bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis of Spiro[cycloalkane-pyridazinones] with High Fsp3 Character Part 2*
Authors: Für Csilla Sepsey , Horváth Eszter Judit , Szigetvári Áron , Dékány Miklós , Hazai László , Keglevich György , Bölcskei Hedvig 
Published: August 2020

Abstract:
An extended compound library of spiro[cycloalkane-pyridazinones] with a high Fsp3 character
is targeted. There are two possibilities to improve the physicochemical parameters of a drug candidate
molecules or building blocks, either to replace the aromatic systems with bioisoster heteroaromatic
moieties, e.g. with one or two nitrogen containing ring systems (pyridines, pyridazines, pyrimidines,
etc.), or to increase the Fsp3 character of the compounds. Using a new synthetic approach,
the Grignard reaction of 2-oxaspiro[4.5]decane-1,3-dione and 2-oxaspiro[4.4]nonane-1,3-dione with
p-halophenyl- or p-alkylphenyl-magnesium bromide resulted in the formation of the corresponding
2-oxoethyl-cycloalkanecarboxylic acids, which served as starting materials for the pyridazinones by
reaction with hydrazine or phenylhydrazine. The pyridazinones obtained were alkylated with methyliodide
or benzylbromide. 16 Novel 4-tolyl- or 4-halophenyl-2,3-diazaspiro[5.5]undec-3-en-1-one and
4-tolyl- or 4-halopyhenyl-7,8-diazaspiro[4.5]dec-8-en-6-one, and their N-methyl, N-benzyl, and
N-phenyl derivatives were synthetized. The physicochemical parameters and the Fsp3 character of the
novel compounds obtained were studied. A few of them showed excellent logP and clogP values, but
the introduction of a further phenyl group seemed to be disadvantageous.
Synthesis of Pyrazole-Carboxamides and Pyrazole-Carboxylic Acids Derivatives: Simple Methods to Access Powerful Building Blocks
Authors: Ferreira Byanca Silva , Silva Rafaela Corrêa , Souto Bernardo Araújo , dos Santos Maurício Silva 
Published: August 2020

Abstract:
Hybrid systems containing pyrazole moiety show a wide spectrum of biological activities.
To access novel hybrids with pyrazole ring, in this work we synthesized twenty pyrazole-carboxylic
acids and twenty pyrazole-carboxamides, using simple synthetic methods, to be used as building blocks
in the development of new structures.
Preliminary Identification of Hamamelitannin and Rosmarinic Acid as COVID-19 Inhibitors Based on Molecular Docking
Authors: Sarkar Kaushik , Das Rajesh Kumar 
Published: August 2020

Background:
Recently, novel coronavirus disease, COVID-19 caused the outbreak situation
of global public health. In this pandemic situation, all the people's lives of 212 Countries and
Territories have been affected due to partial or complete lockdown and also as a result of mandatory
isolations or quarantines. This is due to the non-availability of any secure vaccine.

Objective:
The present study helps us to identify and screen the best phytochemicals as potent inhibitors
against COVID-19.

Methods:
In this paper, we choose two standard drugs namely hamamelitannin and rosmarinic acid
as a probable inhibitor of pandemic COVID-19 receptor as compared to antimalarial drugs hydroxychloroquine,
anti-viral drug remdesivir, and also baricitinib. This study was done by taking
into consideration of molecular docking study, performed with Auto Dock 4.0 (AD4.0). All chemical
structures were optimized with the Avogadro suite by applying the MMFF94 force field and also
hamamelitannin, rosmarinic acid was optimized using the Gaussian G16 suite of UB3LYP/6-
311++G(d,p) basis set. Protein-ligand interaction was visualized by PyMOL software.

Results:
This work has provided an insightful understanding of protein-ligand interaction of hamamelitannin
and rosmarinic acid showing comparable binding energies than that of clinically applying
probable COVID-19 inhibitors hydroxychloroquine (an anti-malarial drug) and remdesivir (an
anti-viral drug).

Conclusions:
We will expect that if its anti-SARS-CoV-2 activity is validated in human clinical trials,
these two drugs may be developed as an effective antiviral therapeutics towards infected patients
in this outbreak and pandemic situation of COVID-19.
Novel Coronavirus 2019 Outbreak: A Global Epidemic
Authors: Kamboj Sweta , Kamboj Rohit , Kamboj Shikha , Guarve Kumar , Dutt Rohit 
Published: August 2020

Background:
In the 1960s, the human coronavirus was designated, which is responsible
for the upper respiratory tract disease in children. Back in 2003, mainly 5 new coronaviruses were
recognized. This study directly pursues to govern knowledge, attitude and practice of viral and droplet
infection isolation safeguard among the researchers during the outbreak of the COVID-19.

