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  • As safety is one of the most important properties of drugs, chemical toxicology prediction has received increasing attentions in the drug discovery research. Traditionally, researchers rely on in vitro and in vivo experiments to test the toxicity of chemical compounds. However, not only are these experiments time consuming and costly, but experiments that involve animal testing are increasingly subject to ethical concerns. While traditional machine learning (ML) methods have been used in the field with some success, the limited availability of annotated toxicity data is the major hurdle for further improving model performance. Inspired by the success of semi-supervised learning (SSL) algorithms, we propose a Graph Convolution Neural Network (GCN) to predict chemical toxicity and trained the network by the Mean Teacher (MT) SSL algorithm. Using the Tox21 data, our optimal SSL-GCN models for predicting the twelve toxicological endpoints achieve an average ROC-AUC score of 0.757 in the test set, which is a 6% improvement over GCN models trained by supervised learning and conventional ML methods. Our SSL-GCN models also exhibit superior performance when compared to models constructed using the built-in DeepChem ML methods. This study demonstrates that SSL can increase the prediction power of models by learning from unannotated data. The optimal unannotated to annotated data ratio ranges between 1:1 and 4:1. This study demonstrates the success of SSL in chemical toxicity prediction; the same technique is expected to be beneficial to other chemical property prediction tasks by utilizing existing large chemical databases. Our optimal model SSL-GCN is hosted on an online server accessible through: https://app.cbbio.online/ssl-gcn/home.

  • Microbial and hydrothermal venting activities on the seafloor are important for the formation of sediment-hosted stratiform sulfide (SHSS) deposits. Fe isotopic compositions are sensitive to both microbial and hydrothermal activities and may be used to investigate the formation of these deposits. However, to the best of our knowledge, no Fe isotopic studies have been conducted on SHSS deposits. In the Devonian Dajiangping SHSS-type pyrite deposit (389 Ma), South China, laminated pyrite ores were precipitated from exhalative hydrothermal fluids, whereas black shales were deposited during intervals with no exhalation. Pyrite grains from black shales mostly display positive δ56Fe-py (0.01–0.73‰), higher than marine sediments (ca. 0‰), due to pyrite deriving Fe from basinal shuttled Fe(III) (hydr-)oxides and slowly crystallizing in pores of sediments with equilibrium fractionation, except for negative δ56Fe-py (−0.17‰ to −0.24‰) of two samples caused by mixing of Fe from underlain laminated ores. The positive δ34S-py (3.50–24.5‰) of black shales reflect that sulfur of pyrite originated from quantitative reduction of sulfate in closed pores of sediments. In contrast, pyrite grains of laminated ores have negative δ56Fe-py (−0.60‰ to −0.21‰), which were not only inherited from the negative δ56Fe of hydrothermal fluids but also caused by kinetic fractionation during rapid precipitation of a pyrite precursor (FeS) in hydrothermal plumes. These ores have negative δ34S-py (−28.7‰ to −1.82‰), because H2S for pyrite mineralization was produced by bacterial sulfate reduction (BSR) in a sulfate-rich seawater column or shallow sediments. The δ56Fe-py values of laminated ores co-vary positively with δ34S-py and δ13C-carbonate along the ore stratigraphy, with δ13C-carbonate values ranging from −12.0‰ to −2.50‰. However, they correlate negatively with aluminum-normalized total organic carbon (TOC/Al2O3). Organic carbon is thus considered to enhance the production of H2S by BSR activities, increase pyrite precipitation rates and promote the expression of kinetic fractionation of Fe isotopes. Intriguingly, in the ore units with vigorous hydrothermal venting activities, δ56Fe-py, δ34S-py and δ13C-carbonate values display a consistently increasing trend. Such results suggest that venting hydrothermal fluids significantly inhibited the H2S production of BSR, which then reduced the pyrite crystallization rate and decreased the kinetic fractionation of Fe isotopes. Our study reveals that the formation of SHSS deposits relies on H2S from microbial activities and metals from hydrothermal exhalation on the seafloor, but that vigorous exhalation can inhibit microbial activities and thus sulfide precipitation rates. The integrated use of Fe, S, and C isotopes can effectively elucidate these dynamic interactions between hydrothermal venting and microbial activities during the formation of SHSS deposits.

