to acidic pH stress and its correlation with changes in AMD treatment capacity have not been reported. Results showed that the anolyte pH of 4.0 and 5.0 affected the electron output capacity of the electrogenic microbial community in the MFCs. In contrast, MFCs working at an anolyte pH of 6.0 exhibited a high efficiency of chemical energy conversion to electrical energy. The microbial abundance and microbial diversity of the electroactive biofilm were significantly affected by the H+ concentration in the medium when the ambient acidity was continuously reduced. The classic exoelectrogen Geobacter decreased gradually with the increase of H+ concentration in the medium. In addition, Cu2+ was recovered from the simulated AMD in the MFCs cathodic chambers at low anode pH, but the removal rate of Cu2+ decreased as the pH of the anode environment decreased. At 48 h, 86.2% of Cu2+ was removed from the MFCs cathode solution at pH 5.0, while the removal rate of Cu2+ from the MFCs cathode solution at pH 4.0 was 84.2%. Trace amounts of Cu2O and Cu3(OH)2[CO3]2 were present on the cathode, which reduced the amount of Cu2+ that precipitated on the cathode carbon cloth. Conversely, the concentration of Cu2+ in the catholyte of MFCs with electroactive biofilm at pH 6.0 decreased rapidly, and by 36 h, no detectable Cu2+ was present in the cathodic solution. This study will provide researchers with valuable information regarding the optimal pH for resource recovery with MFCs.
Numerical Simulation of Gas–Liquid Two-Phase Flow CFD–PBM Model in a Micro–Nanobubble Generator
Authors: Xu Weiguang , Li Wenjuan , Wang Jianwei , Song Yongsheng , Wu Biao , Wen Jiankang , Li Kaiguo , Li Bin
Published: October 2022

A micro–nanobubble generator is the most critical component of micro–nano flotation equipment. Understanding the bubble generation characteristics in the generator plays a vital role in optimizing the performance of the device and improving the flotation of fine-grained minerals. In this study, to explore the generation and evolution of bubbles in the micro–nanobubble generator of a cyclonic jet flotation cell, the flow field parameters of the gas–liquid two-phase flow inside the generator were solved using CFD–PBM combined with Luo’s population balance model. The internal bubble size was in the range of 0.99 μm to 140 μm. After the gas entered the generator from the suction pipe, it mainly moved in the center of the tube, and the diameter of the bubbles was relatively large at this time. With the bubble movement, large bubbles in the center were broken into small bubbles and then moved toward the periphery of the tube. Thereafter, the smaller-diameter bubbles gathered and formed large-diameter bubbles. The average diameter of the generated bubbles gradually increased from approximately 30 to 110 μm.
Cyanide Depression Mechanism for Sphalerite Flotation Separation Based on Density Functional Theory Calculations and Coordination Chemistry
Authors: Chen Hang , Tong Xiong , Xie Xian , Xie Ruiqi , Song Qiang , Cui Yiqi , Xiao Youming , Dai Pulin
Published: October 2022

In this paper, the adsorption of cyanide and its combination with zinc sulfate on the surface of sphalerite (110) was studied by density functional theory (DFT), and its configurational relationship was analyzed by coordination chemistry. The calculation results show that the adsorption configuration stability of CN− is stronger than that of Zn(CN)2; the chemical bond of Zn(OH)2 is less covalent. The three adsorption modes all make the surface of sphalerite lose more electrons, thereby weakening the reactivity of S and Zn atoms on the sphalerite surface. During the CN− adsorption process, both the 3d and 4p orbital peak energy levels of Zn decrease, indicating the strong inhibitory effect of CN−. Coordination chemistry also shows that CN− matches the Zn ion orbital in sphalerite and the π electron pair on the Zn ion can easily interact with the empty π orbital on CN− to form π-backbonding.
Derivation of Cyclic Stiffness and Strength Degradation Curves of Sands through Discrete Element Modelling
Authors: Maksimov Fedor , Tombari Alessandro
Published: October 2022

