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Contrary to the traditional concept of artificial intelligence, explainable artificial intelligence (XAI) aims to provide explanations for the prediction results and make users perceive the system ...

This study examined the degradation of tetracycline (TC) in a sulfate radical-based advanced oxidation process (SR-AOP) by using iron sulfide (FeS) derived from the biogas desulfurization process waste as a catalyst. The study focused on the degradation mechanism and operational variables, including FeS catalyst dosage, concentration of potassium persulfate (PS) as an oxidant, initial TC concentration, and solution pH. FeS was revealed to be mesoporous that mainly consists of pyrrhotite with low levels of crystalline impurities. The optimal condition for TC degradation was obtained at neutral pH, that is, more than 90% TC degradation at pH 6.5. Both sulfate radicals (SO4•− and hydroxyl radicals (•OH) were the primary oxidizing agents generated by the solution and surface phase reactions, and a plausible reaction mechanism was proposed. The TC degradation rate remained constant, even after several reusability tests, suggesting the stability of the FeS catalyst. A total of eight TC transformation products were identified after the FeS/PS process. FeS originating from waste material in the biogas desulfurization process is a practically economic and efficient catalyst in SR-AOP systems for the degradation of emerging pollutants including antibiotics. Thus, activating PS with FeS has great potential considering its high added economic value.

While the uterine cervix responds to the female sex hormone change, the role of progesterone in cervical cancer is poorly understood. It has been shown that medroxyprogesterone acetate (MPA) regresses cervical cancer in the transgenic mouse model expressing human papillomavirus type 16 (HPV16) E6 and E7 oncogenes. As MPA interacts most strongly with progesterone receptor (PR), we reasoned that PR would contribute to MPA-induced regression of cervical cancer. We also hypothesized that estrogen influences the therapeutic activity of MPA because it promotes cervical cancer growth in the same mouse model. In the present study, we found that the deletion of Pgr in the cervical cancer cells ablated the MPA's therapeutic effect in the HPV transgenic mouse model. We also discovered that estrogen attenuated cancer regression by MPA in the same model system. These observations indicate that MPA can effectively regress cervical cancer only when cancer cells express PR and estrogen levels are low. Our results suggest that, if translatable, MPA should be administered when estrogen levels are low in patients with PR-positive cervical cancer.

The transoceanic movement of non-indigenous microorganisms and organic and inorganic contaminants through the transfer of ballast water of ocean-going vessels can be considered highly likely. The introduction of contaminants and non-indigenous microorganisms can cause changes in indigenous microorganisms, marine species, and biota, which can create problems for the ecology, economy, environment, and human health. This paper compiles and presents ballast water treatment system concepts, principles of inactivation mechanisms used, and the advantages and challenges of the treatment technologies. In addition, the paper aims to draw attention to the relationship between various organisms and the individual mechanism to be inactivated, including the effect of external factors (e.g., pH, salinity, turbidity) on inactivation efficiency. This review can assist in the choice of a suitable ballast water treatment system, taking into account the water conditions (e.g., pH, temperature, salinity) and indigenous species of the maritime areas where the ships intend to operate. This review also provides information describing the responses of the various organisms to different treatment techniques.

Autonomous vehicles are expected to be commercialized within a few years, and researchers have investigated various factors that influence their adoption. However, only a few studies have considered comparative and psychological perspectives that can affect user-vehicle relationships. Focusing on this limitation, this study investigates influential factors on the use of autonomous vehicles in terms of a technology acceptance model (which considers perceived ease of use, perceived usefulness, and intention to use) and factors for autonomous vehicle use (e.g., perceived risk, relative advantage, self-efficacy, and psychological ownership (i.e., feeling of ownership)). Our results show that self-efficacy positively affects the perceived ease of use and intention to use, while the relative advantage affects perceived usefulness. Psychological ownership affects the intention to use but not the perceived usefulness. This implies that encouraging a consumer to form a psychological bond (i.e., psychological ownership) with an autonomous vehicle may be an effective strategy for promoting the use of autonomous vehicles.

Fluorescent carbon dots (CDs) including carbon quantum dots (CQDs) and graphene quantum dots (GQDs) have drawn great interest because of their low cost and low toxicity, and they represent a new class of carbon materials prepared by simple synthetic routes. In particular, the optical properties of CDs can be easily tuned by the surface passivation of the organic layer and functionalization of the CDs. Based on the advantages of these carbon materials, CQDs and GQDs have been applied in various fields as nanoplatforms for sensing, imaging, and delivery. In this review, we discuss several synthetic methods for preparing CQDs and GQDs, as well as their physical properties, and further discuss the progress in CD research with an emphasis on their application in heavy metal sensing.

It is important to examine the factors whereby consumers adopt on-demand services, particularly the factors related to consumer safety, to obtain the sustainable growth of on-demand services. Because consumers face physical risks as they confront service providers in person when using these on-demand services, unlike with traditional online services. This paper analyzed the effect of the level of face-to-face interaction between consumer and service provider with the adoption of on-demand services using an extended technology acceptance model. The result shows that the effects of the factors including perceived safety on adoption of on-demand services was different according to the type of on-demand services classified by the level of face-to-face interaction.

