bluuebunny/crossref_metadata_2025 huggingface dataset:
A DIVULGAÇÃO CIENTÍFICA NO CONTEXTO DO ENSINO MÉDIO: O CENTENÁRIO DO ECLIPSE SOLAR DE SOBRAL
Authors: Ferracioli Laércio , Da Silva Thiago Pereira
Published: December 2019

Em 2019 é celebrado os 100 anos de um evento que marcou a vida de um cidadão, de uma cidade e da Ciência. O cidadão, um físico, tornou-se pop-star; a cidade, Sobral no Ceará, tornou-se palco da comprovação de uma teoria científica; a Ciência, Física, viu comprovada a Teoria da Relatividade Geral de Albert Einstein. Apresentar Einstein é tratar de ciência, cultura e arte. Abordar o Eclipse Solar de Sobral de 29 de maio de 1919 é tratar de divulgação da ciência. Implementar uma atividade sobre esse tema em nível de Ensino Médio é promover a educação científica e tecnológica através da divulgação científica. Nesse contexto, durante o segundo semestre de 2018 foi ministrada a disciplina eletiva Maura Abaurre nos 100 anos do Eclipse Solar de Sobral no Centro Estadual de Ensino Médio em Tempo Integral Profa. Maura Abaurre, localizada em Vila Velha, Espírito Santo. Em uma abordagem, histórica, científica e cronológica, Einstein, suas ideias e teorias foram apresentadas e os resultados dessa iniciativa são aqui relatados.
A INSERÇÃO DA HISTÓRIA E FILOSOFIA DA CIÊNCIA NO ENSINO DE CIÊNCIAS: UMA VISÃO GERAL A PARTIR DA ANALISE DE ARTIGOS DISPONÍVEIS NO PORTAL DE PERIÓDICOS DA CAPES
Authors: Pereira Ronaldo Coelho , Macêdo Haroldo Reis Alves de , Rodrigues Inaiara Leite
Published: December 2019

As pesquisas no campo de didática apontam para um consenso quanto aos benefícios da inserção da História e Filosofia da Educação no ensino de ciências. Há uma forte defesa que a abordagem histórico-filosófica possa contribuir para o aprendizado de conceitos e alteração das percepções distorcidas de ciência nutridas a partir das abordagens tradicionais, isso, pois em contraponto a abordagem tradicional, as estratégias usando a HFC apresentam a ciência como algo de caráter evolutivo e como um componente da cultura humana que influencia e é influenciado por aspectos históricos, sociais e culturais. Partindo dessa perspectiva, o trabalho tem por objetivo esboçar um panorama geral da inserção da HFC no ensino através de uma pesquisa qualitativa feita com uma amostra de 10 artigos disponíveis no portal “Periódicos CAPES”. Através da análise dos trabalhos pôde-se constatar uma diversidade de abordagens para o tema, as principais são: reflexões sobre a inserção e importância da HFC no ensino de ciência; investigações sobre as percepções de professores e alunos sobre o tema; análises documentais de publicações na área e de documentos institucionais e a aplicações de estratégias didáticas usando da HFC em sala. A existência dessas abordagens em diferentes vertentes permitiu mapear os pontos positivos, limitações e as principais dificuldades apresentadas nos trabalhos para a inserção da HFC no ensino de ciência.
BIOFILM FORMATION AND ANTIBIOTIC SUSCEPTIBILITY OF STROKE PATIENTâ€™S URINARY CATHETER ISOLATES AT BETHESDA HOSPITAL, YOGYAKARTA
Authors: Wijaya Budi Sarwono Christofer Sathya
Published: December 2019

Background: Antibiotic resistance currently challenges infectious disease management, specifically in combating biofilm formation. Biofilm might be developed on urinary catheter, in which stroke patients with urinary tract problem have higher risk of catheter associated urinary tract infection and problems related to antibiotic resistance.
Aim: This study describes the microbe types from catheter isolates, measuring the antibiotic susceptibility and biofilm formation, especially in stroke patients at Bethesda Hospital, Yogyakarta.
Method: This is a cross-sectional study, describing findings of specimens from stroke patients at Bethesda Hospital, since December 2018 to January 2019. The isolates were identified with standard method, the antibiotic susceptibility were tested with antibiotic disc on MHA medium, and the biofilm formation were assessed using tissue culture plate method. All procedure were done in Microbiology Laboratorium, FK UKDW.
Result: Thirty three microbes were isolated from 30 specimens of urinary catheter (63,3% male, 36,3% female). There is 76% isolates incapable of developing biofilm, while 15% is moderate biofilm producer and 9% is strong biofilm producer. The susceptibility test showed 100% resistancy of ampicillin-sulbactam, tetracyclin, ketoconazole, itraconazole, and terbinafine. Around 50% of E. coli and 57% of K. pneumonias isolates is MDR, and 75% of A. baumanii is XDR.
Conclusion: Isolated microbes from urinary catheter of stroke patients at Bethesda Hospital is dominated by E. coli, K. pneumoniae, and A. baumanii. Some of the microbes could form strong biofilm, and some of the antibiotics could not be used in the future due to their 100% resistancy on all specimens.
IMMUNOPROTECTIVE EFFECT OF MELATONIN ADMINISTRATION ON METHYLPREDNISOLONE-TREATED WISTAR MALE RAT (RATTUS NORVEGICUS)
Authors: Manus Widya Christine , Pangkahila Wimpie , Aman I Gusti Made
Published: December 2019

Background: Immune system function decreases with age. Steroid use might accelerate this process, especially in adults in Indonesia. Melatonin is a natural hormone which show antioxidant effect and immunoprotective effect. Melatonin administration might help in reviving humane immune system due to aging and exogenous steroid exposure.