Cyclic degradation in fully saturated sands is a liquefaction phenomenon characterized by the progressive variation of the soil strength and stiffness that occurs when the soil is subjected to cyclic loading in undrained conditions. An evaluation of the relationships between the degradation of the soil properties and the number of loading cycles is essential for deriving advanced cyclic constitutive soil models. Generally, the calibration of cyclic damage models can be performed through controlled laboratory tests, such as cyclic triaxial testing. However, the undrained response of soils is dependent on several factors, such as the fabric, sample preparation, initial density, initial stress state, and stress path during loading; hence, a large number of tests would be required. On the other hand, the Discrete Element Method offers an interesting approach to simulating the complex behavior of an assembly of particles, which can be used to perform simulations of geotechnical laboratory testing. In this paper, numerical triaxial analyses of sands with different consistencies, loose and medium-dense states, were performed. First, static triaxial testing was performed to characterize the sand properties and validate the results with the literature data. Then, cyclic undrained triaxial testing was performed to investigate the impact of the number of cycles on the cyclic degradation of the soil stiffness and strength. Laws that can be used in damage soil models were derived.
Facile Synthesis of NiCo2O4 Nanowire Arrays/Few-Layered Ti3C2-MXene Composite as Binder-Free Electrode for High-Performance Supercapacitors
Authors: Li Yanhua , Wang Shuhuan , Ni Guolong , Li Qun
Published: October 2022

Herein, a 3D hierarchical structure is constructed by growing NiCo2O4 nanowires on few-layer Ti3C2 nanosheets using Ni foam (NF) as substrate via simple vacuum filtration and solvothermal treatment. Ti3C2 nanosheets are directly anchored on NF surface without binders or surfactants, and NiCo2O4 nanowires composed of about 15 nm nanoparticles uniformly grow on Ti3C2/NF skeleton, which can provide abundant active sites and ion diffusion pathways for enhancing electrochemical performance. Benefiting from the unique structure feature and the synergistic effects of active materials, NiCo2O4/Ti3C2 exhibits a high specific capacitance of 2468 F g−1 at a current density of 0.5 A g−1 and a good rate performance. Based on this, an asymmetric supercapacitor (ASC) based on NiCo2O4/Ti3C2 as positive electrode and activated carbon (AC)/NF as negative electrode is assembled. The ASC achieves a high specific capacitance of 253 F g−1 at 1 A g−1 along with 91.5% retention over 10,000 cycles at 15 A g−1. Furthermore, the ACS presents an outstanding energy density of 90 Wh kg−1 at the power density of 2880 W kg−1. This work provides promising guidance for the fabrication of binder-free, free-standing and hierarchical composites for energy storage application.
Adera2.0: A Drug Repurposing Workflow for Neuroimmunological Investigations Using Neural Networks
Authors: Lazarczyk Marzena , Duda Kamila , Mickael Michel Edwar , AK Onurhan , Paszkiewicz Justyna , Kowalczyk Agnieszka , Horbańczuk Jarosław Olav , Sacharczuk Mariusz
Published: October 2022

Drug repurposing in the context of neuroimmunological (NI) investigations is still in its primary stages. Drug repurposing is an important method that bypasses lengthy drug discovery procedures and focuses on discovering new usages for known medications. Neuroimmunological diseases, such as Alzheimer’s, Parkinson’s, multiple sclerosis, and depression, include various pathologies that result from the interaction between the central nervous system and the immune system. However, the repurposing of NI medications is hindered by the vast amount of information that needs mining. We previously presented Adera1.0, which was capable of text mining PubMed for answering query-based questions. However, Adera1.0 was not able to automatically identify chemical compounds within relevant sentences. To challenge the need for repurposing known medications for neuroimmunological diseases, we built a deep neural network named Adera2.0 to perform drug repurposing. The workflow uses three deep learning networks. The first network is an encoder and its main task is to embed text into matrices. The second network uses a mean squared error (MSE) loss function to predict answers in the form of embedded matrices. The third network, which constitutes the main novelty in our updated workflow, also uses a MSE loss function. Its main usage is to extract compound names from relevant sentences resulting from the previous network. To optimize the network function, we compared eight different designs. We found that a deep neural network consisting of an RNN neural network and a leaky ReLU could achieve 0.0001 loss and 67% sensitivity. Additionally, we validated Adera2.0’s ability to predict NI drug usage against the DRUG Repurposing Hub database. These results establish the ability of Adera2.0 to repurpose drug candidates that can shorten the development of the drug cycle. The workflow could be download online.
Effects of Environmental and Electric Perturbations on the pKa of Thioredoxin Cysteine 35: A Computational Study
Authors: D’Annibale Valeria , Fracassi Donatella , Marracino Paolo , D’Inzeo Guglielmo , D’Abramo Marco
Published: October 2022

