bluuebunny/crossref_metadata_2025 huggingface dataset:
Hybridizing Deep Learning and Neuroevolution: Application to the Spanish Short-Term Electric Energy Consumption Forecasting
Authors: Divina Federico , Torres Maldonado José Francisco , García-Torres Miguel , Martínez-Álvarez Francisco , Troncoso Alicia
Published: August 2020

The electric energy production would be much more efficient if accurate estimations of the future demand were available, since these would allow allocating only the resources needed for the production of the right amount of energy required. With this motivation in mind, we propose a strategy, based on neuroevolution, that can be used to this aim. Our proposal uses a genetic algorithm in order to find a sub-optimal set of hyper-parameters for configuring a deep neural network, which can then be used for obtaining the forecasting. Such a strategy is justified by the observation that the performances achieved by deep neural networks are strongly dependent on the right setting of the hyper-parameters, and genetic algorithms have shown excellent search capabilities in huge search spaces. Moreover, we base our proposal on a distributed computing platform, which allows its use on a large time-series. In order to assess the performances of our approach, we have applied it to a large dataset, related to the electric energy consumption registered in Spain over almost 10 years. Experimental results confirm the validity of our proposal since it outperforms all other forecasting techniques to which it has been compared.
Ulvan, a Polysaccharide from Macroalga Ulva sp.: A Review of Chemistry, Biological Activities and Potential for Food and Biomedical Applications
Authors: Cindana Mo’o Faradila Ratu , Wilar Gofarana , Devkota Hari Prasad , Wathoni Nasrul
Published: August 2020

The species of green macroalga belonging to the genus Ulva (family: Ulvaceae) are utilized in various fields, from food supplements to biomedical applications. Ulvan, a polysaccharide obtained from various Ulva species, has shown various biological activities, including antioxidant, anti-inflammatory, anticancer, antibacterial, and antiviral activities. To obtain the polysaccharide ulvan that can be utilized in various fields, it is necessary to understand the critical points that affect its physicochemical nature, the extraction procedures, and the mechanism of action for biological activities. This article discusses the physicochemical properties, extraction, isolation and characterization procedures and benefits in food and biomedical applications of ulvan. In conclusion, ulvan from Ulva sp. has the potential to be used as a therapeutic agent and also as an additional ingredient in the development of tissue engineering procedures.
Pole Assignment for Active Vibration Control of Linear Vibrating Systems through Linear Matrix Inequalities
Authors: Belotti Roberto , Richiedei Dario , Tamellin Iacopo , Trevisani Alberto
Published: August 2020

This paper proposes a novel method for pole placement in linear vibrating systems through state feedback and rank-one control. Rather than assigning all the poles to the desired locations of the complex plane, the proposed method exactly assigns just the dominant poles, while the remaining ones are free to assume arbitrary positions within a pre-specified region in the complex plane. Therefore, the method can be referred to as “regional pole placement”. A two-stage approach is proposed to accomplish both the tasks. In the first stage, the subset of dominant poles is assigned to exact locations by exploiting the receptance method, formulated for either symmetric or asymmetric systems. Then, in the second stage, a first-order model formulated with a reduced state, together with the theory of Linear Matrix Inequalities, are exploited to cluster the subset of the unassigned poles into some stable regions of the complex plane while keeping unchanged the poles assigned in the first stage. The additional degrees of freedom in the choice of the gains, i.e., the non-uniqueness of the solution, is exploited through a semidefinite programming problem to reduce the control gains. The method is validated by means of four meaningful and challenging test-cases, also borrowed from the literature. The results are also compared with those of classic partial pole placement, to show the benefits and the effectiveness of the proposed approach.
The Impacts of Bedding Strength Parameters on the Micro-Cracking Morphology in Laminated Shale under Uniaxial Compression
Authors: Dou Fakai , Wang Jianguo , Leung Chunfai
Published: August 2020

The micro-cracking morphology in laminated shale formation plays a critical role in the enhancement of shale gas production, but the impacts of bedding strength parameters on micro-cracking morphology have not been well understood in laminated shale formation. This paper numerically investigated the initiation and evolution of micro-cracking morphology with bedding strength parameters in laminated shale under uniaxial compression. First, a two-dimensional particle flow model (PFC2D) was established for laminated shale. Then, the micro-mechanical parameters of this model were calibrated using stress-strain curves and final fracture morphology measured in the laboratory. Finally, the impacts of bedding strength parameters on the uniaxial compressive strength (UCS), crack type and the complexity of fracture network were analyzed quantitatively. Numerical simulation results indicate that the UCS of shale varies linearly with the bedding strength, especially when the shear failure of beddings is dominant. Matrix cracks mainly depend on bedding strength, while the generation of tensile cracks is determined by the shear-to-tensile strength ratio of beddings (STR). The shale with a higher STR is likely to produce a more complex fracture network. Therefore, the bedding strength parameters should be carefully evaluated when the initiation and evolution of micro-cracking morphology in laminated shale formation are simulated.
Bidirectional Quantum Communication through the Composite GHZ-GHZ Channel
Authors: Shuai Shuangshuang , Chen Na , Yan Bin
Published: August 2020