Objective: This experiment is aimed to determine the effect of melatonin on leukocyte and lymphocyte count of methylprednisolone-induced immunosuppression on Wistar rat.

Method: This study was true experimental with post-test only control group design using 32 male rats. Rats were divided into control and the intervention group. Control group was given methylprednisolone 0.144 mg/200 g rat 3 times a day and distilled water. The treatment group was given methylprednisolone 0.144/200 g rat 3 times a day and 0.054 mg/200 g melatonin once daily. The blood was taken after 14 days of treatment.

Results: Intervention group shows higher lymphocytes count (4.95 Â±1.58x103/ï­L) compared to the control group (3.09ï­1.33x103/ï­L), with p < 0.01. The intervention group also has higher leukocyte count (8.37Â± 2.02x103/ï­L) compared to the control group (6.70 Â± 1.96x103/ï­L), with p
Removing the barriers on the way to European high-performance finance functions
Authors: de Waal André , Bilstra Eelco , de Roeck Peter
Published: December 2019

One of the most important staff units in an organization is the finance function, as this function maintains the relations with all parts of the organization and operates at a management team level. Therefore, this function needs to transform itself into a high-performance finance function (HPFF). Unfortunately, finance functions encounter many barriers before they can start this transformation. In this article, the research question “What are the most important barriers which have to be dealt with in order for the finance function to start its transition to a high-performance finance function?’ is addressed. For this, a review of the professional literature (as no academic studies could be found on the topic), a small-scale survey among finance professionals, and Delphi research with 14 highly experienced finance experts were conducted. The results of the research were the following Top 10 of barriers of most important obstacles: 1) inefficient and not integrated business processes; 2) data not (yet) in order; 3) insufficient leadership and insufficient will to change; 4) no culture of change and improvement in the finance function; 5) inadequate ICT systems; 6) lack of buy-in from the business for the transformation; 7) insufficient knowledge in the finance function of the business; 8) not the right capacities/people/skills in the finance function; 9) insufficient/unclear business objectives and priorities; 10) business managers do not sufficiently manage the analyses and insights provided by the finance function.
Clase Invertida: un estudio de caso con alumnos de ESO con dificultades de aprendizaje
Authors: Peinado Rocamora Pedro , Prendes Espinosa Mari Paz , Sánchez Vera M. Mar
Published: December 2019

La clase invertida es una metodología innovadora apoyada en el uso de TIC que en los últimos años ha tenido un importante impacto en educación. En este artículo presentamos un estudio empírico llevado a cabo con una metodologíade enfoque cualitativo, modelo de Investigación-Acción, con método mixto de recogida de información y un diseño de caso único seleccionado por conveniencia. Se ha utilizado la triangulación como método de validación de datos sobre cuatro instrumentos de recogida de datos: Cuaderno del Investigador, Grupos Focales, Cuestionario e Indicadores Académicos. De forma general, nuestros resultados mostraron mejoras en todos los indicadores académicos utilizados (asistencia, rendimiento, aprendizaje, motivación, organización y autorregulación), así como la opinión favorable de los estudiantes, que indicaron estar satisfechos con la metodología.
Evaluación inicial del diseño de unidades didácticas STEM gamificadas con TIC
Authors: Fuentes-Hurtado Mercedes , González Martínez Juan
Published: December 2019

En este artículo se presenta una checklist enriquecida que facilita la evaluación inicial del diseño de unidades didácticas integradas y gamificadas para STEM. Tras un trabajo colaborativo de revisión teórica y operativización entre docentes de Secundaria en activo, se llega a la consideración de los elementos clave en el diseño de unidades que integran los contenidos del ámbito científico-tecnológico como sugiere la iniciativa STEM, que implementa una metodología gamificada que fomenta la motivación y que hace uso de las tecnologías de la información y comunicación (TIC) para estimular el aprendizaje del alumnado de Secundaria, coincidiendo con lo propuesto por el modelo pedagógico TPACK que apuesta por interrelacionar contenidos, pedagogía y tecnología. Esta checklist permite valorar cuantitativamente diez parámetros obteniéndose una calificación para cada unidad didáctica proporcionando una evaluación apriorística de su calidad y permitiendo la comparación rápida entre unidades de este tipo además de orientar el propio proceso de diseño.
Selecting rep-PCR markers to source track fecal contamination in Laguna Lake, Philippines
Authors: Labrador Kevin L. , Nacario Mae Ashley G. , Malajacan Gicelle T. , Abello Joseth Jermaine M. , Galarion Luiza H. , Rensing Christopher , Rivera Windell L.
Published: December 2019