Here we present a theoretical-computational study dealing with the evaluation of the pKa of the Cysteine residues in Thioredoxin (TRX) and in its complex with the Thioredoxin-interacting protein (TXNIP). The free energy differences between the anionic and neutral form of the Cysteine 32 and 35 have been evaluated by means of the Perturbed Matrix Method with classical perturbations due to both the environment and an exogenous electric field as provided by Molecular Dynamics (MD) simulations. The evaluation of the free energies allowed us to show that the effect of the perturbing terms is to lower the pKa of Cysteine 32 and Cysteine 35 with respect to the free amino-acid. On the other hand, in the complex TRX-TXNIP, our data show an enhanced stabilization of the neutral reduced form of Cys 35. These results suggest that external electric stimuli higher than 0.02 V/nm can modulate the Cysteine pKa, which can be connected to the tight regulation of the TRX acting as an antioxidant agent.
A Journey through Diastereomeric Space: The Design, Synthesis, In Vitro and In Vivo Pharmacological Activity, and Molecular Modeling of Novel Potent Diastereomeric MOR Agonists and Antagonists
Authors: Chambers Dana R. , Sulima Agnieszka , Luo Dan , Prisinzano Thomas E. , Goldberg Alexander , Xie Bing , Shi Lei , Paronis Carol A. , Bergman Jack , Nassehi Nima , Selley Dana E. , Imler Gregory H. , Jacobson Arthur E. , Rice Kenner C.
Published: October 2022

Four sets of diastereomeric C9-alkenyl 5-phenylmorphans, varying in the length of the C9-alkenyl chain, were designed to examine the effect of these spatially distinct ligands on opioid receptors. Functional activity was obtained by forskolin-induced cAMP accumulation assays and several compounds were examined in the [35S]GTPgS assay and in an assay for respiratory depression. In each of the four sets, similarities and differences were observed dependent on the length of their C9-alkenyl chain and, most importantly, their stereochemistry. Three MOR antagonists were found to be as or more potent than naltrexone and, unlike naltrexone, none had MOR, KOR, or DOR agonist activity. Several potent MOR full agonists were obtained, and, of particular interest partial agonists were found that exhibited less respiratory depression than that caused by morphine. The effect of stereochemistry and the length of the C9-alkenyl chain was also explored using molecular modeling. The MOR antagonists were found to interact with the inactive (4DKL) MOR crystal structures and agonists were found to interact with the active (6DDF) MOR crystal structures. The comparison of their binding modes at the mouse MOR was used to gain insight into the structural basis for their stereochemically induced pharmacological differences.
Synthesis of Novel Benzimidazole-Based Thiazole Derivatives as Multipotent Inhibitors of α-Amylase and α-Glucosidase: In Vitro Evaluation along with Molecular Docking Study
Authors: Hussain Rafaqat , Iqbal Shahid , Shah Mazloom , Rehman Wajid , Khan Shoaib , Rasheed Liaqat , Rahim Fazal , Dera Ayed A. , Kehili Sana , Elkaeed Eslam B. , Awwad Nasser S. , Bajaber Majed A. , Alahmdi Mohammed Issa , Alrbyawi Hamad , Alsaab Hashem O.
Published: October 2022

In this study, hybrid analogs of benzimidazole containing a thiazole moiety (1–17) were afforded and then tested for their ability to inhibit α-amylase and α-glucosidase when compared to acarbose as a standard drug. The recently available analogs showed a wide variety of inhibitory potentials that ranged between 1.31 ± 0.05 and 38.60 ± 0.70 µM (against α-amylase) and between 2.71 ± 0.10 and 42.31 ± 0.70 µM (against α-glucosidase) under the positive control of acarbose (IC50 = 10.30 ± 0.20 µM against α-amylase) (IC50 = 9.80 ± 0.20 µM against α-glucosidase). A structure–activity relationship (SAR) study was carried out for all analogs based on substitution patterns around both rings B and C respectively. It was concluded from the SAR study that analogs bearing either substituent(s) of smaller size (−F and Cl) or substituent(s) capable of forming hydrogen bonding (−OH) with the catalytic residues of targeted enzymes enhanced the inhibitory potentials. Therefore, analogs 2 (bearing meta-fluoro substitution), 3 (having para-fluoro substitution) and 4 (with ortho-fluoro group) showed enhanced potency when evaluated against standard acarbose drug with IC50 values of 4.10 ± 0.10, 1.30 ± 0.05 and 1.90 ± 0.10 (against α-amylase) and 5.60 ± 0.10, 2.70 ± 0.10 and 2.90 ± 0.10 µM (against α-glucosidase), correspondingly. On the other hand, analogs bearing substituent(s) of either a bulky nature (−Br) or that are incapable of forming hydrogen bonds (−CH3) were found to lower the inhibitory potentials. In order to investigate the binding sites for synthetic analogs and how they interact with the active areas of both targeted enzymes, molecular docking studies were also conducted on the potent analogs. The results showed that these analogs adopted many important interactions with the active areas of enzymes. The precise structure of the newly synthesized compounds was confirmed using several spectroscopic techniques as NMR and HREI-MS.