bluuebunny/crossref_metadata_2025_split huggingface dataset:
Impact of temperature on the leaching of sulphate, Co, Fe, Mn, Ni and Zn from the Ballangen tailings deposit, Norway: a laboratory column experiment
Authors: Lu Jinmei , Walder Ingar , Leiviskä Tiina 
Published: October 2021

Abstract
Temperature is an important factor affecting the leaching of contaminants from waste deposits, especially in the Nordic region where temperature change is more drastic than other areas. In this study, the impact of temperature variation in the leaching of sulphate, Co, Fe, Mn, Ni and Zn from the Ballangen tailings deposit, northern Norway, was investigated using a column leaching experiment. Unoxidized tailings were fed into four columns, which were subsequently put into four wine fridges set at 5, 10, 14 and 18 °C, respectively. The columns were filled with 600 mL of deionized water from the top every second week. Leachate was collected at the bottom and tested for pH, conductivity and concentrations of , Co, Fe, Mn, Ni and Zn. The saturation index for ferrihydrite and the activity of Fe2+ in the leachate were calculated with PHREEQC. The results showed that the conductivity and leachate concentrations of , Co, Fe, Mn and Ni were highest at 14 and 18 °C, and lowest at 5 °C, which showed high tailings oxidation and subsequent leaching of contaminants at higher temperatures. X-ray photoelectron spectroscopic (XPS) analysis of the residual material confirmed the oxidation of sulphides and leaching of many elements. Ferrihydrite was supersaturated in the leachate from the 14 and 18 °C columns, which showed the oxidation of pyrrhotite and olivine and the precipitation of ferrihydrite. The cumulative mass of Zn leached out was highest at 10 °C, which might be the threshold temperature for the leaching of Zn.
Development of nano-activated carbon and apply it for dyes removal from water
Authors: Al Jebur Layla A. , Alwan Liqaa Hussein 
Published: October 2021

Abstract
The present study investigates the production of nano-activated carbon from banana peels mixed with nylon 6.6 and polyethene. The carbonization process was carried out by mixing accurate percentages of the banana peels with different ratios of nylon 66 and a suitable amount of potassium hydroxide. The fusion carbonization, without solvents, was used in this paper to decompose the nylon mixture, releasing amino and carboxylate roots that can easily react with the carbon chains. The prepared nano-activated carbon was characterized using different technologies, including SEM, AFM, FT-IR, and EDX technologies. The results showed the produced carbon has spherical particles with a pore size of 1.21 nm and a surface area of 1,071.7 m2/gm. Additionally, it was noticed, from the FT-IR spectrum, the prepared carbon does not contain any active groups, which means it is an inert material. X-ray analysis showed the new carbon is made from carbon (78.57%) and oxygen (21.43%). After optimizing the wavelength, the prepared carbon was used to adsorb methylene blue and Eirochrom black T dyes from solutions. The results showed the best equilibrium time, dose of carbon and concentration of dyes was 40–50 minutes, 0.04 g and 20 ppm, respectively.
Profiling and Characterization of microRNAs Responding to Sodium
Butyrate Treatment in Gastric Cancer Cells
Authors: Zhang Dewei , Sun Gongping , Duan He , Meng Jin 
Published: October 2021

Background:
Short-chain fatty acids exert anti-cancer effects on tumor cells.

Objective:
We aimed to reveal the signaling network altered by butyrate in Gastric Cancer (GC)
using small RNA sequencing (sRNA-seq).

Methods:
The effects of butyrate on the biological behavior of NCI-N87 and KATO III cells in
vitro were assessed by functional assays and half-maximal inhibitory concentrations (IC50) of butyrate
in KATO III cells were calculated. sRNA-seq was performed on KATO III cells. Differentially
expressed miRNAs (DE-miRNAs) were identified between butyrate treatment and control
groups using DESeq2, and miRNA targets were predicted. A protein-protein interaction (PPI) network
of DE-miRNA targets was created using Metascape. Key MCODE complexes were identified
using the MCODE algorithm and cluster Profiler. The relationship between DE-miRNA and
GC overall survival (OS) was evaluated using Kaplan-Meier curves.