Maintaining drinking water quality during distribution requires a range of tools to ensure chemical stability at the tap. Coloured water is a primary concern, and sodium silicates have been reported to reduce colour from iron. However, the impacts of water quality and the interactions between sodium silicate and iron oxides are not well characterized in this context. We conducted a bench-scale factorial experiment (24) to evaluate the effect of sodium silicate on colour and turbidity with pH, humic acid, free chlorine, and sodium silicate as independent variables. Sodium silicate reduced colour and turbidity due to particulate iron by 113.3 Pt–Co and 4.0 NTU, respectively. Sodium silicate reduced the size of iron particles, as determined by dynamic light scattering and laser diffraction, and increased the apparent density, as assessed by electron microscopy. XRD and XPS data were consistent with increased amorphous and oxyhydroxide content in iron precipitates exposed to sodium silicate. Silicate also inhibited the adsorption of humic acid onto model iron oxides due to electrostatic repulsion: the zeta (ζ-) potentials of iron oxides in silicate-treated systems were substantially more negative.

Disinfection byproducts (DBPs) and algal toxins can be expensive to monitor and represent significant potential risks to human health. DBPs, including haloacetic acids and trihalomethanes, are possible or probable human carcinogens. Microcystin-LR—produced by cyanobacteria—is linked with various adverse health effects. Here we show that fluorescence spectra predict both microcystin-LR occurrence and DBP formation potential (DBPfp) in lake water. We compared models with either fluorescence spectra or a suite of water quality predictors as inputs. A regularized logistic regression model with fluorescence spectral inputs correctly classified 94% of test data with respect to microcystin-LR occurrence, with a 96% probability of correctly ranking a detect/nondetect pair. Regularized linear regression predicted DBPfp based on fluorescence inputs with a combined R2 of 0.83 on test data. A gradient-boosted classifier with seven water quality inputs was comparable in detecting microcystin-LR (91% correct), as was U...

Because of their carcinogenicity and mutagenicity, the elimination of organic contaminants from surface and subsurface water is a subject of environmental significance. Conventional water decontamination approaches such as membrane separation, ultrafiltration, adsorption, reverse osmosis, coagulation, etc., have relatively higher operating costs and can generate highly toxic secondary contaminants. On the other hand, heterogeneous photocatalysis, an advanced oxidation process (AOP), is considered a clean and cost-effective process for organic pollutants degradation. Owing to their distinctive structure and physicochemical properties non-spherical semiconductors have gained considerable limelight in the photocatalytic degradation of organic contaminants. The current review briefly introduces a wide range of organic water contaminants. Recent advances in non-spherical semiconductor assembly and their photocatalytic degradation applications are highlighted. The underlying mechanism, fundamentals of photocatalytic reactions, and the factors affecting the degradation performance are also alluded including the current challenges and future research perspectives.

Sulfasalazine (SAS), an anti-inflammatory drug with potent cysteine/glutamate antiporter system xc-(SXC) inhibition has recently shown beneficial effects in brain-related diseases. Despite many reports related to central nervous system (CNS) effect of SAS, pharmacokinetics (PK) and metabolite identification studies in the brain for SAS were quite limited. The aim of this study was to investigate the pharmacokinetics and metabolite identification of SAS and their distributions in mouse brain. Using in vivo brain exposure studies (neuro PK), the PK parameters of SAS was calculated for plasma as well as brain following intravenous and oral administration at 10 mg/kg and 50 mg/kg in mouse, respectively. In addition, in vivo metabolite identification (MetID) studies of SAS in plasma and brain were also conducted. The concentration of SAS in brain was much lower than that in plasma and only 1.26% of SAS was detected in mouse brain when compared to the SAS concentration in plasma (brain to plasma ratio (%): 1.26). In the MetID study, sulfapyridine (SP), hydroxy-sulfapyridine (SP-OH), and N-acetyl sulfapyridine (Ac-SP) were identified in plasma, whereas only SP and Ac-SP were identified as significant metabolites in brain. As a conclusion, our results suggest that the metabolites of SAS such as SP and Ac-SP might be responsible for the pharmacological effect in brain, not the SAS itself.

Antibody&ndash, drug conjugate (ADC) linkers play an important role in determining the safety and efficacy of ADC. The Ortho Hydroxy-Protected Aryl Sulfate (OHPAS) linker is a newly developed linker in the form of a di-aryl sulfate structure consisting of phenolic payload and self-immolative group (SIG). In this study, using two bioanalytical approaches (namely &ldquo, bottom-up&rdquo, and &ldquo, middle-up&rdquo, approaches) via the liquid chromatography-quadrupole time-of-flight mass spectrometric (LC-qTOF-MS) method, in vitro and in vivo linker stability experiments were conducted for the OHPAS linker. For comparison, the valine-citrulline-p-aminobenzyloxycarbonyl (VC-PABC) linker was also evaluated under the same experimental conditions. In addition, the catabolite identification experiments at the subunit intact protein level were simultaneously performed to evaluate the catabolic fate of ADCs. As a result, the OHPAS linker was stable in the in vitro mouse/human plasma as well as in vivo pharmacokinetic studies in mice, whereas the VC-PABC linker was relatively unstable in mice in vitro and in vivo. This is because the VC-PABC linker was sensitive to a hydrolytic enzyme called carboxylesterase 1c (Ces1c) in mouse plasma. In conclusion, the OHPAS linker appears to be a good linker for ADC, and further experiments would be warranted to demonstrate the efficacy and toxicity related to the OHPAS linker.

