bluuebunny/crossref_metadata_2025 huggingface dataset:
SUSSOL—Using Artificial Intelligence for Greener Solvent Selection and Substitution
Authors: Sels Hannes , De Smet Herwig , Geuens Jeroen
Published: July 2020

Solvents come in many shapes and types. Looking for solvents for a specific application can be hard, and looking for green alternatives for currently used nonbenign solvents can be even harder. We describe a new methodology for solvent selection and substitution, by applying Artificial Intelligence (AI) software to cluster a database of solvents based on their physical properties. The solvents are processed by a neural network, the Self-organizing Map of Kohonen, which results in a 2D map of clusters. The resulting clusters are validated both chemically and statistically and are presented in user-friendly visualizations by the SUSSOL (Sustainable Solvents Selection and Substitution Software) software. The software helps the user in exploring the solvent space and in generating and evaluating a list of possible alternatives for a specific solvent. The alternatives are ranked based on their safety, health, and environment scores. Cases are discussed to demonstrate the possibilities of our approach and to show that it can help in the search for more sustainable and greener solvents. The SUSSOL software makes intuitive sense and in most case studies, the software confirms the findings in literature, thus providing a sound platform for selecting the most sustainable solvent candidate.
Editorial for “Organometallic Chemistry” Section, in Journal Molecules
Authors: Szostak Michal
Published: July 2020

It is a great pleasure to assume the role of Editor-in-Chief for the “Organometallic Chemistry” Section of Molecules (https://www [...]
Theoretical Insight into the Reaction Mechanism and Kinetics for the Criegee Intermediate of anti-PhCHOO with SO2
Authors: Du Benni , Zhang Weichao
Published: July 2020

In this study, the density functional theory (DFT) and CCSD(T) method have been performed to gain insight into the possible products and detailed reaction mechanism of the Criegee intermediate (CI) of anti-PhCHOO with SO2 for the first time. The potential energy surfaces (PESs) have been depicted at the UCCSD(T)/6-311++G(d,p)//UB3LYP/6-311++G(d,p) levels of theory with ZPE correction. Two different five-membered ring adducts, viz., endo PhCHOOS(O)O (IM1) and exo PhCHOOS(O)O (IM2) have been found in the entrance of reaction channels. Both direct and indirect reaction pathways from IM1 and IM2 have been considered for the title reaction. Our calculations show that the formation of PhCHO+SO3 (P1) via indirect reaction pathways from IM1 is predominant in all the pathways, and the production of P1 via direct dissociation pathway of IM1 and indirect reaction pathways of IM2 cannot be neglected. Moreover, PhCOOH+SO2 (P2) initiated from IM2 is identified as the minor product. According to the kinetic calculation, the total rate constant for the anti-PhCHOO+SO2 reaction is estimated to be 6.98 × 10−10 cm3·molecule−1·s−1 at 298 K.
Novel Chrysin-De-Allyl PAC-1 Hybrid Analogues as Anticancer Compounds: Design, Synthesis, and Biological Evaluation
Authors: Al-Oudat Buthina A. , Ramapuram Hariteja , Malla Saloni , Audat Suaad A. , Hussein Noor , Len Jenna M. , Kumari Shikha , Bedi Mel F. , Ashby Charles R. , Tiwari Amit K.
Published: July 2020

New chrysin-De-allyl-Pac-1 hybrid analogues, tethered with variable heterocyclic systems (4a–4o), were rationally designed and synthesized. The target compounds were screened for in vitro antiproliferative efficacy in the triple-negative breast cancer (TNBC) cell line, MDA-MB-231, and normal human mammary epithelial cells (HMECs). Two compounds, 4g and 4i, had the highest efficacy and selectivity towards MDA-MB-231 cells, and thus, were further evaluated by mechanistic experiments. The results indicated that both compounds 4g and 4i induced apoptosis by (1) inducing cell cycle arrest at the G2 phase in MDA-MB-231 cells, and (2) activating the intrinsic apoptotic pathways in a concentration-dependent manner. Physicochemical characterizations of these compounds suggested that they can be further optimized as potential anticancer compounds for TNBC cells. Overall, our results suggest that 4g and 4i could be suitable leads for developing novel compounds to treat TNBC.
Examining Computer–Supported 3D Event Recreation for Enhancing Cognitive Load, Memorability, and Engagement
Authors: Cao Ruochen , Walsh James , Cunningham Andrew , Kohler Mark , Smith Ross T. , Thomas Bruce H.
Published: July 2020

Three-dimensional rendering technologies have long been utilized for explanatory purposes in scientific visualization and related areas. Their applications to wider fields, however, have often been limited. In this paper, we explore the use of 3D model and animation techniques, combined with narrative techniques, for recreating event-based information to aid understanding. An empirical experiment was conducted which examined the effectiveness of 3D model images and 3D animation videos compared to reading narratives in textual form. The results indicated that both forms of 3D graphical techniques positively supported users in terms of cognitive load, recall, and engagement over reading text.
L-Theanine Reduced the Development of Knee Osteoarthritis in Rats via Its Anti-Inflammation and Anti-Matrix Degradation Actions: In Vivo and In Vitro Study
Authors: Bai Hui , Zhang Zhiheng , Li Yue , Song Xiaopeng , Ma Tianwen , Liu Chunpeng , Liu Lin , Yuan Rui , Wang Xinyu , Gao Li
Published: July 2020

