scholarly journals Predicting the impact of aqueous ions on fate and transport of munition compounds

2021 ◽  
Author(s):  
Timothy Schutt ◽  
Manoj Shukla
Keyword(s):  
Natural Waters ◽  
Fate And Transport ◽  
Interaction Energies ◽  
Model Framework ◽  
Naturally Occurring ◽  
Aqueous Ions ◽  
Fate And Transport Modeling ◽  
Primary Ions ◽  
The Impact ◽  
Related Compounds

A model framework for natural water has been developed using computational chemistry techniques to elucidate the interactions between solvated munition compounds and eight common ions in naturally occurring water sources. The interaction energies, residence times, coordination statistics, and surface preferences of nine munition related compounds with each ion were evaluated. The propensity of these interactions to increase degradation of the munition compound was predicted using accelerated replica QM/MM simulations. The degradation prediction data qualitatively align with previous quantum mechanical studies. The results suggest that primary ions of interest for fate and transport modeling of munition compounds in natural waters may follow the relative importance of SO₄²⁻, Cl⁻ ≫ HCO₃⁻, Na⁺, Mg²⁺ > Ca²⁺, K⁺, and NH₄⁺.

scholarly journals Numerical Modeling of Microbial Fate and Transport in Natural Waters: Review and Implications for Normal and Extreme Storm Events

Water ◽  
2020 ◽  
Vol 12 (7) ◽  
pp. 1876 ◽  
Author(s):  
Chelsea J. Weiskerger ◽  
Mantha S. Phanikumar
Keyword(s):  
Public Health ◽  
Water Quality ◽  
Natural Waters ◽  
Fate And Transport ◽  
Health Concern ◽  
Storm Events ◽  
Transport Simulation ◽  
The Face ◽  
Observable Data ◽  
Fate And Transport Modeling

Degradation of water quality in recreational areas can be a substantial public health concern. Models can help beach managers make contemporaneous decisions to protect public health at recreational areas, via the use of microbial fate and transport simulation. Approaches to modeling microbial fate and transport vary widely in response to local hydrometeorological contexts, but many parameterizations include terms for base mortality, solar inactivation, and sedimentation of microbial contaminants. Models using these parameterizations can predict up to 87% of variation in observed microbial concentrations in nearshore water, with root mean squared errors ranging from 0.41 to 5.37 log10 Colony Forming Units (CFU) 100 mL−1. This indicates that some models predict microbial fate and transport more reliably than others and that there remains room for model improvement across the board. Model refinement will be integral to microbial fate and transport simulation in the face of less readily observable processes affecting water quality in nearshore areas. Management of contamination phenomena such as the release of storm-associated river plumes and the exchange of contaminants between water and sand at the beach can benefit greatly from optimized fate and transport modeling in the absence of directly observable data.

Biotransformation of Coumarins by Filamentous Fungi: An Alternative Way for Achievement of Bioactive Analogs

2019 ◽  
Vol 16 (6) ◽  
pp. 568-577 ◽  
Author(s):  
Jainara Santos do Nascimento ◽  
João Carlos Silva Conceição ◽  
Eliane de Oliveira Silva
Keyword(s):  
Filamentous Fungi ◽  
Chemical Reactions ◽  
Biological Activities ◽  
Chemical Transformations ◽  
Chemical Structures ◽  
Pattern Structures ◽  
Pharmacological Interest ◽  
Aspergillus Sp ◽  
The Impact ◽  
Related Compounds