Fecal contamination is one of the factors causing deterioration of Laguna Lake. Although total coliform levels are constantly monitored, no protocol is in place to identify their origin. This can be addressed using the library-dependent microbial source tracking (MST) method, repetitive element sequence-based polymerase chain reaction (rep-PCR) fingerprinting. Serving as a prerequisite in developing the host-origin library, we assessed the discriminatory power of three fingerprinting primers, namely BOX-A1R, (GTG)5, and REP1R-1/2-1. Fingerprint profiles were obtained from 290 thermotolerant Escherichia coli isolated from sewage waters and fecal samples of cows, chickens, and pigs from regions surrounding the lake. Band patterns were converted into binary profiles and were classified using the discriminant analysis of principal components. Results show that: (1) REP1R-1/2-1 has a low genotyping success rate and information content; (2) increasing the library size led to more precise estimates of library accuracy; and (3) combining fingerprint profiles from BOX-A1R and (GTG)5 revealed the best discrimination (average rate of correct classification (ARCC) = 0.82 ± 0.06) in a two-way categorical split; while (4) no significant difference was found between the combined profiles (0.74 ± 0.15) and using solely BOX-A1R (0.76 ± 0.09) in a four-way split. Testing the library by identifying known isolates from a separate dataset has shown that a two-way classification performed better (ARCC = 0.66) than a four-way split (ARCC = 0.29). The library can be developed further by adding more representative isolates per host source. Nevertheless, our results have shown that combining profiles from BOX-A1R and (GTG)5 is recommended in developing the MST library for Laguna Lake.
Monthly pan evaporation modelling using multiple linear regression and artificial neural network techniques
Authors: Patle G. T. , Chettri M. , Jhajharia D.
Published: December 2019

Accurate estimation of evaporation from agricultural fields and water bodies is needed for the efficient utilisation and management of water resources at the watershed and regional scale. In this study, multiple linear regression (MLR) and artificial neural network (ANN) techniques are used for the estimation of monthly pan evaporation. The modelling approach includes the various combination of six measured climate parameters consisting of maximum and minimum air temperature, maximum and minimum relative humidity, sunshine hours and wind speed of two stations, namely Gangtok in Sikkim and Imphal in the Manipur states of the northeast hill region of India. Average monthly evaporation varies from 0.62 to 2.68 mm/day for Gangtok, whereas it varies from 1.4 to 4.3 mm/day for Imphal during January and June, respectively. Performance of the developed MLR and ANN models was compared using statistical indices such as coefficient of determination (R2), root mean square error (RMSE) and mean absolute error (MAE) with measured pan evaporation values. Correlation analysis revealed that temperature, wind speed and sunshine hour had positive correlation, whereas relative humidity had a negative correlation with pan evaporation. Results showed a slightly better performance of the ANN models over the MLR models for the prediction of monthly pan evaporation in the study area.
On the use of ARIMA models for short-term water tank levels forecasting
Authors: Viccione G. , Guarnaccia C. , Mancini S. , Quartieri J.
Published: December 2019

In this paper a statistical study on the time series of water levels measured, during 2014, in the water tank of Cesine, Avellino (Italy), is presented. In particular, the autoregressive integrated moving average (ARIMA) forecasting methodology is applied to model and forecast the daily water levels. This technique combines the autoregression and the moving average approaches, with the possibility to differentiate the data, to make the series stationary. In order to better describe the trend, over time, of the water levels in the reservoir, three ARIMA models are calibrated, validated and compared: ARIMA (2,0,2), ARIMA (3,1,3), ARIMA (6,1,6). After a preliminary statistical characterization of the series, the models' parameters are calibrated on the data related to the first 11 months of 2014, in order to keep the last month of data for validating the results. For each model, a graphical comparison with the observed data is presented, together with the calculation of the summary statistics of the residuals and of some error metrics. The results are discussed and some further possible applications are highlighted in the conclusions.
A modern view on revascularisation of brain and myocardium in patients with multifocal atherosclerosis: A review
Authors: Danilovich A. , Tarasov R.
Published: December 2019

Among cardiovascular diseases, multifocal atherosclerosis has begun occurring more frequently in the recent years; its manifestations such as coronary heart disease and acute cerebrovascular disease are the primary cause of death and disability worldwide. Both open and endovascular methods of surgical revascularisation of the brain and myocardium are presently used for addressing this global epidemic. Therefore, the outcomes and disease course during both the early postoperative and long-term periods in patients with multifocal atherosclerosis depend on the choice of appropriate surgical strategies. However, there is no consensus on the optimal strategies for the combined treatment of lesions in the coronary and cerebral basins. Consequently, there are no clinical recommendations or randomised trials that provide recommendations on the choice of treatment approaches in this cohort of patients. The specific treatment options are based on the personal experience of the clinic and the decision of the multidisciplinary team.Nevertheless, it is certain that carotid endarterectomy remains the gold standard for the treatment of significant stenosis of internal carotid artery, including that with complex anatomical characteristics and severe calcification; carotid endarterectomy is also the most important preventative measure for the acute violation of cerebral circulation. In addition, given the emergence of new coronary stents and the spread of intravascular imaging methods, percutaneous coronary intervention is increasing its evidence base by the year by demonstrating efficacy even in patients with concomitant left coronary artery trunk and multi-vascular coronary bed lesions.The use of carotid endarterectomy in combination with percutaneous coronary intervention in patients with lesions in both vascular basins for achieving hybrid revascularisation is promising although studied minimally.Therefore, in the present review, we aimed to present the current understanding of the methods utilised for revascularisation of the brain and myocardium as well as the hybrid revascularisation approach for the treatment of patients with multifocal atherosclerosis, with consideration given to its advantages and prospects.Received 12 April 2019. Revised 17 December 2019. Accepted 24 December 2019.Funding: The study did not have sponsorship.Conflict of interest: Authors declare no conflict of interest.
Prospecting Potential Inhibitors of Sortase A from Enterococcus faecalis: A Multidrug Resistant Bacteria, through In-silico and In-vitro Approaches
Authors: Das Satyajeet , Kumar H.S. Vijay , Pal Sudhir K. , Srivastava Vijay K. , Jyoti Anupam , Kumar Sanjit , Kaushik Sanket
Published: December 2019

Background:

Enterococcus faecalis (Ef) infections are becoming dreadfully common in
hospital environments. Infections caused by Ef are difficult to treat because of its acquired
resistance to different class of antibiotics, making it a multidrug resistant bacteria. Key pathogenic
factor of Ef includes its ability to form biofilm on the surface of diagnostic and other medical
devices. Sortase A (SrtA) is a cysteine transpeptidase which plays a pivotal role in the formation of
biofilm in Ef, hence, it is considered as an important enzyme for the pathogenesis of Ef. Thus,
inhibition of (SrtA) will affect biofilm formation, which will reduce its virulence and eventually Ef
infection will be abridged.