In this study, gadolinium doped bismuth vanadate powders were synthesized, characterized, and tested as a potential photocatalyst for the removal of pharmaceutically active compounds (PhACs) and bacterial inactivation in a real wastewater effluent using UVA as irradiation source. X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) studies revealed that the bismuth vanadate system was successfully doped with 4% of gadolinium in molar mass leading to the formation of a heterostructured photocatalyst. Up to 98.3% of diclofenac was removed from pure water after 120 min through photocatalysis. However, the photocatalytic performance of the photocatalyst on wastewater effluent was rather variable due to the complexity of the matrix where 22 different PhACs were detected by means of Ultra Performance Liquid Chromatography-Triple Quadrupole Mass Spectrometry (UPLC-QqQ-MS/MS). High photocatalytic removal efficiency (80 – 100%) was observed for some of the studied PhACs (e.g. naproxen and furosemide) whereas moderate efficiency (40 – 70%) was observed for others (e.g. acetaminophen and azithromycin) after 180 min (UVA dose = 139.5 Wh m-2, t30W = 279 min-1). Some of the studied PhACs like clarithromycin and Ibuprofen showed poor removal efficiency (< 30%). In disinfection tests, Total coliforms, Escherichia coli, Enterococci, and Klebsiella pneumoniae showed inactivation after direct UVA LED photolysis. Nevertheless, higher inactivation was achieved for Enterococci in the presence of the synthesized photocatalyst showing an increase of 41.1% in kmax.

In this study, the properties and adsorption behaviors of organoclays synthesized with two structurally different surfactants having the same carbon chain length (hexadecyltrimethylammonium bromide (HDTMAB) and benzyldimethylhexadecylammonium chloride (BDHAC)) were evaluated. The structural properties of the synthesized organoclays were examined using Fourier-transform infrared spectroscopy, zeta potential analysis, X-ray diffraction, and N2 adsorption-desorption test. The modified clays with increased surfactant loadings (from 0.5 CEC to 3 CEC) were prepared to find the optimal surfactant loading. As a result, 1.5 cation exchange capacity (CEC) was found to be the optimal surfactant loading. The organoclay prepared using HDTMAB (H-Bt) exhibited the maximum adsorption capacity of 114.3 mg/g for anionic Orange G dye, which was 1.74 times higher than that of the organoclay prepared using BDHAC (B-Bt). Furthermore, in the presence of a mixture of cationic and anionic dye molecules in water, H-Bt tended to remove more of the cationic target compound than B-Bt (i.e., methylene blue (MB)), suggesting that H-Bt can serve as a more efficient adsorbent for the uptake of environmental contaminants in practical scenarios. Moreover, this study examined the effects of surfactant molecules on the structural properties of organoclays and their adsorption behaviors in the uptake of dye molecules.

Tumor-suppressor genes (TSG) are often deleted or transcriptionally suppressed in cancer. PGR codes for progesterone receptor (PR), a transcription factor whose function depends on its ligand. Although PR expression is often undetectable in cervical cancer, its relevance to the endocrine-related etiology of this prevalent gynecological disease remains unclear. In this study, we show that the deletion of one Pgr allele in cervical epithelium promoted spontaneous cervical cancer in human papilloma viral oncogene-expressing transgenic mice as efficiently as the ablation of both Pgr alleles. We also show that tumors arising in the transgenic mice with one or both Pgr alleles did not express PR or expressed at the reduced levels compared with the normal epithelium. PR status correlated with estrogen receptor α (ERα) status in the mouse model and the Cancer Genome Atlas (TCGA) dataset. TCGA data analyses revealed that PGR expression significantly decreased in cervical cancer and that the biallelic deletion of PGR was rare. Furthermore, low PGR expression was associated with poor prognosis in young patients with cervical cancer. These discoveries point to PGR as a haploinsufficient TSG in the uterine cervix. They also raise the possibility that the restoration of PGR expression may improve the survival rate. Implications: The decreased expression of PR may increase the risk of cervical cancer in human papillomavirus–infected women. Visual Overview: http://mcr.aacrjournals.org/content/molcanres/19/1/42/F1.large.jpg.

Carisbamate is an antiepileptic drug and it also has broad neuroprotective activity and anticonvulsant reaction. In this study, a liquid chromatography-quadrupole time-of-flight mass spectrometric (LC-qTOF-MS) method was developed and applied for the determination of carisbamate in rat plasma to support in vitro and in vivo studies. A quadratic regression (weighted 1/concentration2), with an equation y = ax2 + bx + c, was used to fit calibration curves over the concentration range from 9.05 to 6,600 ng/mL for carisbamate in rat plasma. Preclinical in vitro and in vivo studies of carisbamate have been studied through the developed bioanalytical method. Based on these study results, human pharmacokinetic (PK) profile has been predicted using physiologically based pharmacokinetic (PBPK) modeling. The PBPK model was optimized and validated by using the in vitro and in vivo data. The human PK of carisbamate after oral dosing of 750 mg was simulated by using this validated PBPK model. The human PK parameters and profiles predicted from the validated PBPK model were similar to the clinical data. This PBPK model developed from the preclinical data for carisbamate would be useful for predicting the PK of carisbamate in various clinical settings.

N-nitroso compounds form from the interaction between nitrosatable precursors and nitrite under acidic conditions. A majority of N-nitroso compounds tested show evidence of carcinogenicity in animal models. Formation of N-nitroso compounds may occur from exposure to precursors in drinking water, but the extent of formation depends on a number of factors, including concentration of substrates, presence of catalysts and inhibitors, and pH. The objective of this study was to examine these factors in pesticide-associated N-nitroso (PANN) compound formation in drinking water. In preliminary screening experiments, nine nitrosatable pesticides and degradation products were individually reacted at environmentally-relevant concentrations (≤ 20 μg L‐−1) with sodium nitrite (NaNO2) and hydrochloric acid (HCl) in ultra-pure water. Only ethylenethiourea (ETU) showed evidence of PANN compound formation in initial experiments and was further tested for N-nitrosoethylenethiourea (N-ETU) formation in a pooled groundwater sample (comprised of five tap water samples combined into one homogenous sample) collected from an agricultural region of Prince Edward Island in Canada, where nitrate contamination is a known concern. Evidence of N-ETU formation in the groundwater sample was observed within 30 min at concentrations 7.5, 10, and 20 μg L−1. Analysis of target compounds and semi-target PANN compounds was performed using ultra-high pressure liquid chromatography coupled with high resolution orbital ion trap mass spectrometry. These preliminary experiments serve to inform about potential PANN compound formation in groundwater. The results of this study suggest that ETU is capable of forming potentially carcinogenic N-ETU in water containing nitrite/nitrate at trace concentrations under acidic conditions. Thus, these findings suggest that N-ETU formation may be a concern for individuals exposed to low concentrations of ETU in groundwater.