Results:
Butyrate dose-dependently inhibited NCI-N87 and KATO III cell viability. KATO III
cells were more sensitive to butyrate than NCI-N87 cells. Butyrate promoted apoptosis and inhibited
KATO III cell migration. Total 324 DE-miRNAs were identified in KATO III cells, and 459
mRNAs were predicted as targets of 83 DE-miRNAs. Two key protein complexes were identified
in a PPI network of the 459 targets. A key signaling network responding to butyrate was generated
using targets in these key complexes and their miRNA regulators. The DE-miRNAs in the key signaling
network were related to the OS of GC.

Conclusion:
Butyrate altered the biological behavior of GC cells, which may be achieved by regulating
miRNAs and related oncogenic pathways.
Exploring the N1 Position of Biginelli Compounds: New Insights and
Trends for Chemical Diversity Generation of Bioactive Derivatives
Authors: Gonçalves Itamar Luís , das Neves Gustavo Machado , Kagami Luciano Porto , Gonçalves Guilherme Arraché , Davi Leonardo , Eifler-Lima Vera Lucia 
Published: October 2021

:
Dihydropyrimidinones (DHPMs) are heterocycles obtained by the multicomponent Biginelli
reaction. Recently, new synthetic protocols have allowed us to explore functionalisation at less
explored positions of DHPMs, such as the N1 position. In this context, a full literature survey of N1-
substituted DHPMs was performed. We analysed 27 papers and identified 379 compounds with substituents
at the N1 position, most of them with alkyl groups, and a total of 28% compounds with aromatic
substituents attached at the N1 position. N1-substituted DHPMs were explored mainly due to
their effects on cancer cell proliferation via numerous targets, such as kinesin Eg5, heat shock protein
70, heat shock protein 90, and the epidermal growth factor receptor. Similarity analyses were performed
using the data of 379 DHPMs from different cheminformatic approaches, i.e., chemical property
correlations, principal component analysis, similarity networks, and compound clustering.
LncRNAs Roles in Chemoresistance of Cancer Cells
Authors: Taghvimi Sina , Abbaszadeh Sepideh , Banan Fatemeh Bahrami , Fard Elahe Soltani , Jamali Zeinab , Najafabadi Milad Ahmadi , Savardashtaki Amir , Movahedpour Ahmad 
Published: October 2021

Abstract:
Cancer is an important health issue worldwide. Cancer therapy is multifaceted,
and drug resistance is still the major limiting factor in the treatment of patients with this
disease. Although the mechanisms of anticancer drug resistance have been broadly
investigated, a massive biological signal pathway of Non-coding RNAs (ncRNAs)
involved in this process has not been completely understood. Long noncoding RNAs
(lncRNAs) are a kind of transcripts with a minimum length of 200 nucleotides in size,
which have a limited potential for coding proteins. The roles of these RNA molecules
have been evaluated in relation to several pathological processes, including tumor
formation and progression. Increasing evidence has recently reported that non-coding
RNAs (ncRNAs), particularly long non-coding RNAs, have significant roles in many
cellular and genomic processes, and because of their potential in regulation specific
genes, they are also involved in drug resistance. In this review, we review the literature
on the features of lncRNA, their regulation roles in the gene expression related to chemo
resistance, and the potential of these RNAs as targeted therapies for personalized
treatment in cancers.
DFT Study on the Interaction of Lenalidomide Anticancer Drug on the
Surface of B12N12 Nanocluster
Authors: Sharifi Shamsa , Sheikhi Masoome , Shahab Siyamak , Kaviani Sadegh , Kumar Rakesh 
Published: October 2021

