bluuebunny/crossref_metadata_2025_split huggingface dataset:
Evaluating the impact of flood irrigation on spatial variabilities of soil salinity and groundwater quality in an arid irrigated region
Authors: Zheng Nengzhan , Guo Mengshen , Yue Weifeng , Teng Yanguo , Zhai Yuanzheng , Yang Jie , Zuo Rui 
Published: December 2020

Abstract
Soil salinization is a key problem limiting the sustainable development of agriculture in arid areas. To explore the quantitative influence of irrigation on soil salinity and groundwater quality, spatial variability of salt at different soil depths and total dissolved solids in groundwater before and after irrigation was analysed in the Hetao Irrigation District, China. The spatial variability of soil salinity before and after irrigation was moderate, with high coefficients of variation observed in shallow soil. After irrigation, amounts of salt were transferred into the groundwater, leading to the deterioration of groundwater quality, the average salt flux through each interface was −153.66, 169.12, 130.13 and 318.48 g/m2, for 20, 50, 100 and 150 cm soil depths, respectively. All salt moved downward vertically except for 0–20 cm soil layer, and the average soil salt flux of shallow layers was significantly lower than that of deep layers. Compared soils of different depths and land types, salt discharge occurred in cultivated land, while salt accumulation occurred in shallow soil in wasteland after irrigation. Irrigation could help remove salt from cultivated land and deeper soil; however, it had almost no effect on shallow soil of other land uses.
Retracted: Assessment of effectiveness of water safety plans (WSP) on water quality in rural communities of Anambra State, south-eastern Nigeria
Authors: Ekwere Azubuike S. , Oyonga Oyonga A. , Banda Maingaila M. 
Published: December 2020

Abstract
Water Supply issues a formal retraction relation to the above article by Azubuike S. Ekwere et al. The publisher issues this retraction due to concerns over the originality of the authors’ work.
Perception of the citizens in the city of São Mateus, Brazil, on water supply and the implications in its use
Authors: Vinturini Angelo Rezende , Feroni Rita de Cassia , Galvão Elson Silva 
Published: December 2020

Abstract
The perception of consumers concerning the water supplied by water supply systems (WSS) can be a valuable tool for the management of water resources. This study aims to assess the perception of the citizens of the city of São Mateus, southeast Brazil, concerning the water supplied by the local WSS, and investigating the availability of other alternative sources. A survey was given to a sample of local consumers, and the results suggest that most consumers do not have a good opinion regarding the water quality, highlighting flavor, color, and intermittent supply as the main issues, especially during periods of drought. These conditions are mainly associated with the increase of the total dissolved solids in the raw water. Using private water wells is highlighted as an available alternative source for multiple domestic uses; nevertheless, this alternative may cause some concern if the exploitation of the resource is made without control.
Optimization of the adsorption of diclofenac by activated carbon and the acidic regeneration of spent activated carbon
Authors: Genç Nevim , Durna Elif , Erkişi Ezgi 
Published: December 2020

Abstract
Diclofenac sodium (DCF) is a non-steroidal anti-inflammatory drug. It has been classified as ecotoxic even at low concentrations. In this study, adsorption of DCF on coconut shell-based granular activated carbon (GAC) and regeneration of spent GAC with hydrochloric acid (HCl) were investigated. The results showed that GAC with heterogeneous surface structure adsorbs DCF endothermically with both chemical and physical forces. Adsorption and regeneration processes were optimized with Taguchi Experimental Design. The effects of all parameters affecting the adsorption and regeneration processes were determined by analysis of variance and Pareto analyses. DCF removal of 79.80% was obtained at optimum conditions and the most effective parameter was evaluated as GAC size. At optimum regeneration conditions, 6.85 mg DCF/g GAC adsorption capacity was found with an operating cost of €0.05 g GAC. The amount of HCl was the most effective parameter. It was determined that the regenerated GAC had an adsorptive capacity higher than the adsorptive capacity of the raw GAC during at least three regeneration cycles. Raw, spent and regenerated GACs were characterized by Fourier transform infrared spectrometry and scanning electron microscopy analysis.
Edukacja zawodowa w kreowaniu zmian szkolnictwa ponadgimnazjalnego i wyższego, zorientowanych na rynek pracy
Authors: Baraniak Barbara 
Published: December 2020

