bluuebunny/crossref_metadata_2025_split huggingface dataset:
Evaluation of bottled water quality by determining nitrate concentration
Authors: Fortunato María Susana , González Ana Julieta , Tellechea María Florencia , Reynoso Mariano Humberto , Vallejos Favia , Donaire Andrea Natalia , Korol Sonia Edith , Gallego Alfredo 
Published: July 2020

Abstract
The presence of nitrate in sources of drinking water is a matter of concern because of its potential risk for human health. In many countries like Argentina, an increasing proportion of the population chooses to consume bottled water, among other reasons, for lack of water access. The present study was conducted (a) to evaluate the quality of bottled waters by determining nitrate concentration, (b) to relate bottled water quality with water access, (c) to analyze public awareness about bottled water quality and consumption habits of the population in the urban area of Buenos Aires. Two locations were selected, Ciudad Autónoma de Buenos Aires (C.A.B.A.) and Malvinas Argentinas in Buenos Aires Province (PBA), with percentages of water access of 99.6% and 8.8%, respectively. Random samples from both locations (n = 100) were analyzed. A survey was conducted in order to inquire about perception of population on bottled water quality and their consumption habits. In C.A.B.A., no sample exceeded the 45 mg/L limit value in force in Argentina, while in Malvinas Argentinas, 34% of the brands analyzed showed values above it. The survey revealed that 71.7% of people consume bottled water. While people in C.A.B.A. do so mainly out of habit, safety is the priority in PBA.
Modelling impact of future climate and land use land cover on flood vulnerability for policy support – Hyderabad, India
Authors: Vemula Swathi , Srinivasa Raju K. , Sai Veena S. 
Published: July 2020

Abstract
The study analyses the impact of climate change and land use land cover (LULC) on runoff of Hyderabad city, India for the years 1995, 2005, 2016 and 2031. Flood vulnerability was evaluated for extreme historic and future rainfall events. Maximum daily rainfalls of 132, 181 and 165 mm that occurred in the decades of 1990–2000, 2001–2010 and 2011–2016 were considered for historic rainfall–runoff modelling. Complementarily in climate change, maximum daily rainfall of 266 mm predicted during 2020–2040 by Geophysical Fluid Dynamics Laboratory-Coupled Model 3 (GFDL-CM3) Representative Concentration Pathway (RCP) 2.6, was analysed for rainfall-runoff scenario in 2031. LULC was assessed from historic maps and the master plan of the city. Peak runoff was modelled in Storm Water Management Model (SWMM) for corresponding daily rainfall and LULC. The floodplain of the river Musi was modelled in Hydrological Engineering Center-River Analysis System (HEC-RAS). Results showed that changing rainfall and LULC increased peak runoff by three times, and flood depth in the river increased by 22% from 1995 to 2031. In 2016 and 2031, 48 and 51% of the city was highly vulnerable. Five detention basins were proposed to combat increasing runoff, due to which highly vulnerable areas reduced by 8% in 2016 and 9% in 2031.
Assessment of cytotoxic and genotoxic effects of Yamuna river water pollutants in an urban metropolis, Delhi (India)
Authors: Siddiqui Zahid Hameed , Wattal Ratnum Kaul , Batchu Hareramadas , Abbas Zahid Khorshid 
Published: July 2020

Abstract
The present study evaluates the hazardous effects of water pollutants present in the River Yamuna, the lifeline of Delhi. This was done by collecting water samples from seven sites on the River Yamuna, and studying their water quality parameters (WQP). In all cases, tap water was taken as the control, and WQP like pH, salinity, electrical conductivity (EC), etc. were measured. At site 1, water was slightly alkaline, whereas maximum salinity was found at site 4. The TDS, EC, and turbidity at site 5 were found to be the highest among the studied sites. Further, water samples were used to examine the cytotoxic and genotoxic effect of pollutants in the root tip cells of Allium cepa after three and seven day's growth. There was a sharp decline in root length and root number down stream. Moreover, the squash preparations showed significant abnormalities; at the cellular level, cell shape and sizes show undesirable changes. At nuclear level binucleate cells, lobulated nuclei, micronuclei at site 3, 4, and 7 were recorded. The chromosomal abnormalities included chromosomal bridges, chromosomal loss, and abnormal orientation at different sites. This report is a cause for significant concern as the River Yamuna is Delhi's primary source of water supply for domestic, agricultural, industrial, energy, and many other purposes.
Performance of ozone and peroxone on the removal of endocrine disrupting chemicals (EDCs) coupled with cost analysis
Authors: Olmez-Hanci T. , Dogruel S. , Emek A. D. Allar , Yılmazer C. Eropak , Çınar S. , Kiraz O. , Citil E. , Orhon A. Koc , Siltu E. , Gucver S. M. , Ozgun O. Karahan , Tanik A. , Yetis U. 
Published: July 2020