Coumarins are natural 1,2-benzopyrones, present in remarkable amounts as secondary metabolites in edible and medicinal plants. The low yield in the coumarins isolation from natural sources, along with the difficulties faced by the total synthesis, make them attractive for biotechnological studies. The current literature contains several reports on the biotransformation of coumarins by fungi, which can generate chemical analogs with high selectivity, using mild and eco-friendly conditions. Prompted by the enormous pharmacological interest in the coumarin-related compounds, their alimentary and chemical applications, this review covers the biotransformation of coumarins by filamentous fungi. The chemical structures of the analogs were presented and compared with those from the pattern structures. The main chemical reactions catalyzed the insertion of functional groups, and the impact on the biological activities caused by the chemical transformations were discussed. Several chemical reactions can be catalyzed by filamentous fungi in the coumarin scores, mainly lactone ring opening, C3-C4 reduction and hydroxylation. Chunninghamella sp. and Aspergillus sp. are the most common fungi used in these transformations. Concerning the substrates, the biotransformation of pyranocoumarins is a rarer process. Sometimes, the bioactivities were improved by the chemical modifications and coincidences with the mammalian metabolism were pointed out.

Impact of Chatbot in Transforming the Face of Retailing- An Empirical Model of Antecedents and Outcomes

2019 ◽  
Vol 12 ◽  
Author(s):  
Kumari Anshu ◽  
Loveleen Gaur ◽  
Arun Solanki
Keyword(s):  
Research Work ◽  
Shopping Behavior ◽  
Model Framework ◽  
Shopping Experience ◽  
The Face ◽  
Strongly Agree ◽  
Different Characteristics ◽  
Work Done ◽  
The Impact ◽  
Self Administered Questionnaire

Chatbot has emerged as a significant resolution to the swiftly growing customer caredemands in recent times. Chatbot has emerged as one of the biggest technological disruption. Simply speaking, it is a software agent facilitating interaction between computers and humans in natural language. So basically, it is a simulated, intellectual dialogue agent functional in a range of consumer engagement circumstances. It is the easiest and simplest means enable interaction between the retailers and the customers. </p><p> • Purpose- Most of the research work done in this field is concerned with their technical aspects. The recent research on chatbot pay little attention to the impact it is creating on users’ experience. Through this work, author is making an effort to know the customer-oriented impact that the chatbot bear on the shoppers. The purpose of this study is to develop and empirically test a framework that identify the customer oriented attributes of chatbot and impact of these attributes on customers. </p><p> • Objectives- The study intends to bridge the gap between concepts and actual attributes and applications on the subject of Chatbot. The following research objectives can address the various aspects of Chatbot affecting the different characteristics of consumers shopping behaviors: a) Identify the various attributes of chatbot that bears an impression on consumer shopping behavior. b) Evaluate the impact of chatbot on consumer shopping behavior that leads to the development of chatbot usage and adoption among the customer. </p><p> • Design/Methodology/Approach – For the purpose of analysis, author has administered Factor analysis and Multiple regression using SPSS version 23 for identification of various attributes of Chatbot and knowing their impact on shoppers. A self-administered questionnaire from the review of literature is developed. Industry experts in the field of retailing and academician evaluate the questionnaire. Primary information from the respondents is gathered using this questionnaire. The questionnaire comprises of Likert scale on a scale of 1 to 5 where 1 stands for strongly disagree and 5 stands for strongly agree. Data is collected from 126 respondents, out of which 111 respondents were finally considered for study and analysis purpose. </p><p> • Findings – The empirical results show that the study identifies various attributes of chatbot like Trust, Usefulness, Satisfaction, Readiness to Use and Accessibility. It is also found that chatbot is really influencing the customers in providing them with shopping experience, which can be very helpful to the businesses for increasing the sales and creating repurchase intention among the customers. </p><p> • Originality/value – The recent research on chatbot pay little attention to the impact it is creating on customers who are actually interacting with it on regular basis. The research paper extends information for understanding and appreciating the customer oriented attributes of artificially intelligent Chatbot. In this regard, the author has developed a model framework and proposed the attributes identified. Through the work, author is also making an effort to test empirically the impact of the identified attributes on the shoppers.