Edukacja zawodowa rozpoznana naukowo na przełomie XX i XXI wieku aktualnie wpisuje się w kierunki reform szkolnictwa ponadgimnazjalnego i wyższego i ich rynkowego orientowania, wyrażając w ten sposób troskę o losy zawodowe absolwentów, rozumiane jako ich szanse na zatrudnienie, czyli wpisanie edukacji w oczekiwania pracodawców. W ich wypełnieniu przydatne będą modele zawodów i ich kształcenia, w tym modułowego, dostosowywanego do efektów kształcenia na różnych jego poziomach i w różnych rozwiązaniach organizacyjnych, starających zapewniać się w ten sposób nie tylko elastyczność ścieżek, ale również adekwatność oferty edukacyjnej do nieustannie zmieniającego się świata pracy. Należy żywić nadzieję, iż powyższe rozwiązania, wdrażane do praktyki edukacyjnej po ponad dwudziestoletnich badaniach, poprawią relację między edukacją a rynkiem pracy, wyrażoną lepszą sytuacją absolwentów na tymże rynku.
A Novel Dicationic Boron Dipyrromethene-based Photosensitizer for Antimicrobial Photodynamic Therapy against Methicillin-Resistant Staphylococcus aureus
Authors: Dharmaratne Priyanga , Yu Ligang , Wong Roy Chi-Hang , Chan Ben Chun-Lap , Lau Kit-Man , Wang Baiyan , Lau Clara Bik San , Fung Kwok-Pui , Ng Dennis Kee-Pui , Ip Margaret 
Published: December 2020

Background:
We report herein the synthesis of a novel dicationic boron dipyrromethene
derivative (compound 3) which is symmetrically substituted with two
trimethylammonium styryl groups.

Methods:
The antibacterial photodynamic activity of compound 3 was determined
against sixteen methicillin-resistant Staphylococcus aureus (MRSA) strains, including
four ATCC type strains (ATCC 43300, ATCC BAA-42, ATCC BAA-43, and ATCC
BAA-44), two mutant strains [AAC(6’)-APH(2”) and RN4220/pUL5054], and ten nonduplicate
clinical strains of hospital- and community-associated MRSA. Upon light irradiation,
the minimum bactericidal concentrations of compound 3 were in the range of
1.56-50 μM against all the sixteen MRSA strains. Interestingly, compound 3 was not only
more active than an analogue in which the ammonium groups are not directly connected
to the n-conjugated system (compound 4), but also showed significantly higher (p <
0.05) antibacterial potency than the clinically approved photosensitizer methylene blue.
The skin irritation of compound 3 during topical application was tested on human 3-D
skin constructs and proven to be non-irritant in vivo at concentrations below 1.250 mM.
In the murine MRSA infected wound study, the colony forming unit reduction of compound
3 + PDT group showed significantly (p < 0.05) higher value (>2.5 log10) compared
to other test groups except for the positive control.

Conclusion:
In conclusion, the present study provides a scientific basis for future development
of compound 3 as a potent photosensitizer for photodynamic therapy for MRSA
wound infection.
Effectiveness and Tolerability of Very-low Volume Preparation for Colonoscopy: A Narrative Review
Authors: Sinagra Emanuele , Sferrazza Sandro , Vitello Alessandro , Morreale Gaetano , Rossi Francesca , Conoscenti Giuseppe , Pallio Socrate , Raimondo Dario , Maida Marcello 
Published: December 2020

:
An adequate bowel preparation is essential for a successful colonoscopy, in particular, in the setting
of colorectal cancer screening. However, up to one-quarter of colonoscopies are associated with inadequate
bowel preparation, which may result in reduced polyp and adenoma detection rates, prolonged procedural time,
and an increased likelihood of repeat the procedure.

:
The ideal intestinal preparation should provide an optimal observation of the mucosa (at least > 90% of the visible
surface), with adequate acceptability and safety for the patient.

:
With this premise, a very low-volume 1 L PEG-ASC solution (Plenvu; Norgine, Harefield, United Kingdom)
has been recently introduced to improve patients’ experience in colonoscopy by reducing the total intake of
liquids to be consumed. This could represent a valid option for bowel cleansing, considering CRC screening
and surveillance programs, improving both the quality of the examination and the patients’ compliance.

:
Nevertheless, it must be emphasized that a “one size fits all” preparation strategy is not feasible and that a bowel
preparation regime must always be selected and tailored by the clinician for each patient, evaluating the best
options on a case by case basis.