AbstractMicropollutants such as endocrine disruptors are one of the most important groups of chemicals polluting water resources. Conventional treatment systems may not be effective for the removal of endocrine disrupting chemicals (EDCs), and the fate of these chemicals should be carefully monitored in the effluent of wastewater treatment plants (WWTPs). Additional treatment methods such as advanced oxidation processes can be used for the removal of endocrine disruptors. This study presents the existence of endocrine disruptors in 4 different effluents: (i) municipal WWTP effluent, (ii) textile industry WWTP effluent, (iii) organized industrial zone (OIZ) WWTP effluent and (iv) pharmaceutical industry discharge and also presents their removal efficiencies by ozonation and peroxone oxidation. A broad spectrum of removal efficiencies was observed for the EDCs present in the samples since the oxidation efficiency of wastewaters containing EDCs mainly depends on the wastewater matrix and on the type of the EDCs. Ozonation was found to be a lower-cost option than peroxone oxidation at the investigated conditions.
Unveiling the Anti-tubercular Properties of Biscoumarins, through Biological Evaluation and Docking Studies
Authors: Acharya Poornima , Ramana M.M.V. , Upadhyay Manish , Pavale Ganesh 
Published: July 2020

Background:
Biscoumarin scaffolds are known for their promising pharmacological
properties. These compounds have not been studied for their activity against tuberculosis strains.

Objective:
Unveil the antitubercular properties of biscoumarin scaffolds.

Methods:
Biscoumarin derivatives (3a-3l) were synthesized using lemon juice as a catalyst and
were investigated for their in-vitro anti-tubercular activity against the H37Rv strain of Mycobacterium
tuberculosis using Microplate Alamar Blue Assay Method (MABA). Their binding interaction
was investigated by Molecular Docking Studies using InhA with PDB-ID: 2NSD as target receptors
in the H37Rv strain of Mycobacterium tuberculosis. These derivatives (3a-3l) were subjected to the
neutrophil function test.

Results:
The results revealed that compounds 3b, 3c, 3d, 3f, 3i, 3j showed excellent activity with
MIC 1.6μg/mL. Molecular docking interactions for their antitubercular activity proved that the derivatives
(3a-3l) can easily bind into the pockets of the enzyme. Neutrophil function test signified
that they exhibit moderate neutrophil functions assuring that they do not harm the functioning of
Neutrophils.

Conclusion:
These studies have awakened the property of Biscoumarins as promising antitubercular
scaffolds.
Virtual Compound Screening and Molecular Dynamics to Identify New Inhibitors for Human Glutathione Reductase
Authors: Sargolzaei Mohsen 
Published: July 2020

Background:
Oxidative stress is a defense mechanism against malarial intracellular parasite
infection. On the other hand, the Human glutathione reductase enzyme reduces oxidative stress
in the cells, making the inhibitors of this enzyme a promising candidate for malaria treatment.

Objective:
Rational drug design was used in this work to plan new human glutathione reductase inhibitors.

Methods:
Virtual screening was performed using the ZINC database and molecular docking was
used to detect appropriate human glutathione reductase inhibitors. Based on the docking scores obtained,
the top three highest-ranked ligands were selected for the molecular dynamics simulation
study. The MD simulation was performed for each complex in a length of 100 ns.

Results:
RMSD, RMSF and hydrogen bond analyzes were performed on the derived trajectories.
Molecular mechanics generalized born surface area (MM-GBSA) and pairwise per-residue free energy
decomposition analyzes were performed for the determination of binding free energy and the
determination of dominant residues involved in the binding process, respectively. The binding free
energy analysis showed that the molecule of 3-((7-(furan-2-ylmethyl)-5,6-diphenyl-7H-pyrrolo[2,3-
d] pyrimidin-4-yl) amino) propan-1-ol is the most potent inhibitor among the molecules considered
against human glutathione reductase enzyme.