The etiology of osteoarthritis (OA) is multifactorial, with no effective disease-modifying-drugs. L-theanine has been reported to inhibit inflammatory responses in some diseases and this study aimed to investigate the effect of L-theanine on Interleukin-1(IL-1)β-stimulated chondrocytes, and in an injury-induced OA rat model. Primary chondrocytes were stimulated by IL-1β (10 ng/mL) for 24 h and then co-cultured with L-theanine for 24 h. The effects of L-theanine on IL-1β-stimulated expression of pro-inflammatory cytokines and hydrolytic enzyme were analyzed using Western blotting, quantitative polymerase chain reaction (q-PCR) and enzyme-linked immunosorbent assay (ELISA) kits. An immunofluorescence assay was used to detect nuclear factor kappa B (NF-κB) phosphorylation. OA was induced by anterior cruciate ligament transection (ACLT) surgery in rats and celecoxib was used as a positive control. OA severity was measured using the Osteoarthritis Research Society International (OARSI) grading system to describe histological changes. The results showed that L-theanine decreased the expression of pro-inflammatory mediators, including cyclooxygenase-2 (COX-2), prostaglandin E2 (PGE-2), inducible nitric oxide synthase (iNOS), and nitric oxide (NO), both in vivo and in vitro. L-theanine treatment inhibited IL-1β-induced upregulation of matrix metalloproteinases (MMP)-3 and MMP-13, as well as inhibited NF-κB p65 activation. In vivo animal model showed that L-theanine administration (200 mg/kg) significantly alleviated OA lesions and decreased OARSI score. Our data indicated that L-theanine decreased inflammatory cytokines and protected extracellular matrix degradation through inhibition of the NF-κB pathway, and L-theanine may be considered a promising therapeutic strategy in OA prevention.
Supplementation with Low Doses of a Cod Protein Hydrolysate on Glucose Regulation and Lipid Metabolism in Adults with Metabolic Syndrome: A Randomized, Double-Blind Study
Authors: Jensen Caroline , Fjeldheim Dale Hanna , Hausken Trygve , Hatlebakk Jan Gunnar , Brønstad Ingeborg , Lied Gülen Arslan , Hoff Dag Arne Lihaug
Published: July 2020

The risk of cardiovascular diseases and type 2 diabetes mellitus are increased in subjects with metabolic syndrome (MetS), and hydrolyzed fish protein may have favorable effects on metabolic health. Here, we investigated the effect of 8 weeks supplementation with 4 g of cod protein hydrolysate (CPH) on glucose metabolism, lipid profile and body composition in individuals with MetS in a double-blind, randomized intervention study with a parallel-group design. Subjects received a daily supplement of CPH (n = 15) or placebo (n = 15). Primary outcomes were serum fasting and postprandial glucose levels. Secondary outcomes were fasting and postprandial insulin and glucagon-like peptide 1 (GLP-1), fasting lipid concentrations and body composition. No difference was observed between CPH and placebo for insulin, glucose or GLP-1 after 8 weeks intervention. Fasting triacylglycerol decreased in both the CPH group and placebo group, with no change between groups. Fasting total cholesterol and low-density lipoprotein cholesterol decreased significantly within both groups from baseline to study end, but no difference was observed between the two groups. In conclusion, supplementing with a low dose of CPH in subjects with MetS for 8 weeks had no effect on fasting or postprandial levels of insulin, glucose or GLP-1, lipid profile or body composition.
Relative Validity of the HELIUS Food Frequency Questionnaire for Measuring Dietary Intake in Older Adult Participants of the Longitudinal Aging Study Amsterdam
Authors: Visser Marjolein , Elstgeest Liset E. M. , Winkens Laura H. H. , Brouwer Ingeborg A. , Nicolaou Mary
Published: July 2020

The aim of this study was to determine the relative validity of the HEalthy LIfe in an Urban Setting (HELIUS) food frequency questionnaire (FFQ) in assessing the dietary intake of energy, nutrients, and food groups of Dutch older men and women. In 2014–2015, 88 participants of the Longitudinal Aging Study Amsterdam aged 71.9 (SD 8.6) years completed the 238-item HELIUS FFQ and three 24-hour dietary recalls. The mean group-level bias in the intakes of energy, nutrients, and food groups between the two methods was assessed, as well as Pearson’s correlation coefficients and level of agreement using quintile distribution. For the intakes of energy and macronutrients, the group-level bias was ≤5%, Pearson’s correlation coefficients were moderate to good (ranging from 0.26 for total fat to 0.72 for alcohol), and agreement was moderate to high (classification in same or adjacent quintile ranging from 63% for energy, protein, and carbohydrate to 91% for alcohol). For most micronutrients and food groups, the relative validity was moderate (Pearson’s correlation coefficients between 0.3 and 0.5), with the lowest correlations for β-carotene (0.08), vitamin B1 (0.19), fish (0.14), and grains (0.24). In conclusion, for energy and macronutrients, most micronutrients, and most food groups, the relative validity of the HELIUS FFQ to assess dietary intake in Dutch older adults was acceptable to good.
The Role of Iron in Brain Development: A Systematic Review
Authors: McCann Samantha , Perapoch Amadó Marta , Moore Sophie E.
Published: July 2020

