bluuebunny/crossref_metadata_2025_split huggingface dataset:
Anticancer Activity and In Silico ADMET Properties of 2,4,5-Trisubstitutedthiazole Derivatives
Authors: Al-Jaidi Bilal A. , Telfah Soha T. , Bardaweel Sanaa K. , Deb Pran K. , Borah Pobitra , Venugopala Katharigatta N. , Bataineh Yazan A. , Al Khames Aga Qutaiba A. 
Published: December 2020

Background:
Recently, a series of 15 compounds with 2,4,5-trisubstitutedthiazole scaffold having 2-
amino/amido/ureido functional groups attached with 5-aryl and 4-carboxylic acid/ester groups (1-15) were reported
from our research group as novel potential inhibitors of carbonic anhydrase III (CA III) enzyme. Several
research studies revealed the potential role of CA inhibitors as anticancer agents, giving us the impetus to further
explore these compounds for their potential as anticancer agents.

Objectives:
The objective of this study is to investigate the potential of 2,4,5-trisubstitutedthiazole derivatives
(1-15) for their possible cytotoxic activity (in vitro), and to calculate (in silico) the absorption, distribution,
metabolism, excretion and toxicity (ADMET) properties to evaluate the drug-likeness of these compounds.

Methods:
Cytotoxic activity (in vitro) was carried out on two breast cancer cell lines (MCF7 and MDA231),
and the lymphoblastoid human erythroleukemia cell line (K562) using 3-(4,5-dimethylthiazol-2-yl)-2,5-
diphenyltetrazolium bromide (MTT) assay. Doxorubicin was used as a positive control. ADMET properties
were calculated (in silico) using the QikProp module of Schrodinger.

Results:
Compounds 6 and 9 with a phenylureido group at 2-position, and a methyl-carboxylate moiety at 4-position
having para-tolyl and benzyl moiety, respectively at the 5-position of the thiazole ring showed significant
cytotoxicity against all the three cell lines. In particular, compound 6 with para-tolyl group at 5-position
exhibited the most potent inhibitory effect on the viability of MCF7, MDA231 and K562 cells, with IC50 values
of 22, 26 and 11 μM, respectively. Notably, all the highly active compounds possess a phenyluriedo group at 2--
position with a methyl ester group at 4-position, indicating the probable role of these substituents in the target
interaction and inducing cytotoxicity. Interestingly, compounds 1-4 and 10-13 with a free amino group at 2-position
did not show any cytotoxic effect on the K562 cell line, while exhibiting mild to moderate cytotoxicity
against the MCF7 and MDA231 cell lines. However, none of the tested compounds showed any activity against
normal human dermal fibroblast cells indicating the safety/tolerability of the examined concentrations. Furthermore,
these compounds also exhibited satisfactory ADMET properties (in silico), without violating Lipinski’s
rule of five.

Conclusion:
The most active compounds 6 and 9 predicted to have good oral absorption and low human serum
protein binding, exhibiting no reactive functional group and probable CNS activity compared with 95% of the
known oral drugs as predicted (in silico) by QikProp. Thus, compounds 6 and 9 can be considered as lead
molecules for further modification and discovery of novel anticancer agents with nanomolar potency.
Mechanochemical Synthesis and Reactivity of 1,2,3-Triazole Carbohydrate Derivatives as Glycogen Phosphorylase Inhibitors
Authors: Ben Hamadi Naoufel 
Published: December 2020

Aims:
We have developed this work to recommend an original route for the preparation of triazole derivatives.

Background:
Carbohydrates containing 1,2,3-triazole derivatives have various biological activities. Due to their
advantageous and biological property, they are eye-catching synthetic targets in the arsenal of organic chemistry.
Thus, finding green and efficient methods, as well as using the ball milling procedure for the synthesis of these
heterocycles, is of interest to organic chemistry researchers.

Objective:
The objective of this study was to synthesize carbohydrate-derived triazoles under high-speed vibration
milling conditions and investigate their properties.

Materials and Method:
A mixture of glycoside azide derivatives (1 mmol) and prop-2-yn-1-ol (1.5 mmol) in
the presence of copper (I) was vigorously shaken under vibration milling conditions at 650 rpm with three balls
for 15 min. The deprotection of the resulting triazole derivatives was affected by treatment with 4M hydrochloric
acid in methanol under reflux.