Objective:

To find potential inhibitors of Enterococcus faecalis Sortase A (EfSrtA) through insilico
and in-vitro methods.

Methods:

Gene coding for EfSrtA was cloned, expressed and purified. Three-dimensional model of
EfSrtA was created using Swiss-Model workspace. In-silico docking studies using Autodock vina
and molecular dynamics simulations of the modelled structures using Gromacs platform were
performed to explore potential lead compounds against EfSrtA. In-vitro binding experiments using
spectrofluorometric technique was carried out to confirm and validate the study.

Results:

In-silico docking and in-vitro binding experiments revealed that curcumin, berberine and
myricetin bound to EfSrtA at nanomolar concentrations with high affinity.

Conclusion:

This is a first structural report of EfSrtA with curcumin, berberine and myricetin.
Taking in account the herbal nature of these compounds, the use of these compounds as inhibitors
will be advantageous. This study validated curcumin, berberine and myricetin as potential inhibitors
of EfSrtA.
Nanoemulgel: A Promising Phase in Drug Delivery
Authors: Aithal Gururaj C. , Narayan Reema , Nayak Usha Y.
Published: December 2019

Recently, the delivery of hydrophobic/ poorly water-soluble drugs has been a challenging task. Various
strategies have been developed to counter the former along with other prime issues, such as stability, bioavailability
etc. However, only few formulations have been successful in addressing the problems and nanoemulgel is a
standout among them. Nanoemulgels are appropriate candidates for drug delivery because of their dual character
i.e. the presence of an emulsion in the nano scale and a gel base, both combined as a single formulation. The
nanoemulsion component of the nanoemulgel conforms protection to the active moiety by preventing the enzymatic
degradation and certain reactions like hydrolysis. The gel base attributes thermodynamic stability to the
emulsion by increasing the viscosity of the aqueous phase by decreasing the interfacial and surface tension.
Nanoemulgels possess rheological characteristics which are suited especially for topical delivery and other forms
such as dental delivery with the aid of better patient acceptance. As the globule size is present in the nano form
alongside the employment of certain penetration enhancers can increase the effectiveness of the formulation by
enhancing the permeability and diffusibility. Reports suggest that certain commercially available topical dosage
forms have a low spreading coefficient in comparison with the nanoemulgel thereby focusing on the application
of nanoemulgels in the field of dermatology, although paving way for various other fields have not been
thoroughly exploited. This comprehensive review highlights the benefits of nanoemulgel as a potential carrier for
drug delivery with an overview of few illustrations supporting the cause.
Pathophysiological Functions of the lncRNA TUG1
Authors: Guo Chong , Qi Yuying , Qu Jiayuan , Gai Liyue , Shi Yue , Yuan Chengfu
Published: December 2019

Background:

Long non-coding RNAs (lncRNAs) with little or no coding capacity are associated with
a plethora of cellular functions, participating in various biological processes. Cumulative study of lncRNA provides
explanations to the physiological and pathological processes and new perspectives to the diagnosis, prevention,
and treatment of some clinical diseases. Long non-coding RNA taurine-upregulated gene 1(TUG1) is one of
the first identified lncRNAs associated with human disease, which actively involved in various physiological
processes, including regulating genes at epigenetics, transcription, post-transcription, translation, and posttranslation.
The aim of this review was to explore the molecular mechanism of TUG1 in various types of human
diseases.

Methods:

In this review, we summarized and analyzed the latest findings related to the physiologic and pathophysiological
processes of TUG1 in human diseases. The related studies were retrieved and selected the last six
years of research articles in PubMed with lncRNA and TUG1 as keywords.

Results:

TUG1 is a valuable lncRNA that its dysregulated expression and regulating the biological processes
were found in a variety of human diseases. TUG1 is found to exhibit aberrant expression in a variety of malignancies.
Dysregulation of TUG1 has been shown to contribute to proliferation, migration, cell cycle changes,
inhibited apoptosis, and drug resistance of cancer cells, which revealed an oncogenic role for this lncRNA, but
some reports have shown downregulation of TUG1 in lung cancer samples compared with noncancerous samples.
In addition, the molecular and biological functions of TUG1 in physiology and disease (relevant to endocrinology,
metabolism, immunology, neurobiology) have also been highlighted. Finally, we discuss the limitations and
tremendous diagnostic/therapeutic potential of TUG1 in cancer and other diseases.