This paper solved the problem of transmitting quantum bits (qubits) in a multi-hop and bidirectional way. Considering that the Greenberger–Horne–Zeilinger (GHZ) states are less prone to the decoherence effects caused by the surrounding environment, we proposed a bidirectional quantum communication scheme based on quantum teleportation and the composite GHZ-GHZ states. On a multi-hop quantum path, different types of GHZ states are previously shared between the adjacent intermediate nodes. To implement qubit transmission, the sender and intermediate nodes perform quantum measurements in parallel, and then send their measurement results and the types of previously shared GHZ states to the receiver independently. Based on the received information, the receiver performs unitary operations on the local particle, thus retrieving the original qubit. Our scheme can avoid information leakage at the intermediate nodes and can reduce the end-to-end communication delay, in contrast to the hop-by-hop qubit transmission scheme.
Distance and Visual Angle of Line-of-Sight of a Small Drone
Authors: Li Kai Way , Sun Chang , Li Nailiang
Published: August 2020

Determining the distance of the line-of-sight (LOS) of a small drone is essential in both regulating drone operation and drone operator training considering public safety. A field experiment was conducted to determine the LOS distance and visual angle of a small drone. Human participants were requested to observe a drone in one of the predetermined locations in the air. They responded whether they could see and hear the drone using a five-point scale. It was found that auditory signals were insignificant in drone detection because most of the participants could not hear the drone while they could still see the drone in most of the test locations. Logistic regression analyses were conducted to predict the probability of catching the drone visually. Two models were built considering the “definitely yes” and “definitely or probably yes” criteria of visual detection. These models may be used to estimate the LOS distance and visual angle. Assuming a 50% probability of visual catching and the “definitely or probably yes” criterion, the distance and visual angle of the LOS for the Mavic Air drone without a protector were approximately 307 m and 0.065°, respectively.
A Novel Statistic-Based Corpus Machine Processing Approach to Refine a Big Textual Data: An ESP Case of COVID-19 News Reports
Authors: Chen Liang-Ching , Chang Kuei-Hu , Chung Hsiang-Yu
Published: August 2020

With developments of modern and advanced information and communication technologies (ICTs), Industry 4.0 has launched big data analysis, natural language processing (NLP), and artificial intelligence (AI). Corpus analysis is also a part of big data analysis. For many cases of statistic-based corpus techniques adopted to analyze English for specific purposes (ESP), researchers extracted critical information by retrieving domain-oriented lexical units. However, even if corpus software embraces algorithms such as log-likelihood tests, log ratios, BIC scores, etc., the machine still cannot understand linguistic meanings. In many ESP cases, function words reduce the efficiency of corpus analysis. However, many studies still use manual approaches to eliminate function words. Manual annotation is inefficient and time-wasting, and can easily cause information distortion. To enhance the efficiency of big textual data analysis, this paper proposes a novel statistic-based corpus machine processing approach to refine big textual data. Furthermore, this paper uses COVID-19 news reports as a simulation example of big textual data and applies it to verify the efficacy of the machine optimizing process. The refined resulting data shows that the proposed approach is able to rapidly remove function and meaningless words by machine processing and provide decision-makers with domain-specific corpus data for further purposes.
Synthesis of Micro- and Nanoparticles in Sub- and Supercritical Water: From the Laboratory to Larger Scales
Authors: Ruiz-Jorge F. , Portela J. R. , Sánchez-Oneto J. , Martínez de la Ossa E. J.
Published: August 2020

The use of micro- and nanoparticles is gaining more and more importance because of their wide range of uses and benefits based on their unique mechanical, physical, electrical, optical, electronic, and magnetic properties. In recent decades, supercritical fluid technologies have strongly emerged as an effective alternative to other numerous particle generation processes, mainly thanks to the peculiar properties exhibited by supercritical fluids. Carbon dioxide and water have so far been two of the most commonly used fluids for particle generation, the former being the fluid par excellence in this field, mainly, because it offers the possibility of precipitating thermolabile particles. Nevertheless, the use of high-pressure and -temperature water opens an innovative and very interesting field of study, especially with regards to the precipitation of particles that could hardly be precipitated when CO2 is used, such as metal particles with a considerable value in the market. This review describes an innovative method to obtain micro- and nanoparticles: hydrothermal synthesis by means of near and supercritical water. It also describes the differences between this method and other conventional procedures, the most currently active research centers, the types of particles synthesized, the techniques to evaluate the products obtained, the main operating parameters, the types of reactors, and amongst them, the most significant and the most frequently used, the scaling-up studies under progress, and the milestones to be reached in the coming years.
Evaluation on Rock Tensile Failure of the Brazilian Discs under Different Loading Configurations by Digital Image Correlation
Authors: Li Diyuan , Li Bang , Han Zhenyu , Zhu Quanqi
Published: August 2020

The fracture behavior of the disc specimens in the Brazilian test is closely related to the reliability and accuracy of the experimental results. To comprehensively investigate the effect of various loading methods and rock material types on the failure mechanism of the Brazilian discs, five different rock types tested with three typical loading methods were employed in this work. The digital image correlation (DIC) method was applied to record and analyze the strain and displacement field of the specimens during the loading process. Experimental results indicate that the peak load and deformation characteristics of the Brazilian discs are strongly affected by the loading types. The Brazilian test with the Chinese standard is evidently not suitable for measuring the tensile strength of rocks, and the other two testing methods may lead to an invalid failure mode for rock materials with high stiffness and tensile to compressive strength ratio. Furthermore, it revealed that the maximum equivalent stress point of a disc specimen is co-controlled by the material stiffness and its tensile–compression ratio. The present work shows that it is necessary to select a suitable loading configuration for each rock type in the Brazilian test.
Autonomous Monitoring of Line-to-Line Faults in Photovoltaic Systems by Feature Selection and Parameter Optimization of Support Vector Machine Using Genetic Algorithms
Authors: Eskandari Aref , Milimonfared Jafar , Aghaei Mohammadreza , Reinders Angèle H.M.E.
Published: August 2020