  • The occurrence of endocrine disrupting chemicals (EDCs) is a major issue for marine and coastal environments in the proximity of urban areas. The occurrence of EDCs in the Pearl River Delta region is well documented but specific data related to Macao is unavailable. The levels of bisphenol-A (BPA), estrone (E1), 17α-estradiol (αE2), 17β-estradiol (E2), estriol (E3), and 17α-ethynylestradiol (EE2) were measured in sediment samples collected along the coastline of Macao. BPA was found in all 45 collected samples with lower BPA concentrations associated to the presence of mangrove trees. Biodegradation assays were performed to evaluate the capacity of the microbial communities of the surveyed ecosystems to degrade BPA and its analogue BPS. Using sediments collected at a WWTP discharge point as inoculum, at a concentration of 2 mg l−1 complete removal of BPA was observed within 6 days, whereas for the same concentration BPS removal was of 95% after 10 days, which is particularly interesting since this compound is considered recalcitrant to biodegradation and likely to accumulate in the environment. Supplementation with BPA improved the degradation of bisphenol-S (BPS). Aiming at the isolation of EDCs-degrading bacteria, enrichments were established with sediments supplied with BPA, BPS, E2 and EE2, which led to the isolation of a bacterial strain, identified as Rhodoccoccus sp. ED55, able to degrade the four compounds at different extents. The isolated strain represents a valuable candidate for bioremediation of contaminated soils and waters.

  • The Dayingezhuang gold deposit in the Jiaodong district, eastern margin of the North China Craton is hosted in Mesozoic granitic rocks and consists of quartz-sulfide veins/veinlets and sulfide disseminations in alteration envelopes. Previous studies mainly focused on the geochronology, sources of ore-forming fluids and metals to investigate the ore genesis. However, enrichment mechanism of Au and other associated trace metals remain unclear. In this study, we present detailed textures and in-situ LA-ICP-MS trace-element compositions of different generations of pyrite, as well as EMP analysis of Au-bearing minerals to discuss the occurrence and enrichment mechanism of Au at this deposit. Three generations of pyrite (Py1, Py2 and Py3) formed during three hydrothermal ore stages (I, II, and III) at Dayingezhuang. Py1 occurs as disseminations in sericitic alteration assemblages and is characterized by low Au (mean 0.15 ppm), Ag, As and Te contents. The time-resolved depth-concentration profiles indicate that Au in Py1 mainly occurs as nanoparticles and/or micron-sized inclusions. Py2 can be further divided into the early undeformed Py2a and later Py2b, which is the product of deformed Py2a with different degrees of brittle to plastic deformation and recrystallization. Py2a in pyrite-siderite-quartz veins is relatively enriched in invisible Au (mean 0.41 ppm), Ag, As, and Te compared to Py1, and contains numerous micron-sized Au inclusions. In contrast, Py2b contains lesser invisible Au (0.21 ppm) and host abundant gold minerals along the grain boundaries and microfractures. Py3 in polymetallic sulfide veins has little Au. As a whole, Au in pyrite is positively correlated with Ag and Te, which is consistent with the results of EMP analysis showing the occurrence of Au as electrum, native gold and minor petzite in pyrite. Such evidences show that the deformation and recrystallization of auriferous Py2a potentially caused local remobilization of Au (mainly as micron-sized inclusion Au) via solid-state ductile flow and subsequent reconcentration of Au in microfractures of Py2b. The pyrite deformation and Au remobilization events were suggested to be related to the continuous reactivation of the regional Zhaoping Fault contemporaneous with gold mineralization. Our study highlights the importance of remobilization and reconcentration of Au triggered by syn-ore tectonic activities at Dayingezhuang and possibly other Au deposits in the Jiaodong district.