scholarly journals Reproduction in Trypanosomatids: Past and Present

Biology ◽  
2021 ◽  
Vol 10 (6) ◽  
pp. 471
Author(s):  
Camino Gutiérrez-Corbo ◽  
Bárbara Domínguez-Asenjo ◽  
María Martínez-Valladares ◽  
Yolanda Pérez-Pertejo ◽  
Carlos García-Estrada ◽  
...  
Keyword(s):  
Low Income ◽  
Phenotypic Diversity ◽  
Natural Populations ◽  
Genetic Exchange ◽  
Health Concern ◽  
Current Debate ◽  
Naturally Occurring ◽  
Experimental Works ◽  
Genomic Recombination ◽  
The Impact

Diseases caused by trypanosomatids (Sleeping sickness, Chagas disease, and leishmaniasis) are a serious public health concern in low-income endemic countries. These diseases are produced by single-celled parasites with a diploid genome (although aneuploidy is frequent) organized in pairs of non-condensable chromosomes. To explain the way they reproduce through the analysis of natural populations, the theory of strict clonal propagation of these microorganisms was taken as a rule at the beginning of the studies, since it partially justified their genomic stability. However, numerous experimental works provide evidence of sexual reproduction, thus explaining certain naturally occurring events that link the number of meiosis per mitosis and the frequency of mating. Recent techniques have demonstrated genetic exchange between individuals of the same species under laboratory conditions, as well as the expression of meiosis specific genes. The current debate focuses on the frequency of genomic recombination events and its impact on the natural parasite population structure. This paper reviews the results and techniques used to demonstrate the existence of sex in trypanosomatids, the inheritance of kinetoplast DNA (maxi- and minicircles), the impact of genetic exchange in these parasites, and how it can contribute to the phenotypic diversity of natural populations.

scholarly journals Impact of tailored water chemistry aqueous ions on foam stability enhancement

2021 ◽  
Author(s):  
Zuhair AlYousef ◽  
Subhash Ayirala ◽  
Majed Almubarak ◽  
Dongkyu Cha
Keyword(s):  
Aqueous Solutions ◽  
Water Chemistry ◽  
Foam Stability ◽  
Chloride Salt ◽  
Foam Generation ◽  
Monovalent Ions ◽  
Injection Water ◽  
Foam Stabilization ◽  
Aqueous Ions ◽  
The Impact

AbstractGenerating strong and stable foam is necessary to achieve in-depth conformance control in the reservoir. Besides other parameters, the chemistry of injection water can significantly impact foam generation and stabilization. The tailored water chemistry was found to have good potential to improve foam stability. The objective of this study is to extensively evaluate the effect of different aqueous ions in the selected tailored water chemistry formulations on foam stabilization. Bulk and dynamic foam experiments were used to evaluate the impact of different tailored water chemistry aqueous ions on foam generation and stabilization. For bulk foam tests, the stability of foams generated using three surfactants and different aqueous ions was analyzed using bottle tests. For dynamic foam experiments, the tests were conducted using a microfluidic device. The results clearly demonstrated that the ionic content of aqueous solutions can significantly affect foam stabilization. The results revealed that the foam stabilization in bulk is different than that in porous media. Depending on the surfactant type, the divalent ions were found to have stronger influence on foam stabilization when compared to monovalent ions. The bulk foam results pointed out that the aqueous solutions containing calcium chloride salt (CaCl2) showed longer foam life with the anionic surfactant and very weak foam with the nonionic surfactant. The solutions with magnesium chloride (MgCl2) and CaCl2 salts displayed higher impact on foam stability in comparison with sodium chloride (NaCl) with the amphoteric alkyl amine surfactant. Less stable foams were generated with aqueous solutions comprising of both magnesium and calcium ions. In the microfluidic model, the solutions containing MgCl2 showed higher resistance to gas flow and subsequently higher mobility reduction factor for the injection gas when compared to those produced using NaCl and CaCl2 salts. This experimental study focusing about the role of different aqueous ions in the injection water on foam could help in better understanding the foam stabilization process. The new knowledge gained can also enable the selection and optimization of the right injection water chemistry and suitable chemicals for foam field applications.

scholarly journals Exploitation of Marine-Derived Robust Biological Molecules to Manage Inflammatory Bowel Disease