Results and Discussion:
A short and convenient route to synthesize carbohydrate-derived triazoles, based on a
ball-mill via 1,3-dipolar cycloaddition reactions to prop-2-yn-1-ol, was developed. Cleavage of the isopropylidene
protecting group provided water-soluble triazoles, evaluated as glycogen phosphorylase inhibitors. 1-[6-
(4-Hydroxymethyl-[1,2,3]triazol-1-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl]-ethane-1,2-diol was
the best inhibitor of rabbit muscle glycogen phosphorylase b (IC50 = 60 μM).

Conclusion:
In summary, we developed new, short and convenient routes to glucose-derived 1,2,3-triazole based
on 1,3-dipolar cycloaddition reactions flowed by ball milling. The use of isopropylidene protective groups gave
access to the analogous deprotected water-soluble motifs, analogous to known inhibitors of glycogen phosphorylase.
Drug-induced Cholelithiasis
Authors: Alušík Štefan , Paluch Zoltán 
Published: December 2020

Background:
The prevalence of cholelithiasis in developed countries is high and its
cause is multifactorial, with a negligible proportion of drug-induced cholelithiasis.

Methods:
Relevant studies were identified by PubMed, Google Scholar and Science Direct. Reference
lists of retrieved articles were also reviewed. The most relevant and up-to-date information
was incorporated.

Results:
There is a wide range of drugs that can induce lithiasis. While the risk of developing lithiasis
is high with some drugs (ceftriaxone, atazanavir, somatostatin analogues), it is lower or even
questionable with others. Some drugs precipitate in the bile and may account for up to 100% of the
weight of the stone.

Conclusion:
Cholelithiasis can be induced by a wide range of drugs with different mechanisms of
action. The aim of the article is to draw attention to this lesser known fact and the need to take into
account the risk of developing lithiasis prior to therapy initiation.
Dynamic Role of Macrophage Sub Types on Development of Atherosclerosis and Potential Use of Herbal Immunomodulators as Imminent Therapeutic Strategy
Authors: Duraisamy Parimalanandhini , Ravi Sangeetha , Krishnan Mahalakshmi , Livya Catherene M. , Manikandan Beulaja , Arunagirinathan Koodalingam , Ramar Manikandan 
Published: December 2020

:Atherosclerosis, a major contributor to cardiovascular disease is a global alarm causing mortality worldwide. Being a progressive disease in the arteries, it mainly causes recruitment of monocytes to the inflammatory sites and subside pathological conditions. Monocyte-derived macrophage mainly acts in foam cell formation by engorging the LDL molecules, oxidizes it into Ox-LDL and leads to plaque deposit development. Macrophages in general differentiate, proliferate and undergo apoptosis at the inflammatory site. Frequently two subtypes of macrophages M1 and M2 has to act crucially in balancing the micro-environmental conditions of endothelial cells in arteries. The productions of proinflammatory mediators like IL-1, IL-6, TNF-α by M1 macrophage has atherogenic properties majorly produced during the early progression of atherosclerotic plaques. To counteract cytokine productions and M1-M2 balance, secondary metabolites (phytochemicals) from plants act as a therapeutic agent in alleviating atherosclerosis progression. This review summarizes the fundamental role of the macrophage in atherosclerotic lesion formation along with its plasticity characteristic as well as recent therapeutic strategies using herbal components and anti-inflammatory cytokines as potential immunomodulators.
Current State and Future Perspectives of Carbon-Based Materials in the Environment: Fate and Application
Authors: Isakovski Marijana K. , Beljin Jelena , Tričković Jelena , Rončević Srđan , Maletić Snežana 
Published: December 2020

Background:
Environmental pollution has been a recognized problem for human health
and the ecosystem. Remediation is usually costly and time-consuming, so researchers' attention has
been drowning to develop and use new materials. This review aims to summarize the recent development
of carbon-based materials used for environmental management.

Methods:
We conducted a detailed analysis of available literature based on the Web of Science
database. In the third part of the manuscript are given some of the recent patents on carbon-based
materials. The corresponding papers were carefully evaluated.

Results:
More than one hundred and ninety papers were included in section literature. Based on the
available literature it an increasing trend in carbon-based material usage can be observed. These
materials are used in resolving environmental issues: adsorbents in water and wastewater treatment;
precursor of catalysts, soil improvement, waste management, climate change mitigation, electrochemical
energy storage and soil remediation adsorption processes. Although it is a mainly new
approach considered as environmentally friendly, there are finding, observation, negative aspects,
and conclusion that must be taken into consideration.