  • The role of hormones as modulators of aggressive behavior in fish remains poorly understood. Androgens and corticosteroids, in particular, have been associated with aggressive behavior in fish but it is still not clear if animals adjust the secretion of these hormones to regulate behavior during ongoing fights, in response to fight outcomes in order to adjust aggressive behavior in subsequent fights, or both. With its stereotyped displays and high aggression levels, the Siamese fighting fish Betta splendens is an excellent model to investigate this question. Here, we compared the behavioral and endocrine response of male B. splendens to fights where there is no winner or loser by presenting them with a size-matched live interacting conspecific behind a transparent partition or with a mirror image. The aggressive response started with threat displays that were overall similar in frequency and duration towards both types of stimuli. Fights transitioned to overt attacks and interacting with a live conspecific elicited a higher frequency of attempted bites and head hits, as compared with the mirror image. There was a pronounced increase in plasma androgens (11-ketotestosterone and testosterone) and corticosteroids (cortisol) levels in response to the aggression challenge, independent of stimulus type. Post-fight intra-group levels of these hormones did not correlate with measures of physical activity or aggressive behavior. A linear discriminant analysis including all behavioral and endocrine data was a poor classifier of fish from the conspecific and mirror trials, showing that overall the behavioral and endocrine response to mirror images and conspecifics was similar. The results show that fight resolution is not necessary to induce an evident increase in peripheral levels of androgens and corticosteroids in B. splendens. However, the function of these hormones during present and future aggressive contests remains to be clarified.

  • The Qiyugou gold deposit, located in the Xiong’ ershan area of the North China Craton, contains abundant bismuth-sulfosalts that are closely associated with gold mineralization. Pyrite is the dominant Au-hosted mineral, and has been formed in three generations (Py1, Py2, and Py3). Py1 grains, generally intergrown with milky quartz, are coarse (>1 mm), euhedral in shape, and Au-depleted in composition. In contrast, subhedral Py2 grains, associated with light gray quartz, are medium to coarse (0.2–3 mm) and are enriched in gold that is both invisible and visible. Py3 grains (0.1–0.5 mm), intergrown with abundant sulfide minerals, are relatively fine and Au-depleted. The time-resolved LA-ICP-MS depth profiles of the Py2 grains indicate that invisible gold occurs as either solid solution or nano-particles of native gold and electrum. Visible gold occurs as small blebs in the Py2 grains where inclusions of native bismuth, galenobismutite, lillianite homologs, tetradymite, and galena are also present. In addition, it is common that electrum in microfracture infillings or along grain boundaries of the Py1 and Py2, are intergrown with bismuthinite derivatives, Bi-Cu sulfosalts, emplectite, tetradymite, chalcopyrite, galena, and Py3. Based on textural relationships and mineral assemblages, calculation of physicochemical conditions show that gold was formed in conditions of fTe2 = ~10−11 and fS2 = ~10−11 to 10−12 for Py2, and fTe2 = ~10−9 to 10-11and fS2 = ~10−10 to 10−11 for Py3. We thus proposed that such physicochemical conditions may have triggered the precipitation of Bi melt, and sulfidation driven by cooling or increase in sulfur content results in the transformation of the Au-Bi liquid into a stable assemblage of native gold and bismuthinite. These bismuth minerals are associated with native gold/Au-bearing minerals, indicating that the Au mineralization of the Qiyugou gold deposit might be genetically associated with Bi melt. The present study highlights the role of Bi as important gold scavengers in arsenic-deficient ore-forming fluid.