Photovoltaic (PV) monitoring and fault detection are very crucial to enhance the service life and reliability of PV systems. It is difficult to detect and classify the faults at the Direct Current (DC) side of PV arrays by common protection devices, especially Line-to-Line (LL) faults, because such faults are not detectable under high impedance fault and low mismatch conditions. If these faults are not diagnosed, they may significantly reduce the output power of PV systems and even cause fire catastrophe. Recently, many efforts have been devoted to detecting and classifying LL faults. However, these methods could not efficiently detect and classify the LL faults under high impedance and low mismatch. This paper proposes a novel fault diagnostic scheme in accordance with the two main stages. First, the key features are extracted via analyzing Current–Voltage (I–V) characteristics under various LL fault events and normal operation. Second, a genetic algorithm (GA) is used for parameter optimization of the kernel functions used in the Support Vector Machine (SVM) classifier and feature selection in order to obtain higher performance in diagnosing the faults in PV systems. In contrast to previous studies, this method requires only a small dataset for the learning process and it has a higher accuracy in detecting and classifying the LL fault events under high impedance and low mismatch levels. The simulation results verify the validity and effectiveness of the proposed method in detecting and classifying of LL faults in PV arrays even under complex conditions. The proposed method detects and classifies the LL faults under any condition with an average accuracy of 96% and 97.5%, respectively.
The Role of Weather during the Greek–Persian “Naval Battle of Salamis” in 480 B.C.
Authors: Zerefos Christos , Solomos Stavros , Melas Dimitris , Kapsomenakis John , Repapis Christos
Published: August 2020

The Battle of Salamis in 480 B.C. is one of the most important naval battles of all times. This work examines in detail the climatically prevailing weather conditions during the Persian invasion in Greece. We perform a climatological analysis of the wind regime in the narrow straits of Salamis, where this historic battle took place, based on available station measurements, reanalysis and modeling simulations (ERA5, WRF) spanning through the period of 1960–2019. Our results are compared to ancient sources before and during the course of the conflict and can be summarized as follows: (i) Our climatological station measurements and model runs describing the prevailing winds in the area of interest are consistent with the eyewitness descriptions reported by ancient historians and (ii) The ancient Greeks and particularly Themistocles must have been aware of the local wind climatology since their strategic plan was carefully designed and implemented to take advantage of the diurnal wind variation. The combination of northwest wind during the night and early morning, converging with a south sea breeze after 10:00 A.M., formed a “pincer” that aided the Greeks at the beginning of the clash in the morning, while it brought turmoil to the Persian fleet and prevented them to escape to the open sea in the early afternoon hours.
Effects of Elevated Air Temperature and CO2 on Maize Production and Water Use Efficiency under Future Climate Change Scenarios in Shaanxi Province, China
Authors: Saddique Qaisar , Khan Muhammad Imran , Habib ur Rahman Muhammad , Jiatun Xu , Waseem Muhammad , Gaiser Thomas , Mohsin Waqas Muhammad , Ahmad Ijaz , Chong Li , Cai Huanjie
Published: August 2020

The ongoing global warming and changing patterns of precipitation have significant implications for crop yields. Process-based models are the most commonly used method to assess the impacts of projected climate changes on crop yields. In this study, the crop-environment resource synthesis (CERES)-Maize 4.6.7 model was used to project the maize crop yield in the Shaanxi Province of China over future periods. In this context, the downscaled ensemble projections of 17 general circulation models (GCMs) under four representative concentration pathways (RCP 2.6, RCP 4.5, RCP 6.0, and RCP 8.5) were used as input for the calibrated CERES-Maize model. Results showed a negative correlation between temperature and maize yield in the study area. It is expected that each 1.0 °C rise in seasonal temperature will cause up to a 9% decrease in the yield. However, the influence of CO2 fertilization showed a positive response, as witnessed by the increase in the crop yield. With CO2 fertilization, the average increase in the maize crop yield compared to without CO2 fertilization per three decades was 10.5%, 11.6%, TA7.8%, and 6.5% under the RCP2.6, RCP4.5, RCP6.0, and RCP8.5 scenarios, respectively. An elevated CO2 concentration showed a pronounced positive impact on the rain-fed maize yield compared to the irrigated maize yield. The average water use efficiency (WUE) was better at elevated CO2 concentrations and improved by 7–21% relative to the without CO2 fertilization of the WUE. Therefore, future climate changes with elevated CO2 are expected to be favorable for maize yields in the Shaanxi Province of China, and farmers can expect further benefits in the future from growing maize.
Diatoms for Carbon Sequestration and Bio-Based Manufacturing
Authors: Sethi Deepak , Butler Thomas O. , Shuhaili Faqih , Vaidyanathan Seetharaman
Published: August 2020