One-third of children falter in cognitive development by pre-school age. Iron plays an important role in many neurodevelopmental processes, and animal studies suggest that iron sufficiency in pregnancy and infancy is particularly important for neurodevelopment. However, it is not clear whether iron deficiency directly impacts developmental outcomes, and, if so, whether impact differs by timing of exposure or developmental domain. We searched four databases for studies on iron deficiency or iron supplementation in pregnancy, or at 0–6 months, 6–24 months, or 2–4 years of age. All studies included neurodevelopmental assessments in infants or children up to 4 years old. We then qualitatively synthesized the literature. There was no clear relationship between iron status and developmental outcomes across any of the time windows or domains included. We identified a large quantity of low-quality studies, significant heterogeneity in study design and a lack of research focused on pregnancy and early infancy. In summary, despite good mechanistic evidence for the role of iron in brain development, evidence for the impact of iron deficiency or iron supplementation on early development is inconsistent. Further high-quality research is needed, particularly within pregnancy and early infancy, which has previously been neglected.
Recommendations Based on Evidence by the Andalusian Group for Nutrition Reflection and Investigation (GARIN) for the Pre- and Postoperative Management of Patients Undergoing Obesity Surgery
Authors: Martínez-Ortega Antonio J. , Olveira Gabriel , Pereira-Cunill José L. , Arraiza-Irigoyen Carmen , García-Almeida José M. , Irles Rocamora José A. , Molina-Puerta María J. , Molina Soria Juan B. , Rabat-Restrepo Juana M. , Rebollo-Pérez María I. , Serrano-Aguayo María P. , Tenorio-Jiménez Carmen , Vílches-López Francisco J. , García-Luna Pedro P.
Published: July 2020

In order to develop evidence-based recommendations and expert consensus for nutrition management of patients undergoing bariatric surgery and postoperative follow-up, we conducted a systematic literature search using PRISMA methodology plus critical appraisal following the SIGN and AGREE-II procedures. The results were discussed among all members of the GARIN group, and all members answered a Likert scale questionnaire to assess the degree of support for every recommendation. Patients undergoing bariatric surgery should be screened preoperatively for some micronutrient deficiencies and treated accordingly. A VLCD (Very Low-Calorie Diet) should be used for 4–8 weeks prior to surgery. Postoperatively, a liquid diet should be maintained for a month, followed by a semi-solid diet also for one month. Protein requirements (1–1.5 g/kg) should be estimated using adjusted weight. Systematic use of specific multivitamin supplements is encouraged. Calcium citrate and vitamin D supplements should be used at higher doses than are currently recommended. The use of proton-pump inhibitors should be individualised, and vitamin B12 and iron should be supplemented in case of deficit. All patients, especially pregnant women, teenagers, and elderly patients require a multidisciplinary approach and specialised follow-up. These recommendations and suggestions regarding nutrition management when undergoing bariatric surgery and postoperative follow-up have direct clinical applicability.
Review of the Scientific and Institutional Capacity of Small Island Developing States in Support of a Bottom-up Approach to Achieve Sustainable Development Goal 14 Targets
Authors: Zitoun Rebecca , Sander Sylvia G. , Masque Pere , Perez Pijuan Saul , Swarzenski Peter W.
Published: July 2020

Capacity building efforts in Small Island Developing States (SIDS) are indispensable for the achievement of both individual and collective ocean-related 2030 agenda priorities for sustainable development. Knowledge of the individual capacity building and research infrastructure requirements in SIDS is necessary for national and international efforts to be effective in supporting SIDS to address nationally-identified sustainable development priorities. Here, we present an assessment of human resources and institutional capacities in SIDS United Nations (UN) Member States to help formulate and implement durable, relevant, and effective capacity development responses to the most urgent marine issues of concern for SIDS. The assessment highlights that there is only limited, if any, up-to-date information publicly available on human resources and research capacities in SIDS. A reasonable course of action in the future should, therefore, be the collection and compilation of data on educational, institutional, and human resources, as well as research capacities and infrastructures in SIDS into a publicly available database. This database, supported by continued, long-term international, national, and regional collaborations, will lay the foundation to provide accurate and up-to-date information on research capacities and requirements in SIDS, thereby informing strategic science and policy targets towards achieving the UN sustainable development goals (SDGs) within the next decade.
Molecular Aspects of COVID-19 Differential Pathogenesis
Authors: Rothan Hussin A. , Acharya Arpan , Reid St Patrick , Kumar Mukesh , Byrareddy Siddappa N.
Published: July 2020

In the absence of therapeutic interventions, and a possible vaccine candidate, the spread of COVID-19 disease and associated fatalities are on the rise. The high mutation frequency in the genomic material of these viruses supports their ability to adapt to new environments, resulting in an efficient alteration in tissue tropism and host range. Therefore, the coronavirus’ health threats could be relevant for the long-term. The epidemiological data indicate that age, sex, and cardio-metabolic disease have a significant impact on the spread and severity of COVID-19. In this review, we highlight recent updates on the pathogenesis of SARS-CoV-2 among men and women, including children. We also discuss the role of the cellular receptors and coreceptors used by the virus to enter host cells on differential infection among men, women, and cardio-metabolic patients.
Two New Putative Plant Viruses from Wood Metagenomics Analysis of an Esca Diseased Vineyard
Authors: Bertazzon Nadia , Chitarra Walter , Angelini Elisa , Nerva Luca
Published: July 2020