MMAE is a potent antimitotic drug used as payload of an antibody-drug conjugate which shows potent activity in preclinical and clinical studies against a range of lymphomas, leukemia and solid tumors. Liquid chromatography-high resolution mass spectrometric method was developed for the quantification of MMAE and its preclinical pharmacokinetics. The method consisted of protein precipitation using acetonitrile (ACN) for sample preparation and liquid chromatography - quadrupole - time-of-flight - tandem mass spectrometry (LC-qTOF-MS/MS) analysis in the positive ion mode. A quadratic regression (weighted 1/concentration2 ), with an equation y = ax2 + bx + c, was used to fit calibration curves over the concentration range of 1.01-2,200 ng/mL for MMAE. The qualification run met the acceptance criteria of ±25% accuracy and precision values for QC samples. Recovery was 42.84%. The dilution integrity was determined for 5-fold dilution and the accuracy and precision ranged within ±25%. The stability results indicated that MMAE was stable for the following conditions: short-term (4 h), long-term (4 weeks), freeze/thaw (3 cycles) and post-preparative stability (12 h). This qualified method was successfully applied to a pharmacokinetic study of MMAE in rat as a preclinical animal model. The PK results suggest that MMAE has moderate CL and low BA.Also, these results would be helpful in having a comprehensive understanding of the PK characteristics of MMAE and developing ADC in future.

5-Amino-7-(2-phenylethyl)-2-(2-furyl)-pyrazolo(4,3-e)-1,2,4-triazolo(1,5-c) pyrimidine (SCH 58261) is one of the new chemical entities that has been developed as an adenosine A2A receptor antagonist. Although SCH 58261 has been reported to be beneficial, there is little information about SCH 58261 from a drug metabolism or pharmacokinetics perspective. This study describes the metabolism and pharmacokinetic properties of SCH 58261 in order to understand its behaviors in vivo. Rats were used as the in vivo model species. First, an LC&ndash, MS/MS method was developed for the determination of SCH 58261 in rat plasma. A GastroPlus&trade, simulation, in vitro microsomal metabolic stability, and bile duct-cannulated studies were also performed to understand its pharmacokinetic profile. The parameter sensitivity analysis of GastroPlus&trade, was used to examine the factors that influence exposure when the drug is orally administered. The factors are as follows: permeability, systemic clearance, renal clearance, and liver first-pass effect. In vitro microsomal metabolic stability indicates how much the drug is metabolized. The extrapolated hepatic clearance value of SCH 58261 was 39.97 mL/min/kg, indicating that the drug is greatly affected by hepatic metabolism. In vitro microsomal metabolite identification studies revealed that metabolites produce oxidized and ketone-formed metabolites via metabolic enzymes in the liver. The bile duct-cannulated rat study, after oral administration of SCH 58261, showed that a significant amount of the drug was excreted in feces. These results imply that the drug is not absorbed well in the body after oral administration. Taken together, SCH 58261 showed quite a low bioavailability when administered orally and this was likely due to significantly limited absorption, as well as high metabolism in vivo.

Parkinson&rsquo, s disease is one of the most common neurodegenerative diseases. Adenosine regulates the response to other neurotransmitters in the brain regions related to motor function. In the several subtypes of adenosine receptors, especially, adenosine 2A receptors (A2ARs) are involved in neurodegenerative conditions. ZM241385 is one of the selective non-xanthine A2AR antagonists with high affinity in the nanomolar range. This study describes the in vitro and in vivo pharmacokinetic properties of ZM241385 in rats. A liquid chromatography-quadrupole time-of-flight mass spectrometric (LC-qToF MS) method was developed for the determination of ZM241385 in rat plasma. In vivo IV administration studies showed that ZM241385 was rapidly eliminated in rats. However, the result of in vitro metabolic stability studies showed that ZM241385 had moderate clearance, suggesting that there is an extra clearance pathway in addition to hepatic clearance. In addition, in vivo PO administration studies demonstrated that ZM241385 had low exposure in rats. The results of semi-mass balance studies and the in silico PBPK modeling studies suggested that the low bioavailability of ZM241385 after oral administration in rats was due to the metabolism and by liver, kidney, and gut.

Inorganic and organic pollutants present a hazard to surface and groundwater resources. Peroxymonosulfate (PMS, HSO5−) has received increasing attention for in situ chemical oxidation (ISCO) capable of remediating contaminated sites. Considering that saline waters occur widely in natural environments, it is desirable to evaluate the effect of Cl− on the PMS oxidation of organic compounds. In this study, 2,4-dichlorophenol (2,4-DCP) was used as a model pollutant. At a PMS concentration of 2.0 mM, Cl− concentration of 50 mM, and solution pH of 7.0, 2,4-DCP was completely degraded by PMS in the presence of Cl− (PMS/Cl− system), while PMS alone exhibited almost no reactivity with 2,4-DCP. The degradation of 2,4-DCP was optimized at a solution pH of 8.4 and high concentrations of PMS and Cl−. Quenching experiments and degradation pathway analyses indicated that HClO was responsible for 2,4-DCP oxidation, and HClO was mainly generated by the interaction of Cl− with HSO5−, rather than SO52−. Consequently, the transformation from HSO5− to HClO appeared under a solution pH of 10.0 and was favored in an acidic solution. Given the ambient pH and Cl− concentrations of saline waters, a considerable amount of HClO may be produced by the interaction of PMS with Cl− in the oxidant delivery stage of ISCO processes. Interestingly, H2O2 and peroxydisulfate did not exhibit reactions similar to those of PMS. This research indicated that caution must be exercised when choosing an oxidant for ISCO processes in saline waters.