Carbon dioxide (CO2) is a major greenhouse gas responsible for climate change. Diatoms, a natural sink of atmospheric CO2, can be cultivated industrially in autotrophic and mixotrophic modes for the purpose of CO2 sequestration. In addition, the metabolic diversity exhibited by this group of photosynthetic organisms provides avenues to redirect the captured carbon into products of value. These include lipids, omega-3 fatty acids, pigments, antioxidants, exopolysaccharides, sulphated polysaccharides, and other valuable metabolites that can be produced in environmentally sustainable bio-manufacturing processes. To realize the potential of diatoms, expansion of our knowledge of carbon supply, CO2 uptake and fixation by these organisms, in conjunction with ways to enhance metabolic routing of the fixed carbon to products of value is required. In this review, current knowledge is explored, with an evaluation of the potential of diatoms for carbon capture and bio-based manufacturing.
Toad Venom Antiproliferative Activities on Metastatic Melanoma: Bio-Guided Fractionation and Screening of the Compounds of Two Different Venoms
Authors: Soumoy Laura , Wells Mathilde , Najem Ahmad , Krayem Mohammad , Ghanem Ghanem , Hambye Stéphanie , Saussez Sven , Blankert Bertrand , Journe Fabrice
Published: August 2020

Melanoma is the most common cancer in young adults, with a constantly increasing incidence. Metastatic melanoma is a very aggressive cancer with a 5-year survival rate of about 22−25%. This is, in most cases, due to a lack of therapies which are effective on the long term. Hence, it is crucial to find new therapeutic agents to increase patient survival. Toad venoms are a rich source of potentially pharmaceutically active compounds and studies have highlighted their possible effect on cancer cells. We focused on the venoms of two different toad species: Bufo bufo and Rhinella marina. We screened the venom crude extracts, the fractions from crude extracts and isolated biomolecules by studying their antiproliferative properties on melanoma cells aiming to determine the compound or the combination of compounds with the highest antiproliferative effect. Our results indicated strong antiproliferative capacities of toad venoms on melanoma cells. We found that these effects were mainly due to bufadienolides that are cardiotonic steroids potentially acting on the Na+/K+ ATPase pump which is overexpressed in melanoma. Finally, our results indicated that bufalin alone was the most interesting compound among the isolated bufadienolides because it had the highest antiproliferative activity on melanoma cells.
Microalgae: A Promising Source of Valuable Bioproducts
Authors: Dolganyuk Vyacheslav , Belova Daria , Babich Olga , Prosekov Alexander , Ivanova Svetlana , Katserov Dmitry , Patyukov Nikolai , Sukhikh Stanislav
Published: August 2020

Microalgae are a group of autotrophic microorganisms that live in marine, freshwater and soil ecosystems and produce organic substances in the process of photosynthesis. Due to their high metabolic flexibility, adaptation to various cultivation conditions as well as the possibility of rapid growth, the number of studies on their use as a source of biologically valuable products is growing rapidly. Currently, integrated technologies for the cultivation of microalgae aiming to isolate various biologically active substances from biomass to increase the profitability of algae production are being sought. To implement this kind of development, the high productivity of industrial cultivation systems must be accompanied by the ability to control the biosynthesis of biologically valuable compounds in conditions of intensive culture growth. The review considers the main factors (temperature, pH, component composition, etc.) that affect the biomass growth process and the biologically active substance synthesis in microalgae. The advantages and disadvantages of existing cultivation methods are outlined. An analysis of various methods for the isolation and overproduction of the main biologically active substances of microalgae (proteins, lipids, polysaccharides, pigments and vitamins) is presented and new technologies and approaches aimed at using microalgae as promising ingredients in value-added products are considered.
Excretory/Secretory Metabolome of the Zoonotic Roundworm Parasite Toxocara canis
Authors: Wangchuk Phurpa , Lavers Owen , Wishart David S. , Loukas Alex
Published: August 2020

Toxocariasis is a zoonotic disease affecting humans that is predominantly caused by Toxocara canis and T. cati, primarily parasites of dogs and cats, respectively. Toxocara generally establishes long-term infections by co-opting its host’s physiological processes, while at the same time exploiting the nutritional environment. Adult stage T. canis reside in the gut of the definitive canine host where they employ a suite of strategies to combat intestinal immune responses by actively producing and releasing excretory-secretory products (ESPs). The protein component of T. canis ESPs has been widely studied, but characterisation of the non-protein ESP complement remains neglected. To characterize the secreted metabolome of Toxocara ESPs and to shed light on the parasite’s metabolic processes, we profiled the ESPs of T. canis using both gas chromatography (GC) and liquid chromatography (LC) mass spectrometry approaches. We successfully identified 61 small molecules, including 41 polar metabolites, 14 medium-long chain fatty acids (MLCFAs) and six short chain fatty acids (SCFAs). We identified talose, stearic acid and isovalerate as the major compounds belonging to the polar, MLCFA and SCFA chemical classes, respectively. Most of the 61 identified metabolites appear to have been produced by T. canis via three distinct metabolic pathways - fatty acid, amino acid and carbohydrate metabolism. The majority of the identified ESPs have known biological properties, especially as immunomodulators. However, there is limited/no information on the biological roles or applications of 31 ESP biomolecules, suggesting that these may have novel activities that merit further investigation.
Cellular Mechanisms of Melatonin: Insight from Neurodegenerative Diseases
Authors: Chen Dongmei , Zhang Tao , Lee Tae Ho
Published: August 2020