The concept of plant as a holobiont is now spreading among the scientific community and the importance to study plant-associated microorganisms is becoming more and more necessary. Along with bacteria and fungi, also viruses can play important roles during the holobiont-environment interactions. In grapevine, viruses are studied mainly as pathological agents, and many species (more than 80) are known to be able to replicate inside its tissues. In this study two new viral species associated with grape wood tissues are presented, one belongs to the Potyviridae family and one to the Bunyavirales order. Due to the ability of potyviruses to enhance heterologous virus replication, it will be important to assess the presence of such a virus in the grapevine population to understand its ecological role. Furthermore, the association of the cogu-like virus with esca symptomatic samples opens new questions and the necessity of a more detailed characterization of this virus.
Antimicrobial Effects against Oral Pathogens and Cytotoxicity of Glycyrrhiza uralensis Extract
Authors: Yang Song-Yi , Choi Yu-Ri , Lee Myung-Jin , Kang Min-Kyung
Published: July 2020

We aimed to evaluate the antimicrobial effects of Glycyrrhiza uralensis extract on Streptococcus mutans and Candida albicans and its biocompatibility for dental applications. The antimicrobial activity of the G. uralensis extracts at concentrations of 50, 100, 150, and 200 µg/mL was assessed using agar disk diffusion tests, counting the total number of colony-forming units (CFUs), spectrophotometric growth inhibitory assays, and microbial morphology observations using scanning electron microscopy (SEM; Merin, Carl Zeiss, Oberkochen, Germany). We measured the polyphenol and flavonoid contents of G. uralensis extracts using ultraviolet–visible spectrometry and the cytotoxicity of these extracts using an MTT (3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) assay. We identified that G. uralensis extracts had significant antimicrobial effects against S. mutans and C. albicans. The optical density of the experimental groups significantly decreased compared with that of the control group. SEM images revealed that the G. uralensis extract affected the morphology and density of S. mutans and C. albicans. The extract concentration of flavonoids, but not polyphenols, increased with increasing concentrations of the G. uralensis extract. Furthermore, cell viabilities were more than 70% for G. uralensis extracts with concentrations of 50 and 100 μg/mL. Naturally derived G. uralensis is biocompatible and exhibits an excellent antimicrobial effect against oral pathogens such as S. mutans and C. albicans. Thus, G. uralensis extracts can be used for the development of oral products that treat and prevent oral diseases.
Plant Molecular Farming: A Viable Platform for Recombinant Biopharmaceutical Production
Authors: Shanmugaraj Balamurugan , I. Bulaon Christine Joy , Phoolcharoen Waranyoo
Published: July 2020

The demand for recombinant proteins in terms of quality, quantity, and diversity is increasing steadily, which is attracting global attention for the development of new recombinant protein production technologies and the engineering of conventional established expression systems based on bacteria or mammalian cell cultures. Since the advancements of plant genetic engineering in the 1980s, plants have been used for the production of economically valuable, biologically active non-native proteins or biopharmaceuticals, the concept termed as plant molecular farming (PMF). PMF is considered as a cost-effective technology that has grown and advanced tremendously over the past two decades. The development and improvement of the transient expression system has significantly reduced the protein production timeline and greatly improved the protein yield in plants. The major factors that drive the plant-based platform towards potential competitors for the conventional expression system are cost-effectiveness, scalability, flexibility, versatility, and robustness of the system. Many biopharmaceuticals including recombinant vaccine antigens, monoclonal antibodies, and other commercially viable proteins are produced in plants, some of which are in the pre-clinical and clinical pipeline. In this review, we consider the importance of a plant- based production system for recombinant protein production, and its potential to produce biopharmaceuticals is discussed.
tasiR-ARFs Production and Target Regulation during In Vitro Maize Plant Regeneration
Authors: López-Ruiz Brenda Anabel , Juárez-González Vasti Thamara , Gómez-Felipe Andrea , De Folter Stefan , Dinkova Tzvetanka D.
Published: July 2020

During in vitro maize plant regeneration somatic cells change their normal fate and undergo restructuring to generate pluripotent cells able to originate new plants. Auxins are essential to achieve such plasticity. Their physiological effects are mediated by auxin response factors (ARFs) that bind auxin responsive elements within gene promoters. Small trans-acting (ta)-siRNAs, originated from miR390-guided TAS3 primary transcript cleavage, target ARF3/4 class (tasiR-ARFs). Here we found that TAS3b precursor as well as derived tasiR-ARFbD5 and tasiR-ARFbD6 display significantly lower levels in non-embryogenic callus (NEC), while TAS3g, miR390 and tasiR-ARFg are more abundant in the same tissue. However, Argonaute (AGO7) and leafbladeless 1 (LBLl) required for tasiR-ARF biogenesis showed significantly higher transcript levels in EC suggesting limited tasiR-ARF biogenesis in NEC. The five maize ARFs targeted by tasiR-ARFs were also significantly enriched in EC and accompanied by higher auxin accumulation with punctuate patterns in this tissue. At hormone half-reduction and photoperiod implementation, plant regeneration initiated from EC with transient TAS3g, miR390 and tasiR-ARFg increase. Upon complete hormone depletion, TAS3b became abundant and derived tasiR-ARFs gradually increased at further regeneration stages. ZmARF transcripts targeted by tasiR-ARFs, as well as AGO7 and LBL1 showed significantly lower levels during regeneration than in EC. These results indicate a dynamic tasiR-ARF mediated regulation throughout maize in vitro plant regeneration.
A Synopsis of Sardinian Studies: Why Is it Important to Work on Island Orchids?
Authors: Lussu Michele , Marignani Michela , Lai Roberta , Loi Maria Cecilia , Cogoni Annalena , Cortis Pierluigi
Published: July 2020