  • Mangroves are a unique group of plants growing along tropical and sub-tropical coastlines, with the ability to remove several types of contaminants such as heavy metals and other persistent organic compounds in coastal waters. However, little attention has been given to the possible role of mangroves in the removal of organochlorinated pesticides (OCPs) from the environment. Used worldwide, these pesticides were banned in the late 80s, withal they can still be quantified in aquatic environments due to their high stability. Moreover, as persistent and lipophilic compounds, OCPs are known for their tendency to bioaccumulate and biomagnify through the food chain, affecting local ecosystems, and potentially human health. This work aimed to investigate the potential benefits of mangrove ecosystems as OCP phytoremediators. For this purpose, a total of seventy-three articles from non-mangrove and mangrove areas around the world were gathered, integrated and re-analysed as a whole. These data include information from four different matrices (water, sediment, benthic fauna and mangrove plants). A common trend of less pesticide contamination in mangrove areas was observed for all the selected matrices. As a complement, average concentrations were discussed considering International Directives, such as the European legislation 2013/39/EU for water policy and the Dutch List together with the International Sediment Quality Guideline, for sediments. Additionally, theoretical risk assessments were also included. Since information regarding OCPs in mangroves ecosystem is very scarce compared to non-mangrove areas, this review provides valuable insights regarding these environments, and the importance of preserving them as a relevant remediation unit.

  • Seafloor massive sulfide (SMS) deposits are important deep-sea mineral resources expected to occur predominantly on slow- and ultraslow-spreading mid-ocean ridges. Resource estimates are already available for some of the largest SMS deposits on slow-spreading ridges but not on ultraslow-spreading ridges. Based on geological mapping and sampling, this study investigates the distribution and content of sulfide-rich deposits in the Yuhuang-1 hydrothermal field (YHF), located on the ultraslow-spreading Southwest Indian Ridge. The sulfide-rich deposits in the YHF are composed of two areas ∼500 m apart: the southwest sulfide area (SWS) and the northeast sulfide area (NES). We calculated the volume of sulfide-rich mounds in the YHF and arrived at a total accumulation of ∼10.6 × 106 tons, including at least ∼7.5 × 105 tons of copper and zinc and ∼18 tons of gold. Furthermore, considering the coverage of layered hydrothermal sediment mixed with sulfide-rich breccias, which may have underlying massive sulfide deposits, the maximum total mass was estimated at ∼45.1 × 106 tons. This suggests that the YHF is one of the largest SMS deposits worldwide and confirm that ultraslow-spreading ridges have the greatest potential to form large-scale SMS deposits.

  • Noise pollution is increasingly present in aquatic ecosystems, causing detrimental effects on growth, physiology and behaviour of organisms. However, limited information exists on how this stressor affects animals in early ontogeny, a critical period for development and establishment of phenotypic traits. We tested the effects of chronic noise exposure to increasing levels (130 and 150 dB re 1 μPa, continuous white noise) and different temporal regimes on larval zebrafish (Danio rerio), an important vertebrate model in ecotoxicology. The acoustic treatments did not affect general development or hatching but higher noise levels led to increased mortality. The cardiac rate, yolk sac consumption and cortisol levels increased significantly with increasing noise level at both 3 and 5 dpf (days post fertilization). Variation in noise temporal patterns (different random noise periods to simulate shipping activity) suggested that the time regime is more important than the total duration of noise exposure to down-regulate physiological stress. Moreover, 5 dpf larvae exposed to 150 dB continuous noise displayed increased dark avoidance in anxiety-related dark/light preference test and impaired spontaneous alternation behaviour. We provide first evidence of noise-induced physiological stress and behavioural disturbance in larval zebrafish, showing that both noise amplitude and timing negatively impact key developmental endpoints in early ontogeny.