Recent years have witnessed an incredibly high interest in perovskite-based materials. Among this class, metal halide perovskites (MHPs) have attracted a lot of attention due to their easy preparation and excellent opto-electronic properties, showing a remarkably fast development in a few decades, particularly in solar light-driven applications. The high extinction coefficients, the optimal band gaps, the high photoluminescence quantum yields and the long electron–hole diffusion lengths make MHPs promising candidates in several technologies. Currently, the researchers have been focusing their attention on MHPs-based solar cells, light-emitting diodes, photodetectors, lasers, X-ray detectors and luminescent solar concentrators. In our review, we firstly present a brief introduction on the recent discoveries and on the remarkable properties of metal halide perovskites, followed by a summary of some of their more traditional and representative applications. In particular, the core of this work was to examine the recent progresses of MHPs-based materials in photocatalytic applications. We summarize some recent developments of hybrid organic–inorganic and all-inorganic MHPs, recently used as photocatalysts for hydrogen evolution, carbon dioxide reduction, organic contaminant degradation and organic synthesis. Finally, the main limitations and the future potential of this new generation of materials have been discussed. © 2020 by the authors. Licensee MDPI, Basel, Switzerland.

Solution-processable small molecule (SM) organic semiconductors for organic photovoltaics have been in the spotlight for several years. In particular, SM semiconductors have been developed in an attempt to control their film morphology, study their intermolecular interactions, and synthesize new electron donor and electron acceptor subunits. SMs have many advantages over polymers including well-defined molecular structures, monodispersity, and no batch-to-batch dependence. Although SM semiconductors can be designed by truncation from polymers, such examples have rarely been reported. Herein we designed SM semiconductors by truncating a representative polymer, Poly[4-(4,8-bis((2-hexyldecyl)oxy)benzo[1,2-b:4,5-b’]dithiophen-2-yl)-alt-benzo[c][1,2,5]thiadiazole] (PBDTBT). Based on density functional theory (DFT) calculations, 2,1,3-benzothiadiazole (BT) was chosen as an electron acceptor subunit instead of thieno[3,4-c]pyrrole-4,6-dione (TPD). The SM semiconductors were end-capped with pyridine derivatives. Thermal, optical and electrochemical properties of these materials were examined to confirm the degradation temperature, the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO) energy levels, and the band gaps. In particular, the benzyloxyl pyridine-capped semiconductor (SM1) exhibited power conversion efficiency (PCE) of 1.92% which is higher than those shown by the corresponding polymer PBDTBT (0.90% and 1.71%).

Recirculating aquaculture systems (RAS) allow food fish to be grown in a contained system with minimal water use (up to 99% recirculation) and a small land footprint. Currently, the use of natural estrogen (17β-estradiol; E2) as a feed additive is being studied to increase growth and feminization in American eels (Anguilla rostrata) being grown in a RAS. This study aimed to degrade concentrations of E2 and its metabolites, estrone (E1) and estriol (E3), in aquaculture effluent to below detectable levels to ensure the safe discharge of waste streams. Advanced oxidation processes (AOPs) have been previously used to degrade trace organic contaminants to great effect. This study tested two AOPs (UV and UV/H2O2) for the removal of E2 and its metabolites at low concentrations. Estrogen levels were analyzed using liquid chromatography-tandem mass spectrometry (LC–MS/MS). Increasing UV dose increased the degradation of estrogens and their removal was improved in aquaculture wastewater versus in pure water. The addition of H2O2 did not consistently improve the efficacy of the UV treatments. The results of this study indicate that these processes may be of future commercial use to remove estrogenic compounds from aquaculture wastewater.

A smart home is considered a primary service of the Internet of Things (IoT), and global leading companies are launching smart home services/products based on the IoT. However, the spread of smart homes has been slower than expected, and analysis of smart homes from a demand perspective is required. This study suggests implications for promoting the smart home market by analyzing factors affecting adoption and diffusion of smart homes. A technology acceptance model was used to describe the adoption of smart homes and a multivariate probit model was used to describe the diffusion of smart homes. The characteristics of smart homes such as network effects between services/products and the importance of personal information protection were considered in addition to demographic variables. The results of this study show that compatibility, perceived ease of use, and perceived usefulness have significant positive effects on purchase intention. In terms of purchase timing, unlike other information and communication technology (ICT) services/products, older consumers are more likely to purchase smart homes within a given time period than are younger consumers. Therefore, a strategy for promoting smart home purchases by young consumers is required to increase market demand.

Human papillomavirus (HPV) is required but not sufficient for cervical carcinoma (CxCa) development. Oestradiol (E2 ) promotes CxCa development in K14E7 transgenic mice expressing the HPV16 E7 oncoprotein under the control of the keratin (K14) promoter. E2 mainly functions through oestrogen receptor α (ERα). However, the role of ERα in human CxCa has been underappreciated largely because it is not expressed in carcinoma cells. We have shown that deletion of Esr1 (the ERα-coding gene) in the cervical stroma of K14E7 mice promotes regression of cervical intraepithelial neoplasia (CIN), the precursor lesion of CxCa. Here, we deleted Esr1 in the cervical epithelium but not in the stroma. We found that E2 induced cervical epithelial cell proliferation in epithelial ERα-deficient mice. We also found that E2 promoted the development of CIN and CxCa in epithelial ERα-deficient K14E7 mice and that all neoplastic epithelial cells were negative for ERα. In addition, proliferation indices were similar between ERα- and ERα+ CxCa. These results indicate that epithelial ERα is not necessary for E2 -induced CIN and CxCa. Taking these findings together, we conclude that stromal ERα rather than epithelial ERα mediates oncogenic E2 signalling in CxCa. Our results support stromal ERα signalling as a therapeutic target for the disease. Copyright © 2018 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.