Biological and ecological investigations of islands are crucial to explain ecosystem functioning. Many studies on island biodiversity are carried out on oceanic islands. In contrast, information on continental islands, such as those in the Mediterranean Sea, is very often fragmented in space and time. Here, a synopsis of the Orchidaceae of Sardinia is presented based on literature surveys and recent botanical field studies. Our final list comprises of 64 species and 14 genera: thirteen species and subspecies were recognized as endemic and four new species were recorded for the flora of the island: Anacamptis palustris (Jacq.) R.M. Bateman, Pridgeon & M.W. Chase; Himantoglossum hircinum (L.) Spreng; Orchis italica Poir.; and Platanthera kuenkelei subsp. kuenkelei var. sardoa R.Lorenz, Akhalk., H.Baumann, Cortis, Cogoni & Scrugli. This orchid richness reflects the geological history of the island that was linked to the mainland several times, facing long periods of isolation. We also discuss a critical point-of-view of the biodiversity shortfalls still problematic for insular orchids. Indeed, within the Mediterranean Basin, the greatest amount of endemism occurs mainly on large islands, and, despite a long history of botanical exploration in European countries, many of them are scarcely investigated. This annotated synopsis shows the potential of continental islands to understand trends in ecology and evolution. Further studies are required to complete our knowledge of the orchid diversity on continental islands in order to propose scientific-based conservation programs to preserve these unique taxa.
Alternative Briquette Material Made from Palm Stem Biomass Mediated by Glycerol Crude of Biodiesel Byproducts as a Natural Adhesive
Authors: Helwani Zuchra , Ramli Muliadi , Rusyana Asep , Marlina Marlina , Fatra Warman , Idroes Ghazi Mauer , Suhendra Rivansyah , Ashwie Viqha , Mahlia Teuku Meurah Indra , Idroes Rinaldi
Published: July 2020

Recently, the global population has increased sharply, unfortunately, the availability of fossil fuel resources has significantly decreased. This phenomenon has become an attractive issue for many researchers in the world so that various studies in the context of finding renewable energy are developing continuously. Relating to this challenge, this research has been part of scientific work in the context of preparing an energy briquette employing palm oil stems and glycerol crude of biodiesel byproducts as inexpensive and green materials easily found in the Riau province, Indonesia. Technically, the palm oil stems are used for the production of charcoal particles and the glycerol crude as an adhesive compound in the production of energy briquettes. The heating value of palm oil stem is 17,180 kJ/kg, which can be increased to an even higher value through a carbonization process followed by a densification process so that it can be used as a potential matrix to produce energy briquettes. In detail, this study was designed to find out several parameters including the effect of sieve sizes consisting of 60, 80, and 100 mesh, respectively, which are used for the preparation of charcoal particles as the main matrix for the manufacture of the briquettes; the effect of charcoal-adhesive ratios (wt) of 60:40, 70:30, and 80:20; and the effect of varied pressures of 100, 110, and 120 kg/cm2 on the briquette quality. The quality of the obtained briquettes is analyzed through the observation of important properties which involve the heating value and the compressive strength using Response Surface Methodology (RSM). The results showed that the produced briquettes had an optimum heating value of 30,670 kJ/kg, while their loaded charcoal particles resulted from the mesh sieve of 80, in which there was a charcoal loading of 53 g and it pressed at 93.1821 bar, whereas, the compressive strength value of the briquette was 100,608 kg/cm2, which loaded charcoal particles from the mesh sieve of 100, the charcoal-adhesive ratio of 53:47 (wt) and the pressure of 93.1821 bar.
Studies on the Potential of Nonmodified and Metal Oxide-Modified Coal Fly Ash Zeolites For Adsorption of Heavy Metals and Catalytic Degradation of Organics for Waste Water Recovery
Authors: Boycheva Silviya , Zgureva Denitza , Miteva Simona , Marinov Ivan , Behunová Dominika , Trendafilova Ivalina , Popova Margarita , Václaviková Miroslava
Published: July 2020

A nanocrystalline zeolite of Na-X type (CFAZ) was synthesized by ultrasonic-assisted double stage fusion-hydrothermal alkaline conversion of lignite coal fly ash. Modified CFAZ with magnetic nanoparticles (MNP-CFAZ) was obtained by adding presynthesized magnetic nanoparticles between the synthesis stages. CFAZs loaded by particles of copper (Cu-CFAZ) and cobalt (Co-CFAZ) oxides were prepared by postsynthesis modification of the parent CFAZ, applying a wet impregnation technique. The parent and modified CFAZs were examined for their phase composition by X-ray diffraction, morphology by scanning electron microscopy, and surface characteristics by N2 physisorption. Comparative studies have been carried out on the adsorption capacity of the starting CFAZ and its derivatives with respect to Cd2+- and Pb2+-ions from aqueous solutions. Adsorption isotherms of Cd2+-ions on the studied samples were plotted and described by the adsorption equations of Langmuir, Freundlich, Langmuir–Freundlich, and Temkin. The best correlation between the experimental and model isotherms for the parent and modified CFAZ was found with the Langmuir linear model, assuming a monolayer adsorption mechanism. Parent and modified CFAZs were also studied as catalysts for heterogeneous thermal Fenton oxidation of methylene blue. At 90 °C, the higher catalytic activity exhibits the nonmodified sample, but with the decrease in temperature to 60 °C, the modified samples are more effective catalysts.
A Two-Patch Mathematical Model for Temperature-Dependent Dengue Transmission Dynamics
Authors: Kim Jung , Choi Yongin , Kim James , Lee Sunmi , Lee Chang
Published: July 2020