Conclusion:
This molecule can be considered a novel candidate for antimalarial treatments.
A Computational Framework to Identify Cross Association Between Complex Disorders by Protein-protein Interaction Network Analysis
Authors: Suresh Nikhila T. , Ravindran Vimina E. , Krishnakumar Ullattil 
Published: July 2020

Objective:
It is a known fact that numerous complex disorders do not happen in
isolation indicating the plausible set of shared causes common to several different sicknesses.
Hence, analysis of comorbidity can be utilized to explore the association between several
disorders. In this study, we have proposed a network-based computational approach, in which
genes are organized based on the topological characteristics of the constructed Protein-Protein
Interaction Network (PPIN) followed by a network prioritization scheme, to identify distinctive
key genes and biological pathways shared among diseases.

Methods:
The proposed approach is initiated from constructed PPIN of any randomly chosen
disease genes in order to infer its associations with other diseases in terms of shared pathways, coexpression,
co-occurrence etc. For this, initially, proteins associated to any disease based on
random choice were identified. Secondly, PPIN is organized through topological analysis to define
hub genes. Finally, using a prioritization algorithm a ranked list of newly predicted
multimorbidity-associated proteins is generated. Using Gene Ontology (GO), cellular pathways
involved in multimorbidity-associated proteins are mined.

Result and Conclusion:
: The proposed methodology is tested using three disorders, namely
Diabetes, Obesity and blood pressure at an atomic level and the results suggest the comorbidity of
other complex diseases that have associations with the proteins included in the disease of present
study through shared proteins and pathways. For diabetes, we have obtained key genes like
GAPDH, TNF, IL6, AKT1, ALB, TP53, IL10, MAPK3, TLR4 and EGF with key pathways like
P53 pathway, VEGF signaling pathway, Ras Pathway, Interleukin signaling pathway, Endothelin
signaling pathway, Huntington disease etc. Studies on other disorders such as obesity and blood
pressure also revealed promising results.
Downregulation of miR-140 is Correlated with Poor Prognosis and Progression of Thyroid Cancer
Authors: Yu Qianqian , Sun Wenhai , Hua Hui , Chi Yulian , Liu Xiaomin , Dong Anbing , Sun Yinghe , Zhang Jianhua , Guan Ge 
Published: July 2020

Background:
The incidence of thyroid cancer is increasing rapidly and there is an urgent
need to explore novel therapeutic targets for thyroid cancer. MiR-140 has been reported to affect the
progression of various cancers, which makes it possible to play a role in thyroid cancer. This study
aimed to investigate the expression and role of miR-140 in thyroid cancer.

Methods:
The expression of miR-140 was investigated by reverse transcription-quantitative polymerase chain reaction (qRT-PCR) in thyroid cancer tissues and cell lines. The prognostic value of miR140 in thyroid cancer was evaluated by Kaplan-Meier survival and Cox regression. Moreover, the
effects of miR-140 on cell proliferation, migration, and invasion of thyroid cancer were investigated by
CCK-8 and Transwell assay.

Results:
MiR-140 was downregulated in thyroid cancer tissues and cells, which correlated with TNM
stage and lymph node metastasis of patients. Patients with low miR-140 expression had a shorter survival
time compared with that in patients with high miR-140 expression. Furthermore, miR-140 acts as
an independent factor for the prognosis of thyroid cancer. Overexpression of miR-140 inhibited cell
proliferation, migration, and invasion of thyroid cancer.

Conclusion:
MiR-140 can serve as a potential prognostic factor for patients with thyroid cancer and
suppress the progression of thyroid cancer, which provides new insight for the therapeutic target for
thyroid cancer.
Analysis of a New Work-Related Stress Assessment Tool
Authors: Buonocore Gaetano , Maldonato Nelson Mauro , Alfano Yari Mirko , Annunziata Simona , Annunziato Tilde , Muzii Benedetta , Vergati Concetta , Bottone Mario , Cantone Daniela , Polito Rita , Tartaglia Nicola , Ambrosi Antonio , Robustella Carmela , Moscatelli Fiorenzo , Sperandeo Raffaele 
Published: July 2020