:
This narrative review aims to sum up the evidence regarding new bowel preparation regimens in order to help
clinicians to tailor the best choice for patients undergoing colonoscopy.
Is Hospital Autopsy Auditing Suitable for Clinical Risk Manage ment? Actualities and Perspectives of Auditing in the Autopsy Room Following Italian Law 24/2017 on Patient Safety
Authors: Zanon Martina , Valentinuz Eleonora , Montanaro Martina , Radaelli Davide , Manfredi Alessandro , Bonuccelli Diana , Martelloni Massimo , D’Errico Stefano 
Published: December 2020

Background:
Autopsy is a valuable tool for understanding the physiopathology of any
disease, and it is the gold standard to assess the cause of death. The clinical autopsy is the ultimate
medical service for a patient and plays a crucial role in the context of quality control, education of
physicians and other medical personnel, as well as mitigation of risk of malpractice claims.

Objective:
This study aims to demonstrate the importance of improving an autopsy service and the
relevance of this investigation procedure in daily clinical practice by evaluating the rate of major
discrepancies between the assumed cause of death and the ascertained cause of death after a complete
post mortem investigation. A further aim is to classify these discrepancies as class I or class II
discrepancies according to the Goldman’s criteria in order to assess performance quality.

Methods:
A retrospective study of the hospital autopsies performed from June 2018 to March 2020
was conducted by considering a diversified dataset, including age and sex of the deceased as well as
the clinical and pathological causes of death.

Results:
362 cases were taken into consideration. Major discrepancies were found in 71.3% of cases,
with a class I error of 22.7% and a class II error of 48.6%. The most frequent misdiagnosis were
cardiovascular disorders, embolism, and aneurism rupture.

Discussion:
The rate of major discrepancies and the rate of class I and class II errors are way above
the rate found in the literature. Despite the high rate of a major discrepancy, evidence collected from
hospital autopsies (i.e., certainty of the cause of death, unknown comorbidities) has strengthened the
legal defense in cases of medical malpractice litigation. In our experience, by accurately determining
the cause of death, revealing new or unexpected findings, and any possible diagnostic or technical
errors, post-mortem examinations can significantly contribute to the improvement of team performance
and quality of care.

Conclusion:
The presence of clinicians during an autopsy and the early sharing of results can be
considered a new auditing strategy for hard clinical cases. Finally, by providing a clearer understanding
of the nature and cause of the illness, the autopsy results assist in the grieving process by
reassuring family members that action or inaction on their part had not contributed to the death.
Molecular Descriptors of Some Chemicals that Prevent COVID-19
Authors: Mondal Sourav , De Nilanjan , Pal Anita , Gao Wei 
Published: December 2020

Background:
Topological index is a numerical molecular descriptor that plays an important role in
structure-property/structure-activity modeling. A large number of works on multiplicative degree based indices
have been developed. However, no attention is paid to investigating their chemical significance. Investigation of
the chemical importance of such indices is needed. The computation of topological indices for different chemical
structures and networks is a current topic of interest in mathematical chemistry.

Objective:
The objective of the present work is to examine the usefulness of the multiplicative degree based indices
in quantitative structure property/activity relationship modeling. In addition, we intend to compute the indices for
some anti-COVID-19 chemicals.

Materials and Method:
The regression analysis for octane data set is performed using MATLAB and Excel to
check the predictability of the indices. The sensitivity test is conducted to examine the isomer discrimination ability.
To study the indices for chemical structures preventing COVID-19, different combinatorial computation methods
are utilized.

Results and Discussion:
The regression models governing the structural dependence of different properties and
activities are derived. The supremacy of the indices as useful molecular descriptors compared to some well-known
and most used descriptors is established. Explicit expressions of the indices for hydroxychloroquine, remdesivir
(GS-5734) and theaflavin are obtained.

Conclusion:
As the indices are shown to have remarkable efficiency in quantitative structure property/activity
relationship modeling and isomer discrimination, the outcomes can predict different properties and activities of the
chemicals under consideration.
New Metabolites of Udenafil Identified through Liquid Chromatography– Quadrupole Time-of-flight Mass Spectrometry
Authors: Pyo Jaesung 
Published: December 2020

Background:Udenafil, a recently discovered drug used for erectile dysfunction treatment, has been widely
prescribed and its effect on human systems has been extensively studied. However, there is little research on the human
metabolites of udenafil. Three metabolites have been identified in rats.

Objective: Herein, highly sensitive and accurate liquid chromatography–quadrupole time-of-flight tandem mass
spectrometry (LC-Q-TOF-MS/MS) was conducted to identify new udenafil metabolites.

Methods:Human liver microsomes were incubated with udenafil for in vitro samples, and rat urine and faeces samples
were collected from udenafil-administered rats for in vivo samples. Each sample was deproteinated with acetonitrile and
extracted by solid phase extraction. The purified samples were separated and analyzed by LC-Q-TOF-MS, and some
metabolite candidates were reanalyzed for further structural analysis using LC-Q-TOF-MS/MS.