Dengue fever has been a threat to public health not only in tropical regions but non-tropical regions due to recent climate change. Motivated by a recent dengue outbreak in Japan, we develop a two-patch model for dengue transmission associated with temperature-dependent parameters. The two patches represent a park area where mosquitoes prevail and a residential area where people live. Based on climate change scenarios, we investigate the dengue transmission dynamics between the patches. We employ an optimal control method to implement proper control measures in the two-patch model. We find that blockage between two patches for a short-term period is effective in a certain degree for the disease control, but to obtain a significant control effect of the disease, a long-term blockage should be implemented. Moreover, the control strategies such as vector control and transmission control are very effective, if they are implemented right before the summer outbreak. We also investigate the cost-effectiveness of control strategies such as vaccination, vector control and virus transmission control. We find that vector control and virus transmission control are more cost-effective than vaccination in case of Korea.
A Novel Bearing Fault Diagnosis Method Based on GL-mRMR-SVM
Authors: Tang Xianghong , He Qiang , Gu Xin , Li Chuanjiang , Zhang Huan , Lu Jianguang
Published: July 2020

A convolutional neural network (CNN) has been used to successfully realize end-to-end bearing fault diagnosis due to its powerful feature extraction ability. However, the CNN is prone to focus on local information, ignoring the relationship between the whole and the part of the signal due to its unique structure. In addition, it extracts some fault features with poor robustness under noisy environment. A novel diagnosis model based on feature fusion and feature selection, GL-mRMR-SVM, is proposed to address this problem in this paper. First, the model combines the global features in the time-domain and frequency-domain of the raw data with the local features extracted by CNN to make full use of the signal information and overcome the weakness of traditional CNNs neglecting the overall signal. Then, the max-relevance min-redundancy (mRMR) algorithm is used to automatically extract the discriminative features from the fused features without any prior knowledge. Finally, the extracted discriminative features are input into the SVM for training and output the fault recognition results. The proposed GL-mRMR-SVM model was evaluated through experiments on bearing data of Case Western Reserve University (CWRU) and CUT-2 platform. The experimental results show that the proposed method is more effective than other intelligent diagnosis methods.
Spray Drying for the Preparation of Nanoparticle-Based Drug Formulations as Dry Powders for Inhalation
Authors: Malamatari Maria , Charisi Anastasia , Malamataris Stavros , Kachrimanis Kyriakos , Nikolakakis Ioannis
Published: July 2020

Nanoparticle-based therapeutics have been used in pulmonary formulations to enhance delivery of poorly water-soluble drugs, protect drugs against degradation and achieve modified release and drug targeting. This review focuses on the use of spray drying as a solidification technique to produce microparticles containing nanoparticles (i.e., nanoparticle (NP) agglomerates) with suitable properties as dry powders for inhalation. The review covers the general aspects of pulmonary drug delivery with emphasis on nanoparticle-based dry powders for inhalation and the principles of spray drying as a method for the conversion of nanosuspensions to microparticles. The production and therapeutic applications of the following types of NP agglomerates are presented: nanoporous microparticles, nanocrystalline agglomerates, lipid-based and polymeric formulations. The use of alternative spray-drying techniques, namely nano spray drying, and supercritical CO2-assisted spray drying is also discussed as a way to produce inhalable NP agglomerates.
Development of Indicator of Data Sufficiency for Feature-based Early Time Series Classification with Applications of Bearing Fault Diagnosis
Authors: Ahn Gilseung , Lee Hwanchul , Park Jisu , Hur Sun
Published: July 2020

Diagnosis of bearing faults is crucial in various industries. Time series classification (TSC) assigns each time series to one of a set of pre-defined classes, such as normal and fault, and has been regarded as an appropriate approach for bearing fault diagnosis. Considering late and inaccurate fault diagnosis may have a significant impact on maintenance costs, it is important to classify bearing signals as early and accurately as possible. TSC, however, has a major limitation, which is that a time series cannot be classified until the entire series is collected, implying that a fault cannot be diagnosed using TSC in advance. Therefore, it is important to classify a partially collected time series for early time series classification (ESTC), which is a TSC that considers both accuracy and earliness. Feature-based TSCs can handle this, but the problem is to determine whether a partially collected time series is enough for a decision that is still unsolved. Motivated by this, we propose an indicator of data sufficiency to determine whether a feature-based fault detection classifier can start classifying partially collected signals in order to diagnose bearing faults as early and accurately as possible. The indicator is trained based on the cosine similarity between signals that were collected fully and partially as input to the classifier. In addition, a parameter setting method for efficiently training the indicator is also proposed. The results of experiments using four benchmark datasets verified that the proposed indicator increased both accuracy and earliness compared with the previous time series classification method and general time series classification.
Optimization of Electrolysis Parameters for Green Sanitation Chemicals Production Using Response Surface Methodology
Authors: Khalid Nurul Izzah , Sulaiman Nurul Shaqirah , Ab Aziz Norashikin , Taip Farah Saleena , Sobri Shafreeza , Mahmud Ab Rashid Nor-Khaizura
Published: July 2020