Abstract:
The adsorption of the Lenalidomide (LNA) drug on the surface of the B12N12 nanocluster
has been studied using DFT and TD-DFT calculations. The quantum calculations have been performed
at the B3LYP/6-311+G** level of theory in the solvent water. The change of DM also displays
a charge transfer between LNA and nanocluster. The adsorption of the LNA drug from the
O1 atom on the B12N12 nanocluster leads to higher electrical conductivity due to the low Eg rather
than the other active sites. According to QTAIM analysis, -G(r)/V(r) values for B-O and B-N bonds
are between 0.5 and 1, confirming the partially covalent character. The values of LOL and ELF are
low in the region between the nitrogen and oxygen atoms of LAN and B12N12, which show that the
interactions have mainly non-covalent character. The calculated data revealed that the B12N12
nanocluster can be an appropriate biomedical carrier for the delivery of LNA drugs.
Synthesis and Reactivity of Dihalofuranones
Authors: Lyons Thérèse A. , Gahan Cormac G.M. , P. O'Sullivan Timothy 
Published: October 2021

Background:
Halogenated furanones have been found to act as potent quorum sensing
inhibitors in several bacterial species. It is believed that dihalofuranones covalently bind to the
LuxS enzyme, which is necessary for autoinducer-2 synthesis. In addition to their antimicrobial
activity, halogenated furanones also possess anti-cancer, antioxidant, and depigmentation properties.
However, traditional routes to these compounds are low-yielding and capricious.

Objective:
The aim of this study was to investigate higher-yielding preparations of gemdihalofuranones
and compare their reactivity using Suzuki chemistry.

Methods:
Ramirez dibromoolefination of maleic anhydride was optimised using a variety of conditions.
A similar route was investigated for the preparation of bromofluorofuranones and dichlorofuranones.
The conversion of a dichlorofuranone to the corresponding iodofuranone derivatives
using microwave-assisted Finkelstein chemistry was also studied. Lastly, the reactivity of the different
dihalofuranones was compared by Pd-mediated coupling with phenylboronic acid.

Results:
A higher-yielding, concise synthesis of dibromofuranones was developed using a modified
Ramirez reaction. Additionally, a telescoped preparation of dichlorofuranone was higher yielding
than previous approaches. Bromine- and iodine-substituted dihalofuranones proved more reactive
than their chlorine-substituted analogues.

Conclusion:
Higher yielding routes to bromine-, fluorine-, chlorine- and iodine-containing dihalofuranones
were successfully developed. Suzuki couplings of gem-dihalofuranones were found to
proceed with high stereoselectivity.
Molecular Modeling Study for the Evaluation of Natural Compounds as
Potential Lanosterol 14α-Demethylase Inhibitors
Authors: Rani Nidhi , Singh Randhir , Kumar Praveen 
Published: October 2021

Background:
Candida albicans is one of the most important causes of fatal fungal infections.
Ergosterol, the main sterol in the fungal cell membrane, is the resultant product of Lanosterol in the presence
of the enzyme Lanosterolα-demethylase (Cytochrome P450DM). This enzyme is the target enzyme
of azole antifungal agents.

Aim:
To evaluate the antifungal potency of some of the natural compounds via molecular modeling and
Absorption, Distribution, Metabolism and Excretion (ADME) study.

Method:
The study involved the selection and modeling of the target enzyme, followed by the refinement
of the model using molecular dynamic simulation. The modelled structure of the enzyme was validated
using the Ramachandran plot and Sequence determination technique. A series of natural compounds was
evaluated for cytochrome P450 inhibitory activity using molecular docking studies. The structures of
compounds were prepared using a Chem sketch, and molecular docking was performed using Molergo
Virtual Docker (MVD) program.

Results:
The docking study indicated that all the natural compounds have interactivity with protein residue
of 14α-demethylase, and the heme prosthetic group and water molecules are present at the active site.
The data were also correlated with the synthetic compounds that were experimentally inactive against the
fungus and had a low docking score. The compounds with a high dock score were further screened for
Absorption, Distribution, Metabolism, Excretion and Toxicity (ADMET) profile, and it was predicted that
these compounds can be used as lead with a good ADME profile and low toxicity.