Neurodegenerative diseases are the second most common cause of death and characterized by progressive impairments in movement or mental functioning in the central or peripheral nervous system. The prevention of neurodegenerative disorders has become an emerging public health challenge for our society. Melatonin, a pineal hormone, has various physiological functions in the brain, including regulating circadian rhythms, clearing free radicals, inhibiting biomolecular oxidation, and suppressing neuroinflammation. Cumulative evidence indicates that melatonin has a wide range of neuroprotective roles by regulating pathophysiological mechanisms and signaling pathways. Moreover, melatonin levels are decreased in patients with neurodegenerative diseases. In this review, we summarize current knowledge on the regulation, molecular mechanisms and biological functions of melatonin in neurodegenerative diseases such as Alzheimer’s disease, Parkinson’s disease, Huntington’s disease, amyotrophic lateral sclerosis, vascular dementia and multiple sclerosis. We also discuss the clinical application of melatonin in neurodegenerative disorders. This information will lead to a better understanding of the regulation of melatonin in the brain and provide therapeutic options for the treatment of various neurodegenerative diseases.
The CARF Protein MM_0565 Affects Transcription of the Casposon-Encoded cas1-solo Gene in Methanosarcina mazei Gö1
Authors: Ulbricht Andrea , Nickel Lisa , Weidenbach Katrin , Vargas Gebauer Herman , Kießling Claudia , Förstner Konrad U. , Schmitz Ruth A.
Published: August 2020

Clustered Regularly Interspaced Short Palindromic Repeat (CRISPR) loci are found in bacterial and archaeal genomes where they provide the molecular machinery for acquisition of immunity against foreign DNA. In addition to the cas genes fundamentally required for CRISPR activity, a second class of genes is associated with the CRISPR loci, of which many have no reported function in CRISPR-mediated immunity. Here, we characterize MM_0565 associated to the type I-B CRISPR-locus of Methanosarcina mazei Gö1. We show that purified MM_0565 composed of a CRISPR-Cas Associated Rossmann Fold (CARF) and a winged helix-turn-helix domain forms a dimer in solution; in vivo, the dimeric MM_0565 is strongly stabilized under high salt stress. While direct effects on CRISPR-Cas transcription were not detected by genetic approaches, specific binding of MM_0565 to the leader region of both CRISPR-Cas systems was observed by microscale thermophoresis and electromobility shift assays. Moreover, overexpression of MM_0565 strongly induced transcription of the cas1-solo gene located in the recently reported casposon, the gene product of which shows high similarity to classical Cas1 proteins. Based on our findings, and taking the absence of the expressed CRISPR locus-encoded Cas1 protein into account, we hypothesize that MM_0565 might modulate the activity of the CRISPR systems on different levels.
Zinc Therapy in Early Alzheimer’s Disease: Safety and Potential Therapeutic Efficacy
Authors: Squitti Rosanna , Pal Amit , Picozza Mario , Avan Abofazl , Ventriglia Mariacarla , Rongioletti Mauro C. , Hoogenraad Tjaard
Published: August 2020

Zinc therapy is normally utilized for treatment of Wilson disease (WD), an inherited condition that is characterized by increased levels of non-ceruloplasmin bound (‘free’) copper in serum and urine. A subset of patients with Alzheimer’s disease (AD) or its prodromal form, known as Mild Cognitive Impairment (MCI), fail to maintain a normal copper metabolic balance and exhibit higher than normal values of non-ceruloplasmin copper. Zinc’s action mechanism involves the induction of intestinal cell metallothionein, which blocks copper absorption from the intestinal tract, thus restoring physiological levels of non-ceruloplasmin copper in the body. On this basis, it is employed in WD. Zinc therapy has shown potential beneficial effects in preliminary AD clinical trials, even though the studies have missed their primary endpoints, since they have study design and other important weaknesses. Nevertheless, in the studied AD patients, zinc effectively decreased non-ceruloplasmin copper levels and showed potential for improved cognitive performances with no major side effects. This review discusses zinc therapy safety and the potential therapeutic effects that might be expected on a subset of individuals showing both cognitive complaints and signs of copper imbalance.
Discovery of Sulfated Small Molecule Inhibitors of Matrix Metalloproteinase-8
Authors: Morla Shravan , Desai Umesh R.
Published: August 2020

Elevated matrix metalloproteinase-8 (MMP-8) activity contributes to the etiology of many diseases, including atherosclerosis, pulmonary fibrosis, and sepsis. Yet, very few small molecule inhibitors of MMP-8 have been identified. We reasoned that the synthetic non-sugar mimetics of glycosaminoglycans may inhibit MMP-8 because natural glycosaminoglycans are known to modulate the functions of various MMPs. The screening a library of 58 synthetic, sulfated mimetics consisting of a dozen scaffolds led to the identification of only two scaffolds, including sulfated benzofurans and sulfated quinazolinones, as promising inhibitors of MMP-8. Interestingly, the sulfated quinazolinones displayed full antagonism of MMP-8 and sulfated benzofuran appeared to show partial antagonism. Of the two, sulfated quinazolinones exhibited a >10-fold selectivity for MMP-8 over MMP-9, a closely related metalloproteinase. Molecular modeling suggested the plausible occupancy of the S1′ pocket on MMP-8 as the distinguishing feature of the interaction. Overall, this work provides the first proof that the sulfated mimetics of glycosaminoglycans could lead to potent, selective, and catalytic activity-tunable, small molecular inhibitors of MMP-8.
Virtual Reality Potentiates Emotion and Task Effects of Alpha/Beta Brain Oscillations
Authors: Schubring David , Kraus Matthias , Stolz Christopher , Weiler Niklas , Keim Daniel A. , Schupp Harald
Published: August 2020