Introduction:
Coronavirus is a proteinaceous and infectious pathogen. It is an etiological agent of
severe acute respiratory syndrome (SARS) and the Middle East respiratory syndrome (MERS).
Coronavirus, appeared in China from the seafood and poultry market last year, which has spread in
various countries, and has caused several deaths.

Methods:
The literature data has been taken from different search platforms like PubMed, Science
Direct, Embase, Web of Science, who.int portal and complied.

Results:
Corona virology study will be more advanced and outstanding in recent years. COVID-19
epidemic is a threatening reminder not solely for one country but all over the universe.

Conclusion:
In this review article, we encapsulated the pathogenesis, geographical spread of coronavirus
worldwide, also discussed the perspective of diagnosis, effective treatment, and primary
recommendations by the World Health Organization, and guidelines of the government to slow
down the impact of the virus are also optimistic, efficacious and obliging for the public health.
However, it will take a prolonged time in the future to overcome this epidemic.
Effect of Cooking Methods on Canned Chontaduro (Bactris gasipaes Kunth)
Authors: Acurio Liliana , Salazar Diego , Álvarez Fernando , Valencia Álex , García Evelyn , Arancibia Mirari 
Published: August 2020

Background::
The aim of the work was to determine the effects of the stage of peeling
and different thermal processes on the physicochemical and sensory properties of canned peach
palm or Chontaduro (Bactris gasipaes).

Methods::
The thermal processes involved two cooking temperatures (107 and 92ºC) and three
types of cooking and peeling process (unpeeled, peeled after cooking process and peeled before
cooking process).

Results::
The thermal process resulted in a decrease of soluble solids and an increase in the pH, following
a second-degree polynomial equation; also, a decrease in protein content, total carotenoids
and hardness.

Conclusion::
Canned chontaduro, previously peeled and cooked at 107ºC, had significantly better
physicochemical, nutritional, microbiological and sensory properties.
Perspective on Acetylcholinesterase: A Potential Target for Alzheimer’s Disease Intervention
Authors: Basnet Rajesh , Khadka Sandhya , Basnet Buddha Bahadur , Gupta Radheshyam 
Published: August 2020

Background:
Alzheimer's disease (AD) is an unexplained progressive degenerative brain
disease; it accounts for 60-70% of dementia cases worldwide, has an estimated global incidence of
24.3 million, and is associated with deterioration of the central nervous system. Acetylcholinesterase
(AChE) is an enzyme that catalyzes the breakdown of acetylcholine to acetate and choline. It is also
the potential target of most of the clinically used drugs for the treatment of AD. The degeneration of
cholinergic neurons and the loss of neural transmission are the main reasons for the decline of cognitive
ability in AD patients.

Objective:
In recent years, the development of targeted drugs in AD has made significant achievements.
The global impact of AD continues to grow, and as a result, the focus of disease-modifying
therapies remains elusive. The role of treatment is not limited to pharmacology but involves many
factors, such as the psychological, social, and economic aspects of the patient and family. AChE is an
important target in AD to consider the use of AChE inhibitors in patients with mild to moderate AD,
even though the costs are high and no other direct progress has been made. Although there are many
AChE inhibitors, there is no selective potent inhibitor for AChE. There is still a need to address human
AChE structure, provide key insights into key protein-ligand interactions, and provide the basis
for molecular modeling and structure-based drug design.

Conclusion:
In this review, we briefly introduce the clinical characteristics of AD, the development
of crystal structure, and the latest research on AD. In recent years, the development of different strategies
for amyloid-β, BACE1, and type-1 interferon receptor alpha-1 has attracted great attention.
There is an urgent need to further characterize available instrumental compounds to explore the use
of new selectivity and key protein-ligand interactions in AD. In the past few decades, great progress
has been made in the treatment of AD, but AD is still one of the world's problems, and the inability
to cure AD, indicates that there is an urgent need for new treatments.
ICH/FDA Guidelines-Compliant Validated Stability-Indicating HPLC-UV Method for the Determination of Axitinib in Bulk and Dosage Forms
Authors: Darwish Ibrahim A. , Khalil Nasr Y. , AlZeer Mohammad 
Published: August 2020

Background:
Axitinib (AXT) is a member of the new generation of the kinase inhibitor
indicated for the treatment of advanced renal cell carcinoma. Its therapeutic benefits depend on assuring
the good-quality of its dosage forms in terms of content and stability of the pharmaceutically active
ingredient.