Conclusion:
The natural compound, i.e., curcumin, can easily be used further for lead optimization.
Short Form of the Pediatric Symptom Checklist-Youth Self-Report (PSC-17-Y): Spanish Validation Study
Authors: Piqueras Jose A , Vidal-Arenas Verónica , Falcó Raquel , Moreno-Amador Beatriz , Marzo Juan C , Holcomb Juliana M , Murphy Michael 
Published: October 2021

Background
The short form, 17-item version of the Pediatric Symptom Checklist-Youth Self-Report (PSC-17-Y) is a validated measure that assesses psychosocial problems overall (OVR) and in 3 major psychopathological domains (internalizing, externalizing, and attention-deficit/hyperactivity disorder), taking 5-10 min to complete. Prior research has established sound psychometric properties of the PSC-17-Y for English speakers.

Objective
This study extends psychometric evidence for the acceptability of the PSC-17-Y in a large sample of Spanish adolescents, providing proof of its reliability and structure, convergent and discriminant validity, and longitudinal and gender invariance.

Methods
Data were collected on 5430 adolescents, aged 12-18 years, who filled out the PSC-17-Y twice during 2018-2019 (7-month interval). We calculated the Cronbach alpha and the McDonald omega coefficients to test reliability, the Pearson correlation for convergent (distress) and criterion validity (well-being, quality of life, and socioemotional skills), confirmatory factor analysis (CFA) for structure validity, and multigroup and longitudinal measurement invariance analysis for longitudinal and gender stability.

Results
Within structural analysis for the PSC-17-Y, CFA supported a correlated 3-factor solution, which was also invariant longitudinally and across gender. All 3 subscales showed evidence of reliability, with coefficients near or above .70. Moreover, scores of PSC-17-Y subscales were positively related with convergent measures and negatively related with criterion measures. Normative data for the PSC-17-Y are presented in the form of percentiles (75th and 90th).

Conclusions
This work provides the first evidence of the reliability and validity of the Spanish version of the PSC-17-Y administered over the internet to assess mental health problems among adolescents, maintaining the same domains as the long version.
An Integrated Model to Improve Medication Reconciliation in Oncology: Prospective Interventional Study
Authors: Passardi Alessandro , Serra Patrizia , Donati Caterina , Fiori Federica , Prati Sabrina , Vespignani Roberto , Taglioni Gabriele , Farfaneti Ghetti Patrizia , Martinelli Giovanni , Nanni Oriana , Altini Mattia , Frassineti Giovanni Luca , Minguzzi Martina Vittoria 
Published: October 2021

Background
Accurate medication reconciliation reduces the risk of drug incompatibilities and adverse events that can occur during transitions in care. Community pharmacies (CPs) are a crucial part of the health care system and could be involved in collecting essential information on conventional and supplementary drugs used at home.

Objective
The aim of this paper was to establish an alliance between our cancer institute, Istituto Romagnolo per lo Studio dei Tumori (IRST), and CPs, the latter entrusted with the completion of a pharmacological recognition survey. We also aimed to integrate the national information technology (IT) platform of CPs with the electronic medical records of IRST.

Methods
Cancer patients undergoing antiblastic treatments were invited to select a CP taking part in the study and to complete the pharmacological recognition step. The information collected by the pharmacist was sent to the electronic medical records of IRST through the new IT platform, after which the oncologist performed the reconciliation process.

Results
A total of 66 CPs completed surveys for 134 patients. An average of 5.9 drugs per patient was used at home, with 12 or more used in the most advanced age groups. Moreover, 60% (80/134) of the patients used nonconventional products or critical foods. Some potential interactions between nonconventional medications and cancer treatments were reported.

Conclusions
In the PROF-1 (Progetto di Rete in Oncologia con le Farmacie di comunità della Romagna) study, an alliance was created between our cancer center and CPs to improve medication reconciliation, and a new integrated IT platform was validated.