The progress of technology has increased research on neuropsychological emotion and attention with virtual reality (VR). However, direct comparisons between conventional two-dimensional (2D) and VR stimulations are lacking. Thus, the present study compared electroencephalography (EEG) correlates of explicit task and implicit emotional attention between 2D and VR stimulation. Participants (n = 16) viewed angry and neutral faces with equal size and distance in both 2D and VR, while they were asked to count one of the two facial expressions. For the main effects of emotion (angry vs. neutral) and task (target vs. nontarget), established event related potentials (ERP), namely the late positive potential (LPP) and the target P300, were replicated. VR stimulation compared to 2D led to overall bigger ERPs but did not interact with emotion or task effects. In the frequency domain, alpha/beta-activity was larger in VR compared to 2D stimulation already in the baseline period. Of note, while alpha/beta event related desynchronization (ERD) for emotion and task conditions were seen in both VR and 2D stimulation, these effects were significantly stronger in VR than in 2D. These results suggest that enhanced immersion with the stimulus materials enabled by VR technology can potentiate induced brain oscillation effects to implicit emotion and explicit task effects.
The Use of Artificial Intelligence in the Differentiation of Malignant and Benign Lung Nodules on Computed Tomograms Proven by Surgical Pathology
Authors: Wan Yung-Liang , Wu Patricia , Huang Pei-Ching , Tsay Pei-Kwei , Pan Kuang-Tse , Trang Nguyen , Chuang Wen-Yu , Wu Ching-Yang , Lo ShihChung
Published: August 2020

The purpose of this work was to evaluate the performance of an existing commercially available artificial intelligence (AI) software system in differentiating malignant and benign lung nodules. The AI tool consisted of a vessel-suppression function and a deep-learning-based computer-aided-detection (VS-CAD) analyzer. Fifty patients (32 females, mean age 52 years) with 75 lung nodules (47 malignant and 28 benign) underwent low-dose computed tomography (LDCT) followed by surgical excision and the pathological analysis of their 75 nodules within a 3 month time frame. All 50 cases were then processed by the AI software to generate corresponding VS images and CAD outcomes. All 75 pathologically proven lung nodules were well delineated by vessel-suppressed images. Three (6.4%) of the 47 lung cancer cases, and 11 (39.3%) of the 28 benign nodules were ignored and not detected by the AI without showing a CAD analysis summary. The AI system/radiologists produced a sensitivity and specificity (shown in %) of 93.6/89.4 and 39.3/82.1 in distinguishing malignant from benign nodules, respectively. AI sensitivity was higher than that of radiologists, though not statistically significant (p = 0.712). Specificity obtained by the radiologists was significantly higher than that of the VS-CAD AI (p = 0.003). There was no significant difference between the malignant and benign lesions with respect to age, gender, pure ground-glass pattern, the diameter and location of the nodules, or nodules <6 vs. ≥6 mm. However, more part-solid nodules were proven to be malignant than benign (90.9% vs. 9.1%), and more solid nodules were proven to be benign than malignant (86.7% vs. 13.3%) with statistical significance (p = 0.001 and <0.001, respectively). A larger cohort and prospective study are required to validate the AI performance.
Neoadjuvant Intraperitoneal Chemotherapy in Patients with Pseudomyxoma Peritonei—A Novel Treatment Approach
Authors: Prabhu Aruna , Brandl Andreas , Wakama Satoshi , Sako Shouzou , Ishibashi Haruaki , Mizumoto Akiyoshi , Takao Nobuyuki , Noguchi Kousuke , Motoi Shunsuke , Ichinose Masumi , Liu Yang , Yonemura Yutaka
Published: August 2020

Neoadjuvant intravenous chemotherapy in patients with pseudomyxoma peritonei (PMP) has not shown convincing results. The effectiveness of neoadjuvant intraperitoneal (IP) chemotherapy has never been reported. This prospective, non-randomized phase II study included patients with PMP treated between May 2017 and December 2018, who were not considered suitable for primary cytoreductive surgery (CRS) and hyperthermic intraperitoneal chemotherapy (HIPEC). The majority of patients were treated with laparoscopic HIPEC (oxaliplatin 200 mg/m2, 60 min, 43 °C). IP chemotherapy was started 2 weeks after docetaxel 40 mg/m2 + cisplatin 40 mg/m2, accompanied by oral S1 (tegafur, gimeracil, and oteracil) (50 mg/m2) for 14 days, followed by one week rest. Clinical parameters and complications were recorded. In total, 22/27 patients qualified for CRS and HIPEC after neoadjuvant treatment. A complete cytoreduction (Completeness of cytoreduction Score 0/1) could be achieved in 54.5%. The postoperative morbidity rate was 13.6% and mortality was rate 4.5%. In total, 20/22 patients had major pathological tumor responses. The mean drop in CEA was 28.2% and in the peritoneal carcinomatosis index (PCI) was 2.6. Positive or suspicious cytology turned negative in 69.2% of patients. Thus, for PMP patients who were not amenable for primary surgery, the majority received complete cytoreduction after treatment with neoadjuvant IP chemotherapy, with satisfying tumor regression and with low complication rates. The oncological benefit in terms of survival with this new treatment regimen needs to be proven.
Identification and Validation of an Aspergillus nidulans Secondary Metabolite Derivative as an Inhibitor of the Musashi-RNA Interaction
Authors: Lan Lan , Liu Jiajun , Xing Minli , Smith Amber R. , Wang Jinan , Wu Xiaoqing , Appelman Carl , Li Ke , Roy Anuradha , Gowthaman Ragul , Karanicolas John , Somoza Amber D. , Wang Clay C. C. , Miao Yinglong , De Guzman Roberto , Oakley Berl R. , Neufeld Kristi L. , Xu Liang
Published: August 2020