Conclusion:

Long non-coding RNA-TUG1 likely served as useful disease biomarkers or therapy targets and
effectively applied in different kinds of diseases, such as human cancer and cardiovascular diseases.
Influence of Plant Bioactive Compounds on Intestinal Epithelial Barrier in Poultry
Authors: Patra Amlan Kumar
Published: December 2019

Natural plant bioactive compounds (PBC) have recently been explored as feed additives to improve productivity, health and welfare of poultry following ban or restriction of in-feed antibiotic use. Depending upon the types of PBC, they possess antimicrobial, digestive enzyme secretion stimulation, antioxidant and many pharmacological properties, which are responsible for beneficial effects in poultry production. Moreover, they may also improve the intestinal barrier function and nutrient transport. In this review, the effects of different PBC on the barrier function, permeability of intestinal epithelia and their mechanism of actions are discussed, focusing on poultry feeding. Dietary PBC may regulate intestinal barrier function through several molecular mechanisms by interacting with different metabolic cascades and cellular transcription signals, which may then modulate expressions of genes and their proteins in the tight junction (e.g., claudins, occludin and junctional adhesion molecules), adherens junction (e.g., E-cadherin), other intercellular junctional proteins (e.g., zonula occludens and catenins), and regulatory proteins (e.g., kinases). Interactive effects of PBC on immunomodulation via expressions of several cytokines, chemokines, complement components, pattern recognition receptors and their transcription factors and cellular immune system, and alteration of mucin gene expressions and goblet cell abundances in the intestine may change barrier functions. The effects of PBC are not consistent among the studies depending upon the type and dose of PBC, physiological conditions and parts of the intestine in chickens. An effective concentration in diets and specific molecular mechanisms of PBC need to be elucidated to understand intestinal barrier functionality in a better way in poultry feeding.
Development of Atovaquone Nanosuspension: Quality by Design Approach
Authors: Kakade Pratik , Gite Sandip , Patravale Vandana
Published: December 2019

Objective:

The present study reports the use of MicrofluidizerTM technology to form a stable
nanosuspension of atovaquone (ATQ) using quality by design (QbD) approach.

Methods:

The patient-centric quality target product profile and critical quality attributes (CQAs) were
identified. A Box-Behnken design was employed for the optimization of dependent variables, while
CQAs like particle size and PDI were evaluated as response variables. Effective optimization of ATQ
nanosuspension preparation using Microfluidizer processor as a novel green technology was achieved
using QbD approach.

Result:

The prepared nanosuspension had a mean particle size of 865 nm ± 5%, PDI of 0.261 ± 3%, and
zeta potential of -1.79 ± 5 mV. The characterization of the prepared nanosuspension by SEM, DSC, and
XRD revealed its nano-crystalline nature whereas FTIR spectroscopic analysis confirmed the absence
of any physicochemical interaction because of process parameters between the drug and excipients.

Conclusion:

In vitro dissolution studies of the nanosuspension using USP-IV exhibited a 100% cumulative
drug release over 90 minutes, which is significantly better than that of ATQ pure API. In vivo
pharmacokinetic studies revealed bioequivalence of ATQ nanosuspensions by Microfluidizer homogenization
process to the marketed formulation1.
MCDCalc: Markov Chain Molecular Descriptors Calculator for Medicinal Chemistry
Authors: Carracedo-Reboredo Paula , Corona Ramiro , Martinez-Nunes Mikel , Fernandez-Lozano Carlos , Tsiliki Georgia , Sarimveis Haralambos , Aranzamendi Eider , Arrasate Sonia , Sotomayor Nuria , Lete Esther , Munteanu Cristian Robert , González-Díaz Humbert
Published: December 2019

Aim:

Cheminformatics models are able to predict different outputs (activity, property,
chemical reactivity) in single molecules or complex molecular systems (catalyzed organic synthesis,
metabolic reactions, nanoparticles, etc.).

Background:

Cheminformatics models are able to predict different outputs (activity, property, chemical
reactivity) in single molecules or complex molecular systems (catalyzed organic synthesis, metabolic
reactions, nanoparticles, etc.).

Objective:

Cheminformatics prediction of complex catalytic enantioselective reactions is a major goal
in organic synthesis research and chemical industry. Markov Chain Molecular Descriptors (MCDs)
have been largely used to solve Cheminformatics problems. There are different types of Markov chain
descriptors such as Markov-Shannon entropies (Shk), Markov Means (Mk), Markov Moments (πk), etc.
However, there are other possible MCDs that have not been used before. In addition, the calculation of
MCDs is done very often using specific software not always available for general users and there is not
an R library public available for the calculation of MCDs. This fact, limits the availability of MCMDbased
Cheminformatics procedures.

Methods:

We studied the enantiomeric excess ee(%)[Rcat] for 324 α-amidoalkylation reactions. These
reactions have a complex mechanism depending on various factors. The model includes MCDs of the
substrate, solvent, chiral catalyst, product along with values of time of reaction, temperature, load of
catalyst, etc. We tested several Machine Learning regression algorithms. The Random Forest regression
model has R2 > 0.90 in training and test. Secondly, the biological activity of 5644 compounds against
colorectal cancer was studied.

Results:

We developed very interesting model able to predict with Specificity and Sensitivity 70-82%
the cases of preclinical assays in both training and validation series.

Conclusion:

The work shows the potential of the new tool for computational studies in organic and medicinal
chemistry.
Novel [6]-gingerol Triazole Derivatives and their Antiproliferative Potential against Tumor Cells
Authors: de Lima Silva William Cezar , Conti Raphael , de Almeida Larissa Costa , Morais Pedro Alves Bezerra , Borges Keyller Bastos , Júnior Valdemar Lacerda , Costa-Lotufo Letícia Veras , de Souza Borges Warley
Published: December 2019

Background:

Effective cancer treatment is a major public health challenge. The limitations of
current therapies and their adverse effects reduce the efficacy of treatment, leading to significant mortality
rates worldwide. Moreover, natural product chemistry occupies a prominent role in the search for
new treatment alternatives, by contributing a spectrum of chemical structures that may potentially yield
new bioactive compounds. The compound [6]-gingerol (1) is the main active substance in ginger
(Zingiber officinale) and several studies have shown it to produce beneficial effects, including antitumor
activity.