Electrolyzed water (EW) shows great potential as a green and economical sanitation solution for the food industry. However, only limited studies have investigated the optimum electrolysis parameters and the bactericidal effect of acidic electrolyzed water (AcEW) and alkaline electrolyzed water (AlEW). Here, the Box–Behnken experimental design was used to identify the optimum parameters. The tests were conducted with different types of electrodes, electrical voltages, electrolysis times, and NaCl concentrations. There were no obvious differences observed in the physico-chemical properties of EW when different electrodes were used. However, stainless steel was chosen as it meets most of the selection criteria. The best-optimized conditions for AcEW were at 11.39 V, 0.65 wt.% NaCl, and 7.23 min, while the best-optimized conditions for AlEW were at 10.32 V, 0.6 wt.% NaCl, and 7.49 min. The performance of the optimum EW (AcEW and AlEW) compared with commercial cleaning detergents for the food industry was then evaluated. The bactericidal activity of AcEW and AlEW was examined against Escherichia coli ATCC 10536 at different temperatures (30 °C and 50 °C) for 30 s. The results show that both AcEW and AlEW have the ability to reduce the Escherichia coli to non-detectable levels (less than 2 log CFU/mL).
A Critical Review of Bottom-Up Proteomics: The Good, the Bad, and the Future of This Field
Authors: Dupree Emmalyn J. , Jayathirtha Madhuri , Yorkey Hannah , Mihasan Marius , Petre Brindusa Alina , Darie Costel C.
Published: July 2020

Proteomics is the field of study that includes the analysis of proteins, from either a basic science prospective or a clinical one. Proteins can be investigated for their abundance, variety of proteoforms due to post-translational modifications (PTMs), and their stable or transient protein–protein interactions. This can be especially beneficial in the clinical setting when studying proteins involved in different diseases and conditions. Here, we aim to describe a bottom-up proteomics workflow from sample preparation to data analysis, including all of its benefits and pitfalls. We also describe potential improvements in this type of proteomics workflow for the future.
Early Identification of Seed Maize and Common Maize Production Fields Using Sentinel-2 Images
Authors: Ren Tianwei , Liu Zhe , Zhang Lin , Liu Diyou , Xi Xiaojie , Kang Yanghui , Zhao Yuanyuan , Zhang Chao , Li Shaoming , Zhang Xiaodong
Published: July 2020

Accurate and timely access to the production area of crop seeds allows the seed market and secure seed supply to be monitored. Seed maize and common maize production fields typically share similar phenological development profiles with differences in the planting patterns, which makes it challenging to separate these fields from decametric-resolution satellite images. In this research, we proposed a method to identify seed maize production fields as early as possible in the growing season using a time series of remote sensing images in the Liangzhou district of Gansu province, China. We collected Sentinel-2 and GaoFen-1 (GF-1) images captured from March to September. The feature space for classification consists of four original bands, namely red, green, blue, and near-infrared (nir), and eight vegetation indexes. We analyzed the timeliness of seed maize identification using Sentinel-2 time series of different time spans and identified the earliest time frame for reasonable classification accuracy. Then, the earliest time series that met the requirements of regulatory accuracy were compared and analyzed. Four machine/deep learning algorithms were tested, including K-nearest neighbor (KNN), support vector classification (SVC), random forest (RF), and long short-term memory (LSTM). The results showed that using Sentinel-2 images from March to June, the RF and LSTM algorithms achieve over 88% accuracy, with the LSTM performing the best (90%). In contrast, the accuracy of KNN and SVC was between 82% and 86%. At the end of June, seed maize mapping can be carried out in the experimental area, and the precision can meet the basic requirements of monitoring for the seed industry. The classification using GF-1 images were less accurate and reliable; the accuracy was 85% using images from March to June. To achieve near real-time identification of seed maize fields early in the growing season, we adopted an automated sample generation approach for the current season using only historical samples based on clustering analysis. The classification accuracy using new samples extracted from historical mapping reached 74% by the end of the season (September) and 63% by the end of July. This research provides important insights into the classification of crop fields cultivated with the same crop but different planting patterns using remote sensing images. The approach proposed by this study enables near-real time identification of seed maize production fields within the growing season, which could effectively support large-scale monitoring of the seed supply industry.
Machine Learning Algorithms to Predict Tree-Related Microhabitats using Airborne Laser Scanning
Authors: Santopuoli Giovanni , Di Febbraro Mirko , Maesano Mauro , Balsi Marco , Marchetti Marco , Lasserre Bruno
Published: July 2020

In the last few years, the occurrence and abundance of tree-related microhabitats and habitat trees have gained great attention across Europe as indicators of forest biodiversity. Nevertheless, observing microhabitats in the field requires time and well-trained staff. For this reason, new efficient semiautomatic systems for their identification and mapping on a large scale are necessary. This study aims at predicting microhabitats in a mixed and multi-layered Mediterranean forest using Airborne Laser Scanning data through the implementation of a Machine Learning algorithm. The study focuses on the identification of LiDAR metrics useful for detecting microhabitats according to the recent hierarchical classification system for Tree-related Microhabitats, from single microhabitats to the habitat trees. The results demonstrate that Airborne Laser Scanning point clouds support the prediction of microhabitat abundance. Better prediction capabilities were obtained at a higher hierarchical level and for some of the single microhabitats, such as epiphytic bryophytes, root buttress cavities, and branch holes. Metrics concerned with tree height distribution and crown density are the most important predictors of microhabitats in a multi-layered forest.
Modeling and Multi-Temporal Characterization of Total Suspended Matter by the Combined Use of Sentinel 2-MSI and Landsat 8-OLI Data: The Pertusillo Lake Case Study (Italy)
Authors: Ciancia Emanuele , Campanelli Alessandra , Lacava Teodosio , Palombo Angelo , Pascucci Simone , Pergola Nicola , Pignatti Stefano , Satriano Valeria , Tramutoli Valerio
Published: July 2020