The ICT industry is reshaping itself through convergence and coopetition across the ecosystem. In particular, many ICT companies have been trying to achieve both hardware and software capabilities to accelerate innovation. To understand the changes in the ICT industry, we empirically study the hardware and software industries using the ecosystem framework. We estimate the efficiency levels of the hardware and software industries in China, Japan, South Korea, and the United States (US) using stochastic frontier analysis and meta frontier analysis, and we examine the effects of the ICT ecosystem structure on efficiency levels using a Tobit regression. We find that the US, which is the global ICT leader, performs significantly better than other countries, with the biggest technology gap ratios in both hardware and software, and South Korea, which has the most hardware-centric industrial structure among the four countries, has the biggest efficiency gap between the hardware and software industries. Tobit results further reveal that a well-balanced ecosystem is important in achieving high efficiency in both hardware and software, and the effect is much higher in the software industry than in the hardware industry.

The main psychoactive compound in Cannabis sativa, Δ9-tetrahydrocannabinol (THC), and its metabolites are emerging organic contaminants that have been detected in waste and surface waters around the globe. This study tested the efficacy of advanced oxidation processes (i.e., direct UV photolysis or UV/H2O2 processes) towards the treatment of the main human metabolite of THC, THC-COOH. Three different waters were selected to evaluate the photolysis and oxidation performance with polychromatic UV light in the range of 200–300 nm, and the effect of pH on the photooxidation of THC-COOH was also studied. The results indicated that direct UV photolysis followed pseudo first-order kinetics, with fluence-based rate constants ranging from 1.9(0.3)–2.7(0.2) × 10−3 cm2 mJ−1, 0.6(0.2)–1.0(0.1) × 10−3 cm2 mJ−1, and 0.6(0.2)–0.9(0.2) × 10−3 cm2 mJ−1 for THC-COOH prepared in deionised (DI) water, Suwannee River humic acid (SRHA) dissolved in DI water, and natural lake water, respectively. This study found that the UV/H2O2 process did not enhance the oxidation rate in comparison to direct photolysis, and no effect of pH from 5.6 ± 0.2 to 8.7 ± 0.2 was observed. Hence, the hydroxyl radical (HO˙) degradation pathway played a less important role in the overall oxidation of THC-COOH under the tested conditions (i.e., SRHA and lake water) than direct photolysis.

Electrochemically activating peroxydisulfate (PDS) can eliminate organic pollution using electron as activator without the involvement of byproducts. Notwithstanding, the process suffered from long hydraulic retention time, and the activation regime remained unclear. Herein, using Pd/Al2O3 catalyst as particle electrode for initiating PDS oxidation in the cathodic cell can degrade various organic pollutants with varying the kinetic constants from 0.0256 min−1 to 0.0645 min−1, which were at least 5-fold higher than that in previous studies. The reactive oxygen species were determined to be SO4•–/•OH. These radicals were readily formed from the single-electron reduction of PDS by electro-induced atomic hydrogen (indirect reduction mechanism), while direct two-electron transfer from electro-generated H2 to PDS consumed its oxidation capacity without yielding radical due to the higher energy barrier. Revealing the mechanism of electrochemically unleashing the oxidative power of PDS into SO4•– can rationalize the design of scalable electrode for PDS-based water purification.

Trastuzumab emtansine (T-DM1, brand name: Kadcyla®) is the first FDA-approved antibody-drug conjugate (ADC) for metastatic human epidermal growth factor receptor 2 positive (HER2+) breast cancer. It consists of three components: trastuzumab, an anti-HER2 monoclonal antibody, maytansinoid (DM1) as a cytotoxic drug, and maleimidomethyl cyclohexane-1-carboxylate (MCC) as a linker. In particular, the MCC linker is known as a non-cleavable linker and has a feature of being conjugated to DM1 by a covalent thioether bond. In this study, we developed an immuno-affinity capture liquid chromatography-mass spectrometric (LC-MS/MS) assay for quantifying the antibody-conjugated drug (acDrug) component of T-DM1. To quantify acDrug, desulfurated DM1 was prepared using a chemical desulfuration pretreatment and quantified as an acDrug. A quadratic regression (weighted 1/concentration), with equation y = ax2 + bx + c, was used to fit the calibration curves over the concentration range of 17.09~1709.44 ng/mL for the acDrug of T-DM1. The quantification run met the in-house acceptance criteria of ±25% accuracy and precision values for the quality control (QC) samples. In conclusion, an immuno-affinity capture LC-MS/MS assay was successfully developed to quantify acDrug of T-DM1 and applied to evaluate in vitro plasma linker stability and preclinical pharmacokinetic (PK) study in rats. This assay could be helpful when applied to other ADCs with the same linker-cytotoxic drug platform.