Marine Drugs ◽  
2021 ◽  
Vol 19 (4) ◽  
pp. 196
Author(s):  
Muhammad Bilal ◽  
Leonardo Vieira Nunes ◽  
Marco Thúlio Saviatto Duarte ◽  
Luiz Fernando Romanholo Ferreira ◽  
Renato Nery Soriano ◽  
...  
Keyword(s):  
Inflammatory Bowel Disease ◽  
Bioactive Compounds ◽  
Bowel Disease ◽  
Clinical Translation ◽  
Biologically Active ◽  
Naturally Occurring ◽  
Inflammatory Bowel ◽  
Functional Features ◽  
Biological Entities ◽  
The Impact

Naturally occurring biological entities with extractable and tunable structural and functional characteristics, along with therapeutic attributes, are of supreme interest for strengthening the twenty-first-century biomedical settings. Irrespective of ongoing technological and clinical advancement, traditional medicinal practices to address and manage inflammatory bowel disease (IBD) are inefficient and the effect of the administered therapeutic cues is limited. The reasonable immune response or invasion should also be circumvented for successful clinical translation of engineered cues as highly efficient and robust bioactive entities. In this context, research is underway worldwide, and researchers have redirected or regained their interests in valorizing the naturally occurring biological entities/resources, for example, algal biome so-called “treasure of untouched or underexploited sources”. Algal biome from the marine environment is an immense source of excellence that has also been demonstrated as a source of bioactive compounds with unique chemical, structural, and functional features. Moreover, the molecular modeling and synthesis of new drugs based on marine-derived therapeutic and biological cues can show greater efficacy and specificity for the therapeutics. Herein, an effort has been made to cover the existing literature gap on the exploitation of naturally occurring biological entities/resources to address and efficiently manage IBD. Following a brief background study, a focus was given to design characteristics, performance evaluation of engineered cues, and point-of-care IBD therapeutics of diverse bioactive compounds from the algal biome. Noteworthy potentialities of marine-derived biologically active compounds have also been spotlighted to underlying the impact role of bio-active elements with the related pathways. The current review is also focused on the applied standpoint and clinical translation of marine-derived bioactive compounds. Furthermore, a detailed overview of clinical applications and future perspectives are also given in this review.

scholarly journals The Impact of Metabolic Scion–Rootstock Interactions in Different Grapevine Tissues and Phloem Exudates

Metabolites ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 349
Author(s):  
Sara Tedesco ◽  
Alexander Erban ◽  
Saurabh Gupta ◽  
Joachim Kopka ◽  
Pedro Fevereiro ◽  
...  
Keyword(s):  
Agronomic Traits ◽  
Phloem Exudate ◽  
Graft Union ◽  
Reciprocal Effect ◽  
Metabolic Markers ◽  
Interaction Studies ◽  
Metabolic Interactions ◽  
A Minor ◽  
The Impact ◽  
Related Compounds

In viticulture, grafting is used to propagate Phylloxera-susceptible European grapevines, thereby using resistant American rootstocks. Although scion–rootstock reciprocal signaling is essential for the formation of a proper vascular union and for coordinated growth, our knowledge of graft partner interactions is very limited. In order to elucidate the scale and the content of scion–rootstock metabolic interactions, we profiled the metabolome of eleven graft combination in leaves, stems, and phloem exudate from both above and below the graft union 5–6 months after grafting. We compared the metabolome of scions vs. rootstocks of homografts vs. heterografts and investigated the reciprocal effect of the rootstock on the scion metabolome. This approach revealed that (1) grafting has a minor impact on the metabolome of grafted grapevines when tissues and genotypes were compared, (2) heterografting affects rootstocks more than scions, (3) the presence of a heterologous grafting partner increases defense-related compounds in both scion and rootstocks in shorter and longer distances from the graft, and (4) leaves were revealed as the best tissue to search for grafting-related metabolic markers. These results will provide a valuable metabolomics resource for scion–rootstock interaction studies and will facilitate future efforts on the identification of metabolic markers for important agronomic traits in grafted grapevines.

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