The total suspended matter (TSM) variability plays a crucial role in a lake’s ecological functioning and its biogeochemical cycle. Sentinel-2A MultiSpectral Instrument (MSI) and Landsat 8 Operational Land Instrument (OLI) data offer unique opportunities for investigating certain in-water constituents (e.g., TSM and chlorophyll-a) owing to their spatial resolution (10–60 m). In this framework, we assessed the potential of MSI–OLI combined data in characterizing the multi-temporal (2014–2018) TSM variability in Pertusillo Lake (Basilicata region, Southern Italy). We developed and validated a customized MSI-based TSM model (R2 = 0.81) by exploiting ground measurements acquired during specific measurement campaigns. The model was then exported as OLI data through an intercalibration procedure (R2 = 0.87), allowing for the generation of a TSM multi-temporal MSI–OLI merged dataset. The analysis of the derived multi-year TSM monthly maps showed the influence of hydrological factors on the TSM seasonal dynamics over two sub-regions of the lake, the west and east areas. The western side is more influenced by inflowing rivers and water level fluctuations, the effects of which tend to longitudinally decrease, leading to less sediment within the eastern sub-area. The achieved results can be exploited by regional authorities for better management of inland water quality and monitoring systems.
Spatio-Temporal Variability of Chlorophyll-A and Environmental Variables in the Panama Bight
Authors: Corredor-Acosta Andrea , Cortés-Chong Náyade , Acosta Alberto , Pizarro-Koch Matias , Vargas Andrés , Medellín-Mora Johanna , Saldías Gonzalo S. , Echeverry-Guerra Valentina , Gutiérrez-Fuentes Jairo , Betancur-Turizo Stella
Published: July 2020

The analysis of synoptic satellite data of total chlorophyll-a (Chl-a) and the environmental drivers that influence nutrient and light availability for phytoplankton growth allows us to understand the spatio-temporal variability of phytoplankton biomass. In the Panama Bight Tropical region (PB; 1–9°N, 79–84°W), the spatial distribution of Chl-a is mostly related to the seasonal wind patterns and the intensity of localized upwelling centers. However, the association between the Chl-a and different physical variables and nutrient availability is still not fully assessed. In this study, we evaluate the relationship between the Chl-a and multiple physical (wind, Ekman pumping, geostrophic circulation, mixed layer depth, sea level anomalies, river discharges, sea surface temperature, and photosynthetically available radiation) and chemical (nutrients) drivers in order to explain the spatio-temporal Chl-a variability in the PB. We used satellite data of Chl-a and physical variables, and a re-analysis of a biogeochemical product for nutrients (2002–2016). Our results show that at the regional scale, the Chl-a varies seasonally in response to the wind forcing and sea surface temperature. However, in the coastal areas (mainly Gulf of Panama and off central-southern Colombia), the maximum non-seasonal Chl-a values are found in association with the availability of nutrients by river discharges, localized upwelling centers and the geostrophic circulation field. From this study, we infer that the interplay among these physical-chemical drivers is crucial for supporting the phytoplankton growth and the high biodiversity of the PB region.
Comparing Groundwater Storage Changes in Two Main Grain Producing Areas in China: Implications for Sustainable Agricultural Water Resources Management
Authors: Zheng Longqun , Pan Yun , Gong Huili , Huang Zhiyong , Zhang Chong
Published: July 2020

Balancing groundwater supply and food production is challenging, especially in large regions where there is often insufficient information on the groundwater budget, such as in the North China Plain (NCP) and the Northeast China Plain (NECP), which are major food producing areas in China. This study aimed to understand this process in a simple but efficient way by using Gravity Recovery and Climate Experiment (GRACE) data, and it focused on historical and projected groundwater storage (GWS) changes in response to changes in grain-sown areas. The results showed that during 2003–2016, the GWS was depleted in the NCP at a rate of −17.2 ± 0.8 mm/yr despite a decrease in groundwater abstraction along with an increase in food production and a stable sown area, while in the NECP, the GWS increased by 2.3 ± 0.7 mm/yr and the groundwater abstraction, food production and the sown area also increased. The scenario simulation using GRACE-derived GWS anomalies during 2003–2016 as the baseline showed that the GWS changes in the NCP can be balanced (i.e., no decreasing trend in storage) by reducing the area of winter wheat and maize by 1.31 × 106 ha and 3.21 × 106 ha, respectively, or by reducing both by 0.93 × 106 ha. In the NECP, the groundwater can sustain an additional area of 0.62 × 106 ha of maize without a decrease in storage. The results also revealed that the current groundwater management policies cannot facilitate the recovery of the GWS in the NCP unless the sown ratio of drought-resistance wheat is increased from 90% to 95%. This study highlights the effectiveness of using GRACE to understanding the nexus between groundwater supply and food production at large scales.