Objective:

This work aims to obtain new gingerol derivatives with cytotoxic activity.

Method:

[6]-gingerol was isolated and its derivatives were produced using click chemistry, obtaining
eight new compounds. All chemical structures were determined by means of IR, NMR and HRMS data,
and cytotoxicity was evaluated in the HCT 116 (colon carcinoma) and MCF-7 (breast carcinoma) cell
lines at concentrations of 5 µmol L-1 and 50 µmol L-1.

Results:

At 50 µmol L-1, more than 70% inhibition of cell growth was achieved with compounds 2e, 2g
against HCT 116, and 2b, 2d, 2e, 2f and 2g against MCF-7.

Conclusion:

The obtained compounds showed only moderate cytotoxic activity. However, the products
with substituents occupying the meta position in relation to the triazole ring showed increased cytotoxic
properties. The brominated compound (2g) showed the strongest activity, inhibiting cell proliferation by
87%.
β-D-Mannuronic Acid (M2000) as a Landmark in Pharmacology
Authors: Gaafar Nada A.G. , Razavi Alireza , Mirshafiey Abbas
Published: December 2019

Objectives:

The goal of this article is to retrace the studies of β-D-Mannuronic Acid
(M2000) as a new immunosuppressive drug with non-steroidal anti-inflammatory drugs
(NSAIDs) property in miscellaneous aspects including in vitro, in vivo examinations, clinical trials
and related to clinical trials studies. Our goal is to compare the effect of this drug with other
similar drugs through varied researches and to follow tolerability, biocompatibility, potency, safety,
and efficacy of this medication in different studies, as well as to evaluate its therapeutic effectiveness
in various diseases.

Materials and Methods:

Different methods were applied in the studies of β-D-Mannuronic Acid
under in vitro, in vivo examinations, and clinical trials phase I, II and III and related investigations
to these clinical trials using different techniques showing the efficacy of this medication in the
treatment of various diseases.

Results:

The administration of β -D-Mannuronic Acid showed the greatest tolerability and biocompatibility
compared to diclofenac, piroxicam, and dexamethasone without or very low side
effects. The drug has shown a punchy effect on many molecules which participate either in physiologic
or in pathogenic activities in animal models and human. This new drug not only revealed
the anti-inflammatory and immunosuppressive properties but also based on the results of various
investigations, β-D-Mannuronic Acid showed the antidiabetic, cardioprotective and anti-tumoral
effects.

Conclusion:

β-D-Mannuronic Acid (M2000) as a novel immunosuppressive drug with NSAID
properties along with antidiabetic, cardioprotective and anti-tumoral efficacy showed great tolerability
and safety profile. In addition, it has no or mild adverse events compared with many other
medicines, therefore this medicament could be considered as a landmark in pharmacology and
represent turn point in the treatment of different diseases based on the experimental and in vitro
studies explained and clinical and related studies proved.
Advances in Management of Food Allergy in Children
Authors: Chiera Fernanda , Caminiti Lucia , Crisafulli Giuseppe , Pajno Giovanni Battista
Published: December 2019

Food allergy is a potentially life-threatening medical condition and a significant public
health concern worldwide. The current management consists of strict avoidance of the culprit food
and treating any adverse reactions from unintended food ingestion. The increasing prevalence of
food allergy encouraged research and clinical trials in the field of specific allergen immunotherapy
(AIT) which represents an appealing approach, especially in pediatric age. AIT consists of the
gradual administration of growing amounts of the offending allergen in order to induce food desensitization,
which is an increase in the threshold for reactivity while continuing on regular exposure
to the allergen. AIT can be administered through oral, sublingual, epicutaneous, and subcutaneous
routes. Reports on oral immunotherapy (OIT) thus far have been more extensive. The desirable
goal is to achieve "post desensitization effectiveness", that is the ability to introduce food without
reaction even after a period of discontinuation of the offending food. Other therapeutic approaches
are being studied alongside immunotherapy such as modified proteins, probiotics, Chinese herbal
supplements, biologic therapies, and DNA vaccines.
An Automated Method for Detecting the Scar Tissue in the Left Ventricular Endocardial Wall Using Deep Learning Approach
Authors: Singh Yashbir , Shakyawar Deepa , Hu Weichih
Published: December 2019

Background:

Image evaluation of scar tissue plays a significant role in the diagnosis of
cardiovascular diseases. Segmentation of the scar tissue is the first step towards evaluating the
morphology of the scar tissue. Then, with the use of CT images, the deep learning approach can
be applied to identify possible scar tissue in the left ventricular endocardial wall.

Objective:

To develop an automated method for detecting the endocardial scar tissue in the left
ventricular using Deep learning approach.

Method:

Pixel values of the endocardial wall for each image in the sequence were extracted.
Morphological operations, including defining regions of the endocardial wall of the LV where
scar tissue could predominate, were performed. Convolutional Neural Networks (CNN) is a deep
learning application, which allowed choosing appropriate features from delayed enhancement cardiac
CT images to distinguish between endocardial scar and healthy tissues of the LV by applying
pixel value-based concepts.

Result:

We achieved 89.23% accuracy, 91.11% sensitivity, and 87.75% specificity in the detection
of endocardial scars using the CNN-based method.