  • Abstract Much controversy has occurred in the past few decades regarding the nature of the sources, the petrogenetic processes, and the tectonic regime(s) of the Jurassic magmatism within the Southeast China magmatic belt. This study aims to contribute to the discussion with mineral chemistry, and whole-rock element and Sr-Nd-Hf-Pb isotopic geochemical data from granitic rocks and microgranular mafic enclaves from Macao, where two discrete groups of I-type biotite granites have been identified (referred to as Macao Group I [MGI] and Macao Group II [MGII]). It is proposed that the granitic magmas were generated by partial melting of infracrustal medium- to high-K, basaltic Paleoproterozoic to Mesoproterozoic protoliths (Nd depleted mantle model age [TDM2] = 1.7–1.6 Ga and Hf TDM2 = 1.8–1.6 Ga), triggered by underplating of hot mantle-derived magmas in an extensional setting related to the foundering of a previously flat slab (paleo–Pacific plate) beneath the SE China continent. The main differences between the two groups of Macao granites are attributed to assimilation and fractional crystallization processes, during which upper-crustal Paleozoic metasediments were variably assimilated by MGI magmas. This is evidenced by an increase in initial 87Sr/86Sr ratios with degree of evolution, presence of metasedimentary enclaves, and high percentage of zircon xenocrysts with Paleozoic ages. In addition, other processes like late-stage fluid/melt interaction and magma mixing also left some imprints on granite compositions (rare earth element tetrad effect plus non–charge-and-radius-controlled behavior of trace elements and decoupling between different isotope systems, respectively). The distribution of isotopically distinct granites in SE China reflects the nature of the two Cathaysia crustal blocks juxtaposed along the Zhenghe-Dapu fault.

  • The prevalence of microplastics in the environment has become a major global conservation issue. One primary source of environmental microplastics is personal care and cosmetic products (PCCPs) containing microbeads. The market availability of PCCPs containing microbeads and the level of contamination of coastal sediments by microplastics was studied in one of the most densely populated cities in the world, Macao in China. We found that PCCPs containing microbeads are still widely available for sale in the region, with over 70% of surveyed PCCPs containing at least one type of microbeads as an ingredient, with polyethylene (PE) being the most common one. In an estimate, the use of PCCPs in the territory may release over 37 billion microbeads per year into the environment via wastewater treatment plants. The density of microplastics in coastal sediments varied between 259 and 1,743 items/L of sediment, amongst the highest reported in the world. The fraction of < 1 mm was the most abundant, representing an average of 98.6% of the total, and correlated positively with the abundance of larger sized fragments. The results show that although environmental pollution with microplastics released from PCCPs usage is significant, other sources, namely fragmentation of larger plastic debris, likely contribute more to the issue. The study highlights the magnitude of the problem at a local level and suggests possible mitigating strategies.

  • Air pollution is a major concern issue on Macao since the concentration levels of several of the most common pollutants are frequently above the internationally recommended values. The low air quality episodes impacts on human health paired with highly populated urban areas are important motivations to develop forecast methodologies in order to anticipate pollution episodes, allowing establishing warnings to the local community to take precautionary measures and avoid outdoor activities during this period. Using statistical methods (multiple linear regression (MLR) and classification and regression tree (CART) analysis) we were able to develop forecasting models for the main pollutants (NO2, PM2.5, and O3) enabling us to know the next day concentrations with a good skill, translated by high coefficients of determination (0.82–0.90) on a 95% confidence level. The model development was based on six years of historical data, 2013 to 2018, consisting of surface and upper-air meteorological observations and surface air quality observations. The year of 2019 was used for model validation. From an initially large group of meteorological and air quality variables only a few were identified as significant dependent variables in the model. The selected meteorological variables included geopotential height, relative humidity and air temperature at different altitude levels and atmospheric stability characterization parameters. The air quality predictors used included recent past hourly levels of mean concentrations for NO2 and PM2.5 and maximum concentrations for O3. The application of the obtained models provides the expected daily mean concentrations for NO2 and PM2.5 and maximum hourly concentrations O3 for the next day in Taipa Ambient air quality monitoring stations. The described methodology is now operational, in Macao, since 2020.