Trial Registration
ClinicalTrials.gov NCT04796142; https://clinicaltrials.gov/ct2/show/NCT04796142
Feeding disorders of infancy or early childood: A review / Trastornos del la ingestión alimentaria de la infancia o la niñez: Una revisión
Authors: Martin Clarissa I. , Dovey Terence M. , Arcelus Jon 
Published: October 2021

Abstract Feeding disorders of infancy or early childhood are a common presenting problem at health clinics. However, they are often mistaken with eating disorders, such as Anorexia Nervosa or Bulimia Nervosa, in spite of remaining as different diagnostic categories in both the DSM-IV-TR and the ICD-10. Children’s feeding disorders are also understudied in comparison with eating disorders. The lack of a clear definition of feeding disorders, the diversity in prevalence figures and the challenges in the classification of these disorders affects the identification of feeding disorders in the clinical practice. This article aims to review the available literature in order to contribute to a better understanding of feeding disorders of infancy or early childhood. Key words: Feeding Disorders of Infancy or Early Childhood, Review, Classification. Resumen Los Trastornos de la Ingestión Alimentaria de la Infancia o la niñez (TIAI) son de común presentación en las consultas de profesionales de la salud. Sin embargo, a menudo son confundidos con los Trastornos de la Conducta Alimentaria (TCA), Anorexia Nerviosa y Bulimia Nervosa, aunque estos permanecen como entidades diagnósticas separadas tanto en el DSM-IV-TR como en el ICD-10. En comparación con los TCA y con otros trastornos del comportamiento infanto-juvenil, los TIAI están escasamente investigados. Los términos utilizados para su descripción, la diversidad en la prevalencia, y las dificultades en la clasificación, afectan la identificación de estos problemas en la práctica clínica. Por ello, este artículo tiene como objetivo el repasar la literatura disponible sobre estos trastornos para así contribuir a una mejora en el entendimiento de los TIAIs. Palabras clave: Trastornos de la Ingestión Alimentaria de la Infancia o la Niñez, Revisión, Clasificación.
Restrictive diet or excessive exercise: ¿What are the adolescents choose to reduce the size? / Dieta restringida o ejercicio excesivo: ¿Qué eligen las adolescentes para reducir la talla?
Authors: Hernández-Alcántara Alfredo , León Hernández Rodrigo 
Published: October 2021

Abstract The socio-cultural or peer pressure on pre-adolescents and adolescents who desire a perfect body figure can lead to the practice of excessive exercise and/or restrictive diet in order to achieve thinness. So the purpose of this study is to evaluate both factors in a group of Mexican women who practice organized and disciplined physical activity in an institutional framework and Mexican female who don´t practice it. The sample consisted on N= 774 women: n=387 practice physical activity and n=387 do not exercise in a disciplined manner. The average age was M=11.8, SD=2.2 with a range between 9 and 16 years old. It was used a scale that measure dietary risk factors and one that measure excessive exercise. Results. An ANOVA generated a model that suggests that women who don’t practice organized and disciplined exercise and are more exercise dependence, incur in more restrictive diet. It follows that among the girls who don’t practice organized physical activity (exercise) dependence could be reduced to an attitude towards physical exercise combined with restricted diet, for weight control and reducing size. This suggests that physical activity, sports and recreational organized activities organized within an institutional framework promotes eating health. Key words: Restrictive diet, sport, exercise, eating disorders. Resumen La presión cultural sobre púberes y adolescentes que desean una figura ideal puede orillarlas a la práctica de ejercicio excesivo y/o dieta restringida con el fin de alcanzar la delgadez. Por ello el propósito del presente trabajo es evaluar ambos factores en un grupo de mujeres mexicanas que practican actividad física organizada y otro que no la practica. La muestra quedó formada por N=774 mujeres: n=387 practican ejercicio y n=387 no lo practican de forma disciplinada. La edad promedio fue M=11.8, DE= 2.2 con un rango de entre 9 y 16 años. Se utilizó una escala que mide factores alimentarios de riesgo y una que mide factores deportivos. Resultados. Un ANOVA generó un modelo que sugiere que las mujeres que no practican actividad física organizada y que son más dependientes al ejercicio incurren más en la dieta restringida. De ello se deduce que entre las chicas que no practican actividad física organizada la dependencia al ejercicio podría reducirse a una actitud hacia el ejercicio físico que además combinan con dieta restringida para controlar el peso y reducir la talla. Esto sugiere que la actividad físico-deportiva-recreativa-organizada dentro de un marco institucional promueve la salud alimentaria. Palabras clave: Dieta restringida, deporte, trastornos alimentarios.