The photocatalytic efficiency of BiVO4 was enhanced through rare-earth doping (Gd3+). The effect of different concentrations of Gd3+ was evaluated through the decomposition of bisphenol A in water. To better understand the photocatalytic properties of the synthesized photocatalysts, scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), diffuse reflectance spectroscopy (DRS), and Brunauer-Emmett-Teller (BET) method were applied. It was found that 4% of Gd3+ in molar mass showed the best photocatalytic efficiency. Decomposition of bisphenol A, bisphenol S, and bisphenol AF was studied using the photocatalyst with the optimal concentration of Gd3+, reaching decomposition percentages up to 77.02% ± 2.16, 44.36% ± 2.74%, and 74.11% ± 5.09, respectively after three hours reaction. Reactive species were identified by scavenging tests and additionally, kinetic studies were performed. A decomposition pathway was proposed for the three studied pollutants. The synthesized Gd3+ doped BiVO4 photocatalysts demonstrated to be a promising alternative for the efficient degradation of disrupting endocrine compounds such as bisphenol A analogs present in water using LED visible light as an eco-friendly irradiation source.

This work examines the potential of conducting polymers with transition metal oxides as a photocatalyst in environmental remediation. A visible light-responsive ternary composite of PANI-rGO-MnO2 was synthesized and evaluated its photocatalytic activity of a cationic dye (i.e., methylene blue, MB) in an aqueous solution. The surface morphologies and structural properties of the synthesized PANI, PANI-rGO, and PANI-rGO-MnO2 were examined. In the case of ternary composite, the successful growth/incorporation of MnO2 nanoparticles into the PANI-rGO composite was demonstrated. Furthermore, the lowered optical band gap of the ternary composite illustrates the extended light absorption range for the PANI-rGO-MnO2 photocatalyst. The photocatalytic experiments show that the PANI-rGO-MnO2 ternary composite exhibited significantly enhanced catalytic and photocatalytic activity for 90% degradation of methylene blue (MB) under visible light irradiation within 2 h. It could be attributed to synergistic effects by (i) facilitating the electron transfer from excited by reduced graphene oxide from the excited dye to PANI-MnO2 and (ii) reducing the recombination of photogenerated electron/hole pairs originating from the heterostructure of the ternary composite. The present work provides new insights into the synthesis of conducting polymer PANI, PANI-rGO, and the ternary composite of PANI-rGO-MnO2 as an efficient photocatalyst, and the developed composites would have potential applications in environmental remediation related fields.

Nowadays, Human consumption leads to massive industrial sector manufacturing. Pesticides are one of the most toxic chemicals widely used to increase agricultural production. Those compounds present several threats to the environment. The photodegradation of difenoconazole (DFL) fungicide was carried out via Photo-Fenton process using synthesized α-Fe2O3 nanoparticles. The α-Fe2O3 was prepared using hydrothermal approach at 180 °C with ferric chloride and sodium hydroxide reagents. The sample was characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), transmission electron microscope (TEM) and Raman analysis. Average crystallite size has been recorded to be 27 nm and the surface area was found to be SBet = 24.82 m2/g. DFL removal has been tested under divers systems: UV photolysis, UV/H2O2, UV/α-Fe2O3, Fenton and Photo-Fenton process. The kinetic has been monitored using High-Performance Liquid Chromatography (HPLC). All irradiation tests were achieved at 254 nm using UVC Lamp. An optimization of reaction conditions (pH, oxidant concentration, and catalyst dosage) were performed As a result, it was demonstrated that Photo-Fenton process (UV/α-Fe2O3/H2O2) as most effective for DFL removal. The optimal catalyst dose of α-Fe2O3 for high removal rate is about 0.5 g/l at initial solution pH. The mineralization efficiency attained 83.67%. The oxidation kinetics of DFL was recorded to accord with the pseudo-first order kinetic model. Finally, a possible mechanism pathway was proposed based on detected intermediates using gas chromatography-mass spectrometry (GC-MS) analysis.

The main psychoactive compound in marijuana, Δ9-tetrahydrocannabinol (THC), and its metabolites are emerging organic contaminants that have been detected in waste and surface waters around the globe. This paper aims to review the recent literature regarding the detection, occurrence, and treatment of THC and its main metabolites, 11-hydroxy-Δ9-tetrahydrocannabinol (THC-OH), and 11-nor-9-carboxy-Δ9-tetrahydrocannabinol (THC-COOH). Detection methods for THC, THC-OH, THC-COOH, and other cannabinoids have advanced in recent years with the development of sensitive analytical techniques (e.g., gas chromatography or liquid chromatography with mass spectrometry). Using online or offline solid phase extraction (SPE) has enabled detection at nanogram and picogram per litre concentrations. THC-COOH has been detected in untreated and treated wastewater up to 2500 and 750 ng·L–1, surface water over 500 ng·L–1, and tap water up to 1 ng·L–1. Adsorption is likely a significant pathway for the removal of THC that is unmetabolized in wastewater or surface water, due to its low aqueous solubility. THC and THC-COOH have been shown to cause oxidative stress to aquatic species. The few studies of potential treatments for THC-COOH have shown that chlorination and UV oxidation lead to potentially form transformation by-products, which would be toxic in aquatic environments.

The main psychoactive compound in marijuana, Δ9-tetrahydrocannabinol (THC), and its metabolites are emerging organic contaminants that have been detected in waste and surface waters. As legalization of marijuana for medical and recreational use continues, the effects of increased use and potency of marijuana on water and wastewater treatment processes and the environment should be considered. This study examined degradation kinetics of the main urinary metabolite of THC, 11-nor-9-carboxy-Δ9-tetrahydrocannabinol (THC–COOH) with chlorine. THC–COOH was rapidly removed from both deionized (DI) water at pH 5.6 ± 0.2 and Suwannee River humic acid (SRHA) at pH 5.1 ± 0.2 using low doses of chlorine (0.1 to 0.50 mg free Cl2/L), with half-lives calculated from second-order kinetics constants (k2) of 8 s for DI and 42 s for DI with SRHA. Kinetic rates increased with an increase in pH from 5 to 9 in both DI water and SRHA and no interference from phosphate was observed. The chlorination pathway of electrophilic subst...