RNA-binding protein Musashi-1 (MSI1) is a key regulator of several stem cell populations. MSI1 is involved in tumor proliferation and maintenance, and it regulates target mRNAs at the translational level. The known mRNA targets of MSI1 include Numb, APC, and P21WAF-1, key regulators of Notch/Wnt signaling and cell cycle progression, respectively. In this study, we aim to identify small molecule inhibitors of MSI1–mRNA interactions, which could block the growth of cancer cells with high levels of MSI1. Using a fluorescence polarization (FP) assay, we screened small molecules from several chemical libraries for those that disrupt the binding of MSI1 to its consensus RNA. One cluster of hit compounds is the derivatives of secondary metabolites from Aspergillus nidulans. One of the top hits, Aza-9, from this cluster was further validated by surface plasmon resonance and nuclear magnetic resonance spectroscopy, which demonstrated that Aza-9 binds directly to MSI1, and the binding is at the RNA binding pocket. We also show that Aza-9 binds to Musashi-2 (MSI2) as well. To test whether Aza-9 has anti-cancer potential, we used liposomes to facilitate Aza-9 cellular uptake. Aza-9-liposome inhibits proliferation, induces apoptosis and autophagy, and down-regulates Notch and Wnt signaling in colon cancer cell lines. In conclusion, we identified a series of potential lead compounds for inhibiting MSI1/2 function, while establishing a framework for identifying small molecule inhibitors of RNA binding proteins using FP-based screening methodology.
Total Oxidation of Toluene and Propane over Co3O4 Catalysts: Influence of Precipitating pH and Washing
Authors: Driouch Imane , Zhang Weidong , Heitz Michèle , Valverde Jose Luis , Giroir-Fendler Anne
Published: August 2020

A series of Co3O4 catalysts were synthesized by an ammonia precipitation method at various precipitating pH values (8.0, 8.5, 9.0, 9.5, and 10.0) and with different numbers of washings. Their performance in the total oxidation of two selected hydrocarbons, toluene and propane, was evaluated at a reactant/oxygen molar ratio of 1/210 and a Weight Hourly Space Velocity (WHSV) of 40,000 mL g−1 h−1. The physicochemical properties of the catalysts were characterized by thermogravimetric and differential thermal analysis (TG/DTA), Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD) and N2 absorption–desorption. The results show that the catalysts are in the cubic spinel phase (Fd-3m (227), a = 8.0840 Å) with average crystalline sizes of 29−40 nm and specific surface areas of 12–20 m2 g−1. All catalysts allowed 100% conversion of both toluene and propane at temperatures below 350 °C. The precipitating pH and the number of washings were observed to significantly affect the catalytic performance. The optimal synthesis condition was established to be pH 8.5 with two washings. The best catalyst gave 100% conversion of toluene and propane at 306 °C and 268 °C, respectively.
Unravelling the Mechanisms that Drive the Performance of Photocatalytic Hydrogen Production
Authors: San Martín Sergio , Rivero Maria J. , Ortiz Inmaculada
Published: August 2020

The increasing interest and applications of photocatalysis, namely hydrogen production, artificial photosynthesis, and water remediation and disinfection, still face several drawbacks that prevent this technology from being fully implemented at the industrial level. The need to improve the performance of photocatalytic processes and extend their potential working under visible light has boosted the synthesis of new and more efficient semiconductor materials. Thus far, semiconductor–semiconductor heterojunction is the most remarkable alternative. Not only are the characteristics of the new materials relevant to the process performance, but also a deep understanding of the charge transfer mechanisms and the relationship with the process variables and nature of the semiconductors. However, there are several different charge transfer mechanisms responsible for the activity of the composites regardless the synthesis materials. In fact, different mechanisms can be carried out for the same junction. Focusing primarily on the photocatalytic generation of hydrogen, the objective of this review is to unravel the charge transfer mechanisms after the in-depth analyses of already reported literature and establish the guidelines for future research.
Synthesis and Characterization of New Imidazole Phthalocyanine for Photodegradation of Micro-Organic Pollutants from Sea Water
Authors: Jamoussi Bassem , Chakroun Radhouane , Timoumi Abdelmajid , Essalah Khaled
Published: August 2020