Conclusion:

Our findings reveal that the CNN-based method yielded robust accuracies in LV endocardial
scar detection, which is currently the most extensively used pixel-based method of deep
learning. This study provides a new direction for the assessment of scar tissue in imaging modalities
and provides a potential avenue for clinical adaptations of these algorithms. Additionally this
methodology, in comparison with those in the literature, provides specific advantages in its translational
ability to clinical use.
Synthesis and Evaluation of 5-imino-4-thioxoimidazolidin-2-one Derivatives as Antibacterial and Antifungal Agents
Authors: Abbas Samir Y. , El-Sharief Marwa A.M. Sh. , Al-Harbi Reem A.K. , El-Gammal Eman W. , El-Sharief Ahmed M.S.
Published: December 2019

Objective:

It was interesting to synthesize some new 5-imino-4-thioxoimidazolidin-2-
one derivatives with different halogenated and alkylated aromatic substituents at N-(1) and N-(3)
and evaluation of their expected antibacterial and antifungal activities.

Methods:

New 5-imino-4-thioxoimidazolidin-2-one derivatives were synthesized through the reaction of different halogenated and alkylated N-arylcyanothioformamides with halogenated and alkylated aryl isocyanates.

Results:

5-Imino-4-thioxoimidazolidin-2-ones were obtained in high yields with excellent purity. The activities of imidazolidines as antibacterial and antifungal agents were studied. Some of imidazolidine derivatives displayed significant antibacterial and antifungal activities.

Conclusion:

5-Imino-4-thioxoimidazolidin-2-ones were obtained in 77-90% yields with excellent purity. The antibacterial and antifungal activities suggest that some of the imidazole derivatives possess significant antimicrobial activity against B. subtilis, K. pneumonia and C. albicans and moderate activity against S. aureus.
Synthesis and 4D-QSAR Studies of Alanine Hydroxamic Acid Derivatives as Aminopeptidase N Inhibitors
Authors: Gao Min , Lv QiaoLi , Zhang HouPan , Tu GuoGang
Published: December 2019

Background:

As a target for anticancer treatment, aminopeptidase N (APN) shows its
overexpression on diverse malignant tumor cells and associates with cancer invasion, angiogenesis
and metastasis.

Objective:

The objective of the study was the design, synthesis and biological activity evaluation
of alanine hydroxamic acid derivatives as APN inhibitors, and investigation of the binding mode
of inhibitors in the APN active site.

Methods:

Alanine hydroxamic acid derivatives were synthesized and evaluated for their in vitro
anti-cancer activity using CCK-8 assay. Molecular docking and 4D-QSAR studies were carried out
to suggest the mechanism of biological activity.

Results:

Compared with Bestatin, compound 9b showed the best APN inhibition activity. The putative
binding mode of 9b in the APN active site was also discussed. Moreover, the robust and reliable
4D-QSAR model exhibited the following statistics: R2 = 0.9352, q2
LOO = 0.8484, q2
LNO
=0.7920, R2
Pred = 0.8739.

Conclusion:

Newly synthesized compounds exerted acceptable anticancer activity and further
investigation of the current scaffold would be beneficial.
Prospects for Discovering the Secondary Metabolites of Cordyceps Sensu Lato by the Integrated Strategy
Authors: Bibi Shabana , Wang Yuan-Bing , Tang De-Xiang , Kamal Mohammad Amjad , Yu Hong
Published: December 2019

:

Some species of Cordyceps sensu lato are famous Chinese herbs with
significant biological activities, often used as edible food and traditional medicine in China.
Cordyceps represents the largest entomopathogenic group of fungi, including 40 genera and 1339
species in three families and incertae sedis of Hypocreales.

Objective:

Most of the Cordyceps-derivatives have been approved clinically for the treatment of
various diseases such as diabetes, cancers, inflammation, cardiovascular, renal and neurological
disorders and are used worldwide as supplements and herbal drugs, but there is still need for
highly efficient Cordyceps-derived drugs for fatal diseases with approval of the U.S. Food and
Drug Administration.

Methods:

Computer-aided drug design concepts could improve the discovery of putative Cordyceps-
derived medicine within less time and low budget. The integration of computer-aided drug
design methods with experimental validation has contributed to the successful discovery of novel
drugs.

Results:

This review focused on modern taxonomy, active metabolites, and modern drug design
techniques that could accelerate conventional drug design and discovery of Cordyceps s. l. Successful
application of computer-aided drug design methods in Cordyceps research has been discussed.

Conclusion:

It has been concluded that computer-aided drug design techniques could influence the
multiple target-focused drug design, because each metabolite of Cordyceps has shown significant
activities for the various diseases with very few or no side effects.
Design, Synthesis, and Biological Evaluation of 4-amino Substituted 2Hchromen- 2-one Derivatives as an NEDD8 Activating Enzyme Inhibitor in Pancreatic Cancer Cells
Authors: Zhu Lijuan , Lu Peng , Gong Lei , Lu Cheng , Li Mengli , Wang Yubin
Published: December 2019

Background:

NEDD8 activating enzyme (NAE) plays a critical role in various cellular
functions in carcinomas. The selective inhibition of NAE could mediate the rate of ubiquitination
and the subsequent degradation of proteins associated with cancer so as to achieve the purpose of
treatment.

Objective:

In this article, we decided to study the synthesis and screening of 4-amino substituted
2H-chromen-2-one derivatives against cancer cell lines, specifically the human pancreatic cancer
cell line BxPC-3.

Methods:

After synthesis of twenty targeted compounds, we evaluated their anti-proliferative activity
against six cancer cell lines, cytotoxicity against three normal cell lines through MTT assay,
and hemolysis to screen out the candidate compound, which was further conducted drug-like
physical property measurement, target confirmation by enzyme-based experiment, cell apoptosis,
and synergistic effect research.