Conclusion:
The findings of this review confirm that many factors must be considered when carbon-based materials
are used. At the same time, this review aims to emphasize development trends in providing a useful guide to design
and fabricate high-efficiency and low-cost carbon materials.
Weaning from Mechanical Ventilator in a Long-term Acute Care Hospital: A Retrospective Analysis
Authors: Surani Salim , Sharma Munish , Middagh Kevin , Bernal Hector , Varon Joseph , Ratnani Iqbal , Anjum Humayun , Khan Alamgir 
Published: December 2020

Background:
Prolonged Mechanical Ventilation (PMV) is associated with a higher cost of care and increased morbidity and mortality. Patients requiring PMV are referred mostly to Long-Term Acute Care (LTAC) facilities.

Objective:
To determine if protocol-driven weaning from mechanical ventilator by Respiratory Therapist (RT) would result in quicker weaning from mechanical ventilation, cost-effectiveness, and decreased mortality.

Methods:
A retrospective case-control study was conducted that utilized protocol-driven ventilator weaning by respiratory therapist (RT) as a part of the Respiratory Disease Certification Program (RDCP).

Results:
51 patients on mechanical ventilation before initiation of protocol-based ventilator weaning formed the control group. 111 patients on mechanical ventilation after implementation of the protocol formed the study group. Time to wean from the mechanical ventilation before the implementation of protocol-driven weaning by RT was 16.76 +/- 18.91 days, while that after the implementation of protocol was 7.67 +/- 6.58 days (p < 0.0001). Mortality proportion in patients after implementation of protocol-based ventilator weaning was 0.21 as compared to 0.37 in the control group (p=0.0153). The daily cost of patient care for the LTAC while on mechanical ventilation was $2200/day per patient while it was $ 1400/day per patient while not on mechanical ventilation leading to significant cost savings.

Conclusion:
Protocol-driven liberation from mechanical ventilation in LTAC by RT can significantly decrease the duration of a mechanical ventilator, leading to decreased mortality and cost savings.
The Relationships Between Early Maladaptive Schemas, Quality of Life and Self-care Behaviors in a Sample of Persons Living with HIV: The Potential Mediating Role of Cognitive Emotion Regulation Strategies
Authors: SeyedAlinaghi SeyedAhmad , MohsseniPour Mehrzad , Aghaei Elahe , Zarani Fariba , Fathabadi Jalil , . Mona Mohammadifirouzeh 
Published: December 2020

Introduction:
People who are living with HIV often experience physical as well as psychological challenges. Therefore, the aim of this descriptive, correlational study was to explore the potential mediating role of cognitive emotion regulation strategies in the relationships between early maladaptive schemas, quality of life, and self-care behavior in patients with HIV/AIDS.

Methods:
In the first half of 2017, patients with HIV/AIDS (N=240) were recruited from an HIV clinic in Tehran, Iran. A self-report questionnaire included the Young Schema Questionnaire-Short Form (YSQSF), Short Form Health Survey (SF-36), short form of Cognitive Emotion Regulation Questionnaire (CERQ), and a self-care behaviors questionnaire. The data analysis involved using advanced statistical techniques for structural equation modeling.

Results:
There were significant, inverse relationships between all five areas of early maladaptive schemas and positive cognitive emotional regulation strategies, self-care behaviors, and quality of life. Also, there were significant, positive relationships between all five areas of early maladaptive schemas and negative cognitive and emotional regulation strategies.

Conclusion:
The findings suggest that practical interventions to reduce maladaptive responses may result in healthier outcomes for persons living with HIV.
Electrocoagulation for the Removal of Copper and Zinc Ions from Water Using Iron Electrodes
Authors: Ahmad Majida K. , Mohammed Mais A. , Barbooti Mahmood M. 
Published: December 2020