Background:Work-related stress is a relevant phenomenon in terms of health and safety at work, as occupational distress has a negative impact on individual and organisational well-being. It is a complex and multifactorial phenomenon, whose evaluation must be carried out through a specific and adequate methodology.Objective:This work aims to identify versatile tools that can quickly provide reliable measures of work distress. It analyzes the proposal elaborated by the “Comitato Unico di Garanzia per le Pari Opportunità, la Valorizzazione del Benessere di chi lavora e contro le Discriminazioni” of Rome,i.e. the tool “Valutazione è prevenzione, Sicurezza è partecipazione”.Methods:A study was carried out on a sample of 474 employees of the Neapolitan Judicial Offices, who were given a standardized questionnaire to investigate the stress, associated with the proposal of the Comitato Unico di Garanzia.Results:From the elaboration of the results, it emerges that the conditions of working wellbeing are linked to two main factors related to the perception of workers both of physical-environmental and organisational-relational aspects. In particular, it emerged that the new assessment tool, consisting of a small number of items, contributes to the detection of work stress, so it is necessary to deepen through future research the contribution that this tool can offer to the survey on work-related stress.Conclusion:Having highlighted two factors that significantly saturate the presence of a working discomfort, through an agile tool, allows us to plan a new research path, which can approach the complexity of the phenomenon through the methods of deep learning.
Three-Component Efficient Synthesis of 2-Amino-3-cyano-4H-pyrans Catalyzed by Diammonium Hydrogen Phosphate in Aqueous Media
Authors: Taghva Pardis H. , Kabirifard Hassan 
Published: July 2020

Background:
The present method is facile, green and effective for the synthesis of 2-
amino-3-cyano-4H-pyran derivatives which are obtained by one-pot three-component condensation
reactions of aromatic aldehydes, malononitrile and methyl acetoacetate using diammonium hydrogen
phosphate (DAHP) in aqueous ethanol at room temperature.

Methods:
2-Amino-3-cyano-4H-pyrans were synthesized through a one-pot three-component tandem
Knoevenagel cyclocondensation reaction of aromatic aldehydes, malononitrile, and methyl
acetoacetate in the presence of 10 mol% of DAHP as a catalyst under aqueous ethanol medium at
room temperature. All obtained structures were confirmed by their physical constant, IR, 1H NMR,
13C NMR spectroscopy, and also elemental analyses for new derivatives.

Results:
Three-component synthesis of 2-amino-3-cyano-4H-pyrans catalyzed by DAHP with aromatic
aldehydes, malononitrile and methyl acetoacetate in aqueous ethanol medium at room temperature
was prepared. The achieved derivatives (nine entries) were well synthesized in excellent
yields.

Conclusion:
The present method is straightforward, quick, and most efficient green protocol for
the synthesis of 2-amino-3-cyano-4H-pyran derivatives using highly inexpensive, easily handle
and, nontoxic DAHP as an efficient catalyst in aqueous ethanol medium at room temperature.
Short-term Electricity Price Probabilistic Forecasting Based on Support Vector Quantile Regression Optimized by Simulated Annealing Algorithm
Authors: He Hui , Zhang Rui , Li Kaihang , Jie Yongjun , Jiao Runhai , Chen Bo 
Published: July 2020

Background:
Electricity price forecasting is still a challenging issue as it plays an essential role in balancing
electricity generation and consumption. Probabilistic electricity price forecasting not only provides deterministic price
forecasts but also effectively quantifies the uncertainty of electricity price.

Methods:
This paper introduces a new short-term electricity price forecasting approach called SASVQR, which is based
on support vector quantile regression (SVQR) optimized by simulated annealing algorithm. In this study, SVQR is
employed to obtain the conditional quantiles of the electricity under different quantile points, while the simulated
annealing algorithm is applied to optimize each SVR model. Then the kernel density estimation takes these conditional
quantiles as inputs and generates the probability density functions for future electricity prices.

Result:
The proposed algorithm is assessed in three datasets: the GEFCom 2014, two real electricity price datasets from
the PJM market and the Singapore market. Three popular probabilistic forecasting criteria, namely prediction interval
coverage probability (PICP), prediction interval normalized average width (PINAW), and coverage width-based criterion
(CWC), are utilized to evaluate the numerical experiment results..It shows the promising forecasting performance,
robustness, and effectiveness of SASVQR on different datasets.