  • A 1:12,000 geological map of the Macao Special Administrative Region has been produced through detailed field work supported by petrographic, mineralogical, geochronological and geochemical data obtained in previous studies. This map aims to represent a reliable tool to understand the geological evolution of the region and for management of the territory. The geology of Macao is dominated by two groups of Jurassic granitic rocks belonging to an intrusive suite located along the coast of Southeast China: Macao Group I (MGI: 164.5 ± 0.6 to 162.9 ± 0.7 Ma) and Macao Group II (MGII: 156.6 ± 0.2 to 155.5 ± 0.8 Ma), including the associated microgranite, aplite and pegmatite dikes and quartz veins. Remnants of the metasedimentary wall-rock are present as Devonian xenoliths enclosed within the granites. Younger Jurassic to Cretaceous andesite to dacite dikes (150.6 ± 0.6 to <120 Ma) intrude the granitic rocks. Additionally, Quaternary sedimentary deposits cover the older lithologies.

  • The widespread W-(Mo)-Sn-Nb-Ta polymetallic mineralization in Southeast (SE) China is genetically associated with Mesozoic highly fractionated granitic rocks. Such rocks have enigmatic mineralogical and geochemical features, making its petrogenesis an intensely debated topic. To better understand the underlying magma evolution processes, petrography, garnet chemistry and whole-rock major and trace element data are reported for Jurassic highly fractionated granitic rocks and associated microgranite and aplitepegmatite dikes from Macao and compared with coeval similar granitic rocks from nearby areas in SE China. Despite the fact that the most evolved rocks in Macao are garnet-bearing aplite-pegmatite dikes, the existence of coeval two-mica and garnet-bearing biotite and muscovite granites displaying more evolved compositions (e.g, lower Zr/Hf ratios) indicates that the differentiation sequence reached higher degrees of fractionation at a regional scale. Although crystal fractionation played an important role, late-stage fluid/melt interactions, involving F-rich fluids, imparted specific geochemical characteristics to Macao and SE China highly fractionated granitic rocks such as the non-CHARAC (CHArge-and-RAdius-Controlled) behavior of trace elements, leading, for example, to non-chondritic Zr/Hf ratios, Rare Earth Elements (REE) tetrad effects and Nb-Ta enrichment and fractionation. Such process contributed to the late-stage crystallization of accessory phases only found in these highly evolved facies. Among the latter, two populations of garnet were identified in MGI (Macao Group I) highly fractionated granitic rocks: small grossular-poor euhedral grains and large grossular-rich skeletal garnet grains with quartz inclusions. The first group was mainly formed through precipitation from highly evolved Mn-rich slightly peraluminous melts under low-pressure and relatively low temperature (∼700 °C) conditions. Assimilation of upper crust metasedimentary materials may have contributed as a source of Mn and Al to the formation of garnet. The second group has a metasomatic origin related to the interaction of magmatic fluids with previously crystallized mineral phases and, possibly, with assimilated metasedimentary enclaves or surrounding metasedimentary strata. The highly fractionated granitic rocks in Macao represent the first stage in the development of granite-related W-(Mo)-Sn-Nb-Ta mineralization associated with coeval more evolved lithotypes in SE China.

  • Fishes show remarkably diverse aggressive behaviour. Aggression is expressed to secure resources; adjusting aggression levels according to context is key to avoid negative consequences for fitness and survival. Nonetheless, despite its importance, the physiological basis of aggression in fishes is still poorly understood. Several reports suggest hormonal modulation of aggression, particularly by androgens, but contradictory studies have been published. Studies exploring the role of chemical communication in aggressive behaviour are also scant, and the pheromones involved remain to be unequivocally characterized. This is surprising as chemical communication is the most ancient form of information exchange and plays a variety of other roles in fishes. Furthermore, the study of chemical communication and aggression is relevant at the evolutionary, ecological and economic levels. A few pioneering studies support the hypothesis that aggressive behaviour, at least in some teleosts, is modulated by “dominance pheromones” that reflect the social status of the sender, but there is little information on the identity of the compounds involved. This review aims to provide a global view of aggressive behaviour in fishes and its underlying physiological mechanisms including the involvement of chemical communication, and discusses the potential use of dominance pheromones to improve fish welfare. Methodological considerations and future research directions are also outlined.

Last update from database: 3/28/24, 2:38 PM (UTC)