Background:Many methods have been suggested for the removal of heavy metals from water to protect human health and the environment. Methods like precipitation and adsorption were proposed for this purpose.Objective:Electrocoagulation involves the generation of coagulant by the action of electricity on two metal electrodes (iron or aluminium) to aid the process of water decontamination.Methods:Electrodeposition cell was made with iron electrodes and application of voltage from the power supply (5-25 V) dipped in the working solution (Cu and Zn) at various concentrations (10-50 mg.mL-1) for 30-150 min. Samples were drawn and analysed by atomic absorption spectrophotometry.Results:The work indicated efficient removal of the metal ions. The dependence of removal efficiency on the three parameters was studied. The behaviour of the two metal ions was not identical. At low initial concentration, the electrolysis voltage was very important in the removal of Zn and Cu ions. Electrolysis time is essential in the removal process and shows a polynomial dependence of removal efficiency on time. Electrolysis time of 150 min resulted in almost complete removal (94-97%) regardless of the initial concentration. Both co-precipitation and adsorption mechanisms may be involved.Conclusion:The removal efficiency was directly dependent on the initial metal ion concentration and electrolysis time. The process gave removal efficiency for copper that is higher than that of the zinc.
CRISPR-CAS9 como ferramenta para edição do gene IT-15 na Doença de Huntington
Authors: Godoy Letícia Alves de , Bomfim Fernando Russo Costa do 
Published: December 2020

A Doença de Huntington (DH) é uma doença neurodegenerativa, autossômica dominante e hereditária que ocorre devido a uma mutação genética que gera uma sequência repetitiva de trinucleotídeos CAG, presentes no gene IT-15, gene da huntingtina, localizado no cromossomo 4. O objetivo foi revisar a neuropatologia da doença de Huntington (DH) e a utilização do método CRISPR-Cas9 para silenciar o gene IT-15 e verificar assim, a consequência nos genes HIP14 e HAP1, que possuem interação com a Huntigtina mutada e o resultado desta no organismo do paciente. Foram pesquisados artigos em bases indexadas (Scielo, PubMed e LILACs) com os seguintes descritores: ((Huntington) OR (Proteína Huntingtina)) AND (edição gênica). Também foi utilizada a ferramenta on line GeneMania, acesso livre, para análise de probabilidades e interações gênicas. O silenciamento do gene IT-15 acarreta alterações nas proteínas que interagem com a Huntingtina mutada, levando a perturbações em diversos processos.
Análise de prevalência e mortalidade associada ao melanoma cutâneo em pacientes atendidos em centro de referência no Oeste do estado de Santa Catarina, Brasil, de 2002 a 2016
Authors: Moreno Marcelo , Schmidt Juliana Cristina , Grosbelli Luiza , Dassi Maykel , Mierzwa Rafael Victor 
Published: December 2020

Objetivo: determinar a epidemiologia e as características clínicas do melanoma cutâneo (MC) na região Oeste do estado de Santa Catarina, Brasil. Métodos: este estudo transversal e descritivo avaliou o comportamento clínico e o perfil epidemiológico do MC em pacientes de 78 municípios do Oeste do Estado de Santa Catarina, Brasil, no período de 2002 a 2016, tratados no Sistema Único de Saúde. Para a análise dos dados foi utilizado o teste do Qui-quadrado. Para elaborar as curvas de sobrevida, foi considerado um período de 10 anos (teste Log Rank). Resultados: dados de 1.146 pacientes foram avaliados, e houve uma média de 20 casos/100.000 habitantes/ano. Encontravam-se nos estágios I e II 63,5% dos pacientes. A sobrevida global em 10 anos de acompanhamento foi de 89%(IC95% 87,7% - 91,5%). Pacientes do sexo feminino apresentaram maior sobrevida (94,5%; IC95% 92,7% - 96,4% vs. 82,6%; IC95% 78,9% - 86,3%; p < 0,001) e variáveis de melhor prognóstico. Conclusões: o Oeste do estado de Santa Catarina apresentou uma alta prevalência de MC. As características clínicas e epidemiológicas encontradas concordam com as descritas nas populações que residem em regiões geográficas equivalentes; mas diferem de outras regiões do Brasil. Essas diferenças, associadas à organização do sistema público de saúde de referência e contra-referência, podem explicar aos resultados de sobrevida encontrados.
Classification Accuracy of Hepatitis C Virus Infection Outcome: Data Mining Approach
Authors: Frias Mario , Moyano Jose M , Rivero-Juarez Antonio , Luna Jose M , Camacho Ángela , Fardoun Habib M , Machuca Isabel , Al-Twijri Mohamed , Rivero Antonio , Ventura Sebastian 
Published: December 2020

Background
The dataset from genes used to predict hepatitis C virus outcome was evaluated in a previous study using a conventional statistical methodology.