Objective:
This study was devoted to the development of a simple, sensitive and accurate stabilityindicating
high-performance liquid chromatographic method with ultraviolet detection (HPLC-UV)
for the determination of AXT in its bulk and dosage forms.

Methods:
Waters HPLC system was used. The chromatographic separation of AXT, internal standard
(olaparib), and degradation products were performed on the Nucleosil CN column (250 × 4.6
mm, 5 μm). The mobile phase consisted of water:acetonitrile:methanol (40:40:20, v/v/v) with a flow
rate of 1 ml/min, and the UV detector was set at 225 nm. AXT was subjected to different accelerated
stress conditions and the degradation products, when any, were completely resolved from the intact
AXT.

Results:
The method was linear (r = 0.9998) in the concentration range of 5-50 μg/ml. The limits of
detection and quantitation were 0.85 and 2.57 μg/ml, respectively. The accuracy of the method,
measured as recovery, was in the range of 98.0-103.6% with relative standard deviations in the range
of 0.06-3.43%. The results of stability testing revealed that AXT was mostly stable in neutral and oxidative
conditions; however, it was unstable in alkaline and acidic conditions. The kinetics of degradation
were studied, and the kinetic rate constants were determined. The proposed method was successfully
applied for the determination of AXT in bulk drug and dosage forms.

Conclusions:
A stability-indicating HPLC-UV method was developed and validated for assessing
AXT stability in its bulk and dosage forms. The method met the regulatory requirements of the International
Conference on Harmonization (ICH) and the Food and Drug Administration (FDA). The results
demonstrated that the method would have great value when applied in quality control and stability
studies for AXT.
Carbon Nanomaterial-Based Drug Sensing Platforms Using State-of-the-
Art Electroanalytical Techniques
Authors: Kaya S. Irem , Cetinkaya Ahmet , Ozkan Sibel A. 
Published: August 2020

Background:
Currently, nanotechnology and nanomaterials are considered as the most popular and outstanding
research subjects in scientific fields ranging from environmental studies to drug analysis. Carbon nanomaterials such as
carbon nanotubes, graphene, carbon nanofibers etc. and non-carbon nanomaterials such as quantum dots, metal
nanoparticles, nanorods etc. are widely used in electrochemical drug analysis for sensor development. Main aim of drug
analysis with sensors is developing fast, easy to use and sensitive methods. Electroanalytical techniques such as
voltammetry, potentiometry, amperometry etc. which measure electrical parameters such as current or potential in an
electrochemical cell are considered economical, highly sensitive and versatile techniques.

Methods:
Most recent researches and studies about electrochemical analysis of drugs with carbon-based nanomaterials were
analyzed. Books and review articles about this topic were reviewed.

Results:
The most significant carbon-based nanomaterials and electroanalytical techniques were explained in detail. In
addition to this; recent applications of electrochemical techniques with carbon nanomaterials in drug analysis was expressed
comprehensively. Recent researches about electrochemical applications of carbon-based nanomaterials in drug sensing were
given in a table.

Conclusion:
Nanotechnology provides opportunities to create functional materials, devices and systems using
nanomaterials with advantageous features such as high surface area, improved electrode kinetics and higher catalytic
activity. Electrochemistry is widely used in drug analysis for pharmaceutical and medical purposes. Carbon nanomaterials
based electrochemical sensors are one of the most preferred methods for drug analysis with high sensitivity, low cost and
rapid detection.
Rapid Evaluation Method for Propofol Abusing with Hair by Using Centrifugal Filter and Liquid Chromatography-tandem Mass Spectrometry
Authors: Pyo Jaesung 
Published: August 2020

Background:
Since propofol is rapidly metabolized and excreted from the body, it is not
easy to quantify its intake in blood or urine samples over the time. In this case, the hair sample would
be more advantageous to estimate during the abuse period. However, the presence of protein and lipid in
the hair sample could interfere with extraction and be problematic during mass spectrometric analysis.

Objective:
The aim of this study is to develop a simple and less time-consuming method for the extraction
of propofol glucuronide by removing hair interferences with the centrifugal filter.

Methods:
Hair samples were