Results:

Starting from intermediates 4 and 5, several new 4-amino substituted 2H-chromen-2-one
derivatives (9-28) were synthesized and evaluated for their cell activities using six cancer cell
lines. We performed tests of cytotoxicity, hemolysis, ATP-dependent NAE inhibition in the enzyme-
based system, apoptosis, and synergistic effect in BxPC-3 cells against the best candidate
compound 21.

Conclusion:

Based on these results, we found that compound 21 inhibited NAE activity in an
ATP-dependent manner in the enzyme-based system, induced apoptosis in BxPC-3 cells, and synergized
with bortezomib on BxPC-3 cell growth inhibition. Additionally, it had low toxicity with
reasonable Log P-value and water solubility.
Antidiabetic Activity of Dihydropyrimidine Scaffolds and Structural Insight by Single Crystal X-ray Studies
Authors: Bairagi Keshab M. , Younis Nancy S. , Emeka Promise M. , Sangtani Ekta , Gonnade Rajesh G. , Venugopala Katharigatta N. , Alwassil Osama I. , Khalil Hany E. , Nayak Susanta K.
Published: December 2019

Background:

This research project is designed to identify the anti-diabetic effects of the
newly synthesized compounds to conclude the perspective of consuming one or more of these new
synthetic compounds for diabetes management.

Introduction:

A series of dihydropyrimidine (DHPM) derivative bearing electron releasing and
electron-withdrawing substituent’s on phenyl ring (a-j) were synthesized and screened for antihyperglycemic(
anti-diabetic) activity on streptozotocin (STZ) induced diabetic rat model. The
newly synthesized compounds were characterized by using FT-IR, melting point, 1H and 13C NMR
analysis. The crystal structure and supramolecular features were analyzed through single-crystal
X-ray study. Anti-diabetic activity testing of newly prepared DHPM scaffolds was mainly based
on their relative substituent on the phenyl ring along with urea and thiourea. Among the synthesized
DHPM scaffold, the test compound c having chlorine group on phenyl ring at the ortho position
to the hydropyrimidine ring with urea and methyl acetoacetate derivative shows moderate
lowering of glucose level. However, the title compounds methyl 4-(4-hydroxy-3-methoxyphenyl)-
6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate(g) and ethyl 4-(3-ethoxy-4-
hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate(h) having methoxy
and ethoxy substituents on phenyl ring show significant hypoglycemic activity compared to the
remaining compounds from the Scheme 1.

Methods:

The experimental rat models for the study were divided into 13 groups (n = 10); group 1
animals were treated with 0.5% CMC (0.5mL) (vehicle); group 2 were considered the streptozotocin
(STZ)/nicotinamide diabetic control group (DC) and untreated, group 3 diabetic animals were
administered with gliclazide 50 mg/kg and act as a reference drug group. The remaining groups of
the diabetic animals were administered with the newly synthesized dihydropyrimidine compounds
in a single dose of 50 mg/kg orally using the oral gavage, daily for 7 days continuously. The
blood glucose level was measured before and 72 hrs after nicotinamide-STZ injection, for confirmation
of hyperglycemia and type 2 diabetes development.

Results:

Blood glucose levels were significantly (p<0.05) reduced after treatment with these derivatives.
The mean percentage reduction for gliclazide was 50%, while that of synthesized compounds
were approximately 36%.

Conclusion:

Our result suggests that the synthesized new DHPM derivative containing alkoxy
group on the phenyl ring shows a significant lowering of glucose level compared to other derivatives.
Antimicrobial Effect of Quercus robur L. Leaves Selective Extracts from the Mezi Mountain of Djeniene Bourezg (West of Algeria)
Authors: Benyagoub Elhassan , Nabbou Nouria , Dine Amal
Published: December 2019

Background:

Algeria, by its vast terrestrial extent and its climatic variation, has an abundant,
rich and varied flora in which it was counted many aromatic and medicinal species that provide bioactive
compounds characterized by their broad biological activities. In this context, this work is based on
the evaluation of the antimicrobial activity of Quercus robur L. leaves extracts (Family of Fagaceae).

Methods:

Firstly, the collected plant material was defatted; then, the extraction of tannins and saponins
was carried out according to a standard protocol where the extracts obtained were tested on some uropathogenic
microbial strains by disk diffusion method with the determination of the Minimum Inhibitory
Concentrations (MICs) by broth macro-dilution method.

Results:

The extraction yield of the selective extracts was 7.93 and 16.94% for tannins and saponins,
respectively. The antibiotic resistance profile of the tested strains showed a resistance relatively important
to several antibiotics, namely amoxicillin +clavulanic acid and ampicillin for Escherichia coli,
while Pseudomonas aeruginosa showed resistance to amoxicillin+clavulanic acid, amikacin, cefotaxime
and ceftazidime. However, Staphylococcus aureus was susceptible to penicillin, gentamicin, ofloxacin
and chloramphenicol. Antifungal susceptibility testing has been shown that Candida albicans was susceptible
to amphotericin B, econazole and it was clinically categorized as intermediate to miconazole
drug. For antimicrobial tests, the tannins and saponins extracts exhibited a low to strong inhibitory effect
at tested concentrations lower than 30 mg/mL (ranged from no inhibition to an inhibition zone diameter
of 17.5 mm), depending on dose levels and tested microbial strains.

Conclusion:

This activity is proportional to the tested concentrations, knowing that tannins extract was
more active compared to saponins extract. For this, Q. robur could constitute an important source for
drug discovery.