Objective
The aim of this study was to reanalyze this same dataset using the data mining approach in order to find models that improve the classification accuracy of the genes studied.

Methods
We built predictive models using different subsets of factors, selected according to their importance in predicting patient classification. We then evaluated each independent model and also a combination of them, leading to a better predictive model.

Results
Our data mining approach identified genetic patterns that escaped detection using conventional statistics. More specifically, the partial decision trees and ensemble models increased the classification accuracy of hepatitis C virus outcome compared with conventional methods.

Conclusions
Data mining can be used more extensively in biomedicine, facilitating knowledge building and management of human diseases.
Effects of ACT Out! Social Issue Theater on Social-Emotional Competence and Bullying in Youth and Adolescents: Cluster Randomized Controlled Trial
Authors: Agley Jon , Jun Mikyoung , Eldridge Lori , Agley Daniel L , Xiao Yunyu , Sussman Steve , Golzarri-Arroyo Lilian , Dickinson Stephanie L , Jayawardene Wasantha , Gassman Ruth 
Published: December 2020

Background
Schools increasingly prioritize social-emotional competence and bullying and cyberbullying prevention, so the development of novel, low-cost, and high-yield programs addressing these topics is important. Further, rigorous assessment of interventions prior to widespread dissemination is crucial.

Objective
This study assesses the effectiveness and implementation fidelity of the ACT Out! Social Issue Theater program, a 1-hour psychodramatic intervention by professional actors; it also measures students’ receptiveness to the intervention.

Methods
This study is a 2-arm cluster randomized control trial with 1:1 allocation that randomized either to the ACT Out! intervention or control (treatment as usual) at the classroom level (n=76 classrooms in 12 schools across 5 counties in Indiana, comprised of 1571 students at pretest in fourth, seventh, and tenth grades). The primary outcomes were self-reported social-emotional competence, bullying perpetration, and bullying victimization; the secondary outcomes were receptiveness to the intervention, implementation fidelity (independent observer observation), and prespecified subanalyses of social-emotional competence for seventh- and tenth-grade students. All outcomes were collected at baseline and 2-week posttest, with planned 3-months posttest data collection prevented due to the COVID-19 pandemic.

Results
Intervention fidelity was uniformly excellent (>96% adherence), and students were highly receptive to the program. However, trial results did not support the hypothesis that the intervention would increase participants’ social-emotional competence. The intervention’s impact on bullying was complicated to interpret and included some evidence of small interaction effects (reduced cyberbullying victimization and increased physical bullying perpetration). Additionally, pooled within-group reductions were also observed and discussed but were not appropriate for causal attribution.

Conclusions
This study found no superiority for a 1-hour ACT Out! intervention compared to treatment as usual for social-emotional competence or offline bullying, but some evidence of a small effect for cyberbullying. On the basis of these results and the within-group effects, as a next step, we encourage research into whether the ACT Out! intervention may engender a bystander effect not amenable to randomization by classroom. Therefore, we recommend a larger trial of the ACT Out! intervention that focuses specifically on cyberbullying, measures bystander behavior, is randomized by school, and is controlled for extant bullying prevention efforts at each school.

Trial Registration
Clinicaltrials.gov NCT04097496; https://clinicaltrials.gov/ct2/show/NCT04097496

International Registered Report Identifier (IRRID)
RR2-10.2196/17900
Nuestro mundo cubierto de plástico: de la movilidad global del plástico a las consecuencias y respuestas locales
Authors: Espino Penilla Marisol , Koot Yenthl 
Published: December 2020

La contaminación plástica es un problema mundial importante en la realidad actual, causado por los patrones de producción, consumo y pos-consumo de plástico. Los plásticos se han globalizado y el turismo contribuye a este proceso. Este documento busca desentrañar los diferentes impulsores detrás de la movilidad global del plástico y analizar cómo el turismo contribuye y se ve afectado por este proceso. Examina la naturaleza del problema de los residuos plásticos y cómo se intensifica con los efectos globalizadores de la industria del turismo. El caso de la Isla de Pascua, que se encuentra cerca del parche de basura más grande en el Gran Océano Pacífico, se utiliza para ilustrar cómo la movilidad global de los flujos de plástico afecta a las localidades en islas remotas cuyas economías dependen del turismo. Este caso nos permite hacer una evaluación minuciosa de la escala global de la contaminación plástica.