In the acidic environment of the stomach, nitrosatable pesticide residues may react with nitrite to form potentially carcinogenic pesticide-associated N-nitroso compounds (PANOCs). The objective of this study was to develop a method for the analysis of 10 nitrosatable pesticides and breakdown products in human serum and urine. Three sample preparation methods were evaluated for extraction of target analytes from the biomatrices. Deproteinization by methanol for 300-μL aliquots of serum with a final extract volume of 225 μL resulted in excessive ion enhancement of some analytes and suppression of others. Three types of solid-phase extraction cartridges were tested for optimal analyte retention from 200-μL aliquots of serum with a final extract volume of 400 μL; this approach resulted in significant analyte loss for some compounds. The Quick, Easy, Cheap, Effective, Rugged, and Safe approach resulted in a suitable method for extraction of the analytes from each biomatrix. Biofluid samples (500 μL) were spiked to 100 μg L−1 with analytical standards and extracted using 500 μL of acetonitrile (ACN) with 4% acetic acid (AcOH) for serum and 0.1% AcOH in ACN for urine. For extraction, 200 mg magnesium sulfate (MgSO4) and 50 mg sodium acetate were added for serum and 200 mg MgSO4 and 50 mg sodium chloride were added for urine. Final extract volumes for both biomatrices using the QuEChERS method was 400 μL after dilution. Samples were analyzed via ultra-high pressure liquid chromatography/high-resolution accurate mass orbital ion trap mass spectrometry. Mean recoveries for target analytes in serum and urine ranged between 74 and 120% (%RSD

Polar organic chemical integrative samplers (POCIS) were used in this study to explore passive sampling for the detection of microcystin-LR (MC-LR). POCIS were deployed in triplicate for a minimum of 28 days at the inlet and outlet of a 1 km2, 4.2 km long lake in Atlantic Canada. POCIS results were compared to lake water grab sampling and followed a similar trend. Laboratory POCIS studies using lake water spiked with known MC-LR concentrations were used to estimate lake water concentrations over the deployment period by calculating POCIS sampling rate (Rs). The Rs for MC-LR in this lake water was found to be 0.045 (±0.001) and 0.041 (±0.001) L per day for initial concentrations of 0.5 and 1.0 μg L-1. Estimated MC-LR concentrations from POCIS were generally higher than grab sampling results, especially at the outlet to the lake from late September to late October. This could possibly give a better picture of MC-LR concentrations in the lake; MC-LR concentrations can fluctuate substantially over short time periods. POCIS were able to detect MC-LR in the water stream when grab sampling resulted in non-detects (i.e., below detection limit of LC-MS/MS). The use of passive sampling for MC-LR could have beneficial implications for public health and toxicity testing by lowering detection limits for this chronically and acutely toxic chemical. The correlation of aqueous MC-LR concentrations to POCIS MC-LR concentrations needs further study.

Protein analysis can be used to efficiently detect the early stages of various diseases. However, conventional protein detection platforms require expensive or complex equipment, which has been a major obstacle to their widespread application. In addition, uncertain signals from non-specific adhesion interfere with the precise interpretation of the results. To overcome these problems, the development of a technique that can detect the proteins in a simple method is needed. In this study, a platform composed of gold nanoparticles (GNPs) was fabricated through a simple imprinting method for protein detection. The corrugated surface naturally formed by the nanoparticle assemblies simultaneously increases the efficiency of adhesion and binding with analytes and reduces undesired interactions. After forming the GNP micropatterns, post-functionalization with both cationic and neutral ligands was performed on the surface to manipulate their electrostatic interaction with proteins. Upon protein binding, the change in the electrical values of the micropatterns was recorded by using a resistance meter. The resistance of the positively charged micropatterns was found to increase due to the electrostatic interaction with proteins, while no significant change in resistance was observed for the neutral micropatterns after immersion in a protein solution. Additionally, the selective adsorption of fluorescent proteins onto the micropatterns was captured using confocal microscopy. These simply imprinted GNP micropatterns are sensitive platforms that can detect various analytes by measuring the electrical resistance with portable equipment.

With the emergence of over-the-top (OTT) services, consumers can enjoy broadcasting contents using personal computers, smartphones, and tablets whenever and wherever they want. Not only are traditional broadcasting service providers entering the OTT service market, but Internet service providers are as well, and they are competing with each other to achieve market power. We estimated consumers' preference for OTT service based on conjoint survey data, and conducted a market simulation based on the estimation result in order to analyze the change of market penetration ratio in accordance to the change of market strategy of each broadcasting service provider. As a result, consumers have the highest priority for real-time broadcasting. When the terrestrial television broadcasting service provider does not provide its contents to other service providers, Internet service providers and pay TV service providers can increase their market power by decreasing the price and by increasing the number of VODs respectively.

Switching cost is an important factor for policy makers to consider because it sets a higher price for locked-in consumers by making the market less competitive. Though there has been some empirical research analyzing switching costs in the mobile telecommunications market, studies considering the characteristics of smartphones, which have their own operating systems and applications, are still rare. In this study, we conduct a hypothetical conjoint survey to analyze switching cost in the smartphone handset market and derive the cost by using the hierarchical Bayesian multinomial logit model to consider respondents׳ heterogeneity. Switching costs of handsets and OS are empirically estimated, and the magnitudes depend on the levels of searching cost, learning cost, and uncertainty when purchasing new smartphones.