Results:Eleven and three metabolites were identified in the in vitro and in vivo samples, respectively, and were found to
be hydrolyzed, oxidized, or demethylated forms of udenafil or its metabolites. The error of the metabolic analysis was
−8.7 to 7.6 ppm, indicating the high accuracy of the method.

Conclusion:These metabolic results could be useful for further investigation of udenafil and new phosphodiesterase-5
inhibitors.
Apoptotic Effects of Bilirubin on Skin Cancer Cell Lines SK-MEL-3 (Melanoma) and A431 (Non-Melanoma)
Authors: Saffari-Chaleshtori Javad , Heidarian Esfandiar , Shafiee Sayed M. 
Published: December 2020

Background:
Bilirubin has long been exclusively considered as a potentially dangerous sign of liver
diseases, but it is currently regarded as a reliable signaling molecule as well.

Objective:
This study investigated the effects of unconjugated bilirubin on survival, proliferation, apoptotic and
cell arrest capacities of melanoma SKMEL-3 and non-melanoma A431 skin cancer cells in comparison with
normal Human Dermal Fibroblast (HDF) cells.

Methods:
The MTT assay test was used to identify survival and the IC50 at various concentrations of bilirubin on
SKMEL-3, A431, and HDF cells for 24h and 48h. The comet assay technique was used to investigate
genotoxicity effects, and flow cytometry was run to investigate apoptotic and cell arresting effects of bilirubin on
the cells. The gene expression of cyclin D1, cyclin E1, survivin, Bcl-2, and p53 was investigated by qRT-PCR.
The molecular docking of bilirubin on CDKs (Cyclin-Dependent Kinases 2, 4, and 6) and pro-apoptotic factors
Bad, Bak, Bax, Bid, Bik, and Bim was performed by Autodock software version 2.

Results:
The IC50 of bilirubin on HDF, A431, and SKMEL-3 cells was 125, 115, and 95 μM at 24h and 115, 100,
and 75 μM at 48h, respectively. Although cell arrest in the G1 phase occurred in all cells, bilirubin induced
genotoxicity and apoptosis in SKMEL-3 and A431 cancer cells more pronouncedly than those in normal HDF
cells.

Conclusion:
Bilirubin led to cell arrest in the G1 phase in SKMEL-3, A431, and HDF cells. Additionally,
bilirubin induced apoptotic pathways in SKMEL-3 and A431 cancer cells.
Triazol-phenyl Antipyretic Derivatives Inhibit mPGES-1 mRNA Levels in LPS-Induced RAW 264.7 Macrophage Cells
Authors: dos Santos Lenisa Dandara , Froes Thamires Quadros , Contin de Melo Miriam Cristina , Petto de Souza Gloria Emília , Soares Denis de Melo , Castilho Marcelo Santos 
Published: December 2020

Background:
Microsomal prostaglandin E synthase-1 (mPGES-1) catalyzes the terminal
step of prostaglandin E2 (PGE2) production, which plays an important role in the regulation of
febrile response. In our previous work, ligand-based pharmacophore models, built with mPGES-1
inhibitors, were employed to identify a novel series of compounds that reduce the febrile response
in rats.

Objectives:
The study aimed to evaluate the mechanism of action of the most active compound (1).

Methods:
For in vivo assays, rats were pretreated with the antipyretic compounds 1-8, 30 min before
LPS injection. For in vitro assays, RAW 264.7 macrophage cells were incubated with the antipyretic
compounds 1-8 for 1 hour before LPS stimulus. After 16 h, quantitative real-time PCR
was carried out. Additionally, the PGE2 concentration in the hypothalamus was quantified by
ELISA and the inhibitory effect of N-cyclopentyl-N'-[3-(3-cyclopropyl-1H-1,2,4-triazol-
5-yl)phenyl]ethanediamide (1) over human COX-2 enzymatic activity was determined with a
COX Colorimetric Inhibitor Screening Assay Kit.

Results:
Compound 1 and CAY10526 showed comparable efficacy to reduce the febrile response
when injected i.v. (compound 1: 63.10%, CAY10526: 70.20%). Moreover, compound 1 significantly
reduced the mPGES-1 mRNA levels, in RAW264.7 cells, under inflammatory conditions. A
chemically-similar compound (8-) also significantly reduced the mRNA levels of the gene target.
On the other hand, compounds 6 and 7, which are also somewhat similar to compound 1, did not
significantly impact mPGES-1 mRNA levels.