In this study, a series of new metal phthalocyanines with imidazole function MPc(Imz) (M: Cd, Hg, Zn and Pd) were synthesized to improve the photocatalyst performances. All physical properties such as total energy, HOMO, LUMO energies of MPc(Imz), as well as their vibrational frequencies have been determined by DFT method using B3LYP theory level at 6-311G (d, p) and sdd basis set. The gap of energy level between work function (WF) of ITO and LUMO of PdPc(Imdz) was 1.53 eV and represents the highest barrier beneficial to electron injection compared to WF of ZnPc(Imz), HgPc(Imz), and CdPc(Imz). Furthermore, the PdPc(Imdz) thin films on indium tin oxide (ITO) glass were prepared by spin coating and vacuum evaporation technique, and were characterized by X-ray diffraction (XRD), surface electron morphology (SEM), atomic force microscopy (AFM), and UV–Vis spectroscopy. The photocatalytic activity of the ITO/glass supported thin films and degradation rates of chlorinated phenols in synthetic seawater, under visible light irradiation were optimized to achieve conversions of 80–90%. Experiments on synthetic seawater samples showed that the chloride-specific increase in photodegradation could be attributed to photochemically generated chloride radicals rather than other photoproduced reactive intermediates [e.g., excited-state triplet PdPc(Imz) (3PdPc(Imz)*), reactive oxygen species]. The major 2,3,4,5-Tetrachlorophenol degradation intermediates identified by gas chromatography-mass spectrometry (GC/MS) were 2,3,5-Trichlorophenol, 3,5-dichlorophenol, dichlorodihydroxy-benzene and 3,4,5-trichlorocatechol.
Application of Novel C-TiO2-CFA/PAN Photocatalytic Membranes in the Removal of Textile Dyes in Wastewater
Authors: Mpelane Amkelwa , Katwire David M. , Mungondori Henry H. , Nyamukamba Pardon , Taziwa Raymond T.
Published: August 2020

The existence of dye effluent in environmental water bodies is becoming a growing concern to environmentalists and civilians due to negative health effects. In this study, a novel poly(acrylonitrile)-membrane-supported carbon-doped titanium dioxide–coal fly ash nanocomposite (C-TiO2-CFA/PAN) was prepared and evaluated in the removal of textiles dyes (methyl orange and golden yellow) in water. The C-TiO2-CFA nanocomposite was prepared via sol-gel synthesis and immobilized on PAN membrane prepared via phase inversion technique. The photocatalyst was characterized by FTIR, XRD, BET surface area analysis, SEM, EDX, and DRS. FTIR analysis confirmed the existence of the expected functional groups, and XRD revealed that the C-TiO2 was predominantly in the anatase phase, which exhibited the highest photocatalytic activity. The optimum C-TiO2-CFA photocatalyst load on the PAN membrane was 2% w/w, and it achieved degradation efficiencies of 99.86% and 99.20% for MO and GY dyes, respectively, at pH 3.5, using a dye concentration of 10 ppm, under sunlight irradiation, in 300 min. The novel 2% C-TiO2-CFA/PAN photocatalytic membrane proved to be very effective in the removal of textile dyes’ water. Three reusability cycles were carried out, and no significant changes were observed in the photocatalytic efficiencies. Immobilization on PAN membrane allowed easy recovery and reuse of the photocatalyst.
A DFT Investigation on the Origins of Solvent-Dependent Polysulfide Reduction Mechanism in Rechargeable Li-S Batteries
Authors: Du Guan-Ying , Liu Chi-You , Li Elise Y.
Published: August 2020

The lithium-sulfur (Li-S) battery is one of the promising energy storage alternatives because of its high theoretical capacity and energy density. Factors governing the stability of polysulfide intermediates in Li-S batteries are complex and are strongly affected by the solvent used. Herein, the polysulfide reduction and the bond cleavage reactions are calculated in different solvent environments by the density functional theory (DFT) methods. We investigate the relationship between the donor numbers (DN) as well as the dielectric constants (ε) of the solvent system and the relative stability of different polysulfide intermediates. Our results show that the polysulfide reduction mechanism is dominated by its tendency to form the ion-pair with Li+ in different organic solvents.
Boosting the Activity and Stability of Copper Tungsten Nanoflakes toward Solar Water Oxidation by Iridium-Cobalt Phosphates Modification
Authors: Li Chao , Diao Peng
Published: August 2020

Severe interfacial electron–hole recombination greatly limits the performance of CuWO4 photoanode towards the photoelectrochemical (PEC) oxygen evolution reaction (OER). Surface modification with an OER cocatalyst can reduce electron–hole recombination and thus improve the PEC OER performance of CuWO4. Herein, we coupled CuWO4 nanoflakes (NFs) with Iridium–cobalt phosphates (IrCo-Pi) and greatly improved the photoactivity of CuWO4. The optimized photocurrent density for CuWO4/IrCo-Pi at 1.23 V vs. reversible hydrogen electrode (RHE) rose to 0.54 mA∙cm−2, a ca. 70% increase over that of bare CuWO4 (0.32 mA∙cm−2). Such improved photoactivity was attributed to the enhanced hole collection efficiency, which resulted from the reduced charge-transfer resistance via IrCo-Pi modification. Moreover, the as-deposited IrCo-Pi layer well coated the inner CuWO4 NFs and effectively prevented the photoinduced corrosion of CuWO4 in neutral potassium phosphate (KPi) buffer solution, eventually leading to a superior stability over the bare CuWO4. The facile preparation of IrCo-Pi and its great improvement in the photoactivity make it possible to design an efficient CuWO4/cocatalyst system towards PEC water oxidation.