Conclusion:
The SASVQR method can effectively forecast the short-term electricity price compared with other methods.
eHealth Communication With Clients at Community-Based HIV/AIDS Service Organizations in the Southern United States: Cross-Sectional Survey
Authors: Wigfall Lisa Tisdale 
Published: July 2020

Background
Providing HIV/STD testing and prevention education, medical and nonmedical case management, housing assistance, transportation services, and patient navigation are just a few examples of how community-based HIV/AIDS service organizations will help the United States realize the goals of the updated National HIV/AIDS Strategy.

Objective
In this study, the aim was to assess electronic data security confidence level, electronic communication behaviors, and interest in using eHealth communication tools with clients of staff at community-based HIV/AIDS service organizations.

Methods
Staff were recruited from 7 community-based HIV/AIDS service organizations in the southern United States (3 in South Carolina and 4 in Texas). The principal investigator used state department of health websites to identify community-based HIV/AIDS service organizations. Staff were included if they provided HIV/STD prevention education to clients. A recruitment letter was sent to community-based HIV/AIDS service organization leaders who then used snowball sampling to recruit eligible staff. Chi-square tests were used.

Results
Among staff (n=59) who participated in the study, 66% (39/59) were very or completely confident that safeguards are in place to keep electronically shared information from being seen by other people; 68% (40/59) used email, 58% (34/59) used text messages, 25% (15/59) used social media, 15% (9/59) used a mobile app, 8% (5/59) used web-enabled videoconferencing, and 3% (2/59) used other tools (eg, electronic medical record, healthnavigator.com website) to communicate electronically with their clients. More than half were very interested in using eHealth communication tools in the future for sharing appointment reminders (67%, 38/59) and general health tips (61%, 34/59) with their clients. Half were very interested in using eHealth communication tools in the future to share HIV medication reminders with their clients (50%, 29/59). Forty percent (23/59) were very interested in using eHealth communication tools to share vaccination reminders with their clients.

Conclusions
Community-based HIV/AIDS service organization staff had some level of confidence that safeguards were in place to keep electronically shared information from being seen by other people. This is critically important given the sensitivity of the information shared between community-based HIV/AIDS service organization staff and their clients, and because many staff were very interested in using eHealth communication tools with their clients in the future. It is very likely that eHealth communication tools can be used in community settings to improve health outcomes across the HIV care continuum; in the interim, more research is needed to better understand factors that may facilitate or impede community-based HIV/AIDS service organization staff use and client acceptability.
MyPath to Home Web-Based Application for the Geriatric Rehabilitation Program at Bruyère Continuing Care: User-Centered Design and Feasibility Testing Study
Authors: Backman Chantal , Harley Anne , Kuziemsky Craig , Mercer Jay , Peyton Liam 
Published: July 2020

Background
When older adults return home from geriatric rehabilitation in a hospital, remembering the plethora of medical advice and medical instructions provided can be overwhelming for them and for their caregivers.

Objective
The overall objective was to develop and test the feasibility of a novel web-based application called MyPath to Home that can be used to manage the personalized needs of geriatric rehabilitation patients during their transition from the hospital to home.

Methods
This study involved (1) co-designing a patient- and clinician-tailored web-based application and (2) testing the feasibility of the application to manage the needs of geriatric rehabilitation patients when leaving the hospital. In phase 1, we followed a user-centered design process integrated with the modern agile software development methodology to iteratively co-design the application. The approach consisted of three cycles in which we engaged patients, caregivers, and clinicians to design a series of prototypes (cycles 1-3). In phase 2, we conducted a single-arm feasibility pilot test of MyPath to Home. Baseline and follow-up surveys, as well as select semistructured interviews were conducted.

Results
In phase 1, semistructured interviews and talk-aloud sessions were conducted with patients/caregivers (n=5) and clinicians (n=17) to design the application. In phase 2, patients (n=30), caregivers (n=18), and clinicians (n=20) received access to use the application. Patients and their caregivers were asked to complete baseline and follow-up surveys. A total of 91% (21/23) of patients would recommend this application to other patients. In addition, clinicians (n=6) and patients/caregivers (n=6) were interviewed to obtain further details on the value of the web-based application with respect to engaging patients and facilitating communication and sharing of information with the health care team.

Conclusions
We were successful at designing the MyPath to Home prototype for patients and their caregivers to engage with their clinicians during the transition from geriatric rehabilitation to home. Further work is needed to increase the uptake and usage by clinicians, and determine if this translates to meaningful changes in clinical and functional outcomes.

International Registered Report Identifier (IRRID)
RR2-10.2196/11031