Conclusions:
PGE2 concentration reduction in the hypothalamus, due to compound 1 central injection,
is related to decreased mPGES-1 mRNA levels but not to COX-2 inhibition (IC50> 50 μM).
Therefore, compound 1 is a promising lead for innovative antipyretic drug development.
Evaluation of Gamma Amino Butyric Acid (GABA) and Glibenclamide Combination Therapy in Streptozotocin Induced Diabetes
Authors: Zhu Yunfeng , Devi Sushma , Kumar Manish , Dahiya Randhir Singh , Tarkeshwer  
Published: December 2020

Background:
Type 1-diabetes (T1D) is characterized by autoimmune destruction of β-cells and loss of endogenous insulin. Lifelong dependency on exogenous supply of insulin presents a great challenge in pharmacotherapy of T1D
that elicits quest for alternative therapies, which can protect β-cells and revive their insulinogenic functions. GABA (γaminobutyric acid) has immuno-protective and β-cell regenerative capabilities. Co-administration of an insulin secretagogue
such as glibenclamide (Glib) along with GABA may enhance the pancreatic insulin output in T1D.

Objective:
The present study evaluated the possible mechanism of GABA in improvement of glucose tolerance and its effects in streptozotocin (STZ) induced T1D along with Glib.

Methods:
Wistar rats (180-220 g) were administered a single dose of STZ (55 mg/kg, i.p.). GABA (100 mg/kg, i.p.) and
Glib (5 or 10 mg/kg, i.p.) alone or in combination were administered for 28 days. Body weight (b.w.), water consumption,
fasting blood glucose (FBG), oral glucose tolerance, plasma lipids, insulin and muscle GLUT-4 (glucose transporters) protein level were assessed.

Results:
T1D significantly decreased b.w. and increased water-intake in rats. An increase in FBG, and decrease in plasma
insulin and muscle GLUT-4 indicated STZ-triggered destruction of β-cells in diabetic rats accompanied with dyslipidaemia.
GABA or Glib (10 mg/kg) significantly improved b.w., plasma insulin and GLUT-4 levels, and ameliorated FBG and blood
lipid profile in diabetic rats. GABA and Glib (5 mg/kg) combination therapy achieved far better control over hyperglycaemia and related pathogenic conditions (b.w., water-intake, insulin, GLUT-4, lipids). The anti-diabetic effect of combination
therapy was significantly more pronounced in comparison to individual drug treatments. Histopathological analysis revealed
an increase in number of functional pancreatic-islets by combination therapy.

Conclusion:
GABA revitalized β-cells against STZ-toxicity. GABA and Glib synergistically augmented insulin secretion
that can be used to manage T1D and its complications. GABA has the potential to remarkably enhance the therapeutic outcome in diabetic patients and reduce the dose of existing anti-diabetic drugs such as Glib.
Virtual Screening, Molecular Docking and In silico ADME-Tox Analysis for Identification of Potential Main Protease (Mpro) Enzyme Inhibitors
Authors: Panigrahi Debadash , Mishra Ganesh Prasad 
Published: December 2020

Objective:
Recent pandemic caused by the SARS-CoV-2, first described in Wuhan city of
China in December 2019, spread widely in almost all the countries of the world. Coronavirus
(COVID-19) led to the unexpected death of many people and caused a severe economic loss in a
number of countries. Virtual screening based on molecular docking, drug-likeness prediction, and in
silico ADMET studies are some of the effective tools for the identification of small molecules as novel
antiviral drugs to treat diseases.

Methods:
In the current study, virtual screening was performed through molecular docking for identifying
potent inhibitors against Mpro enzyme from the ZINC library for the possible treatment of the
COVID-19 pandemic. Interestingly, some compounds have been identified as possible anti-covid-19
agents for future research. A total of 350 compounds were screened based on their similarity score
with reference compound X77 from ZINC data bank and were subjected to docking with crystal structure
available of Mpro enzyme. These compounds were then filtered by their in silico ADME-Tox and
drug-likeness prediction values.

Result:
Out of these 350 screened compounds, 10 compounds were selected based on their docking
score and best-docked pose in comparison to the reference compound X77. In silico ADME-Tox and
drug likeliness predictions of the top compounds were performed and showed excellent results. All the
10 screened compounds showed a significant binding pose with the target main protease (Mpro) enzyme
and satisfactory pharmacokinetic and toxicological properties.

Conclusion:
Based on these results, it is suggested that the identified compounds may be considered
for therapeutic development against the COVID-19 virus and can further be evaluated for in vitro activity,
preclinical, clinical studies, and formulated in a suitable dosage form to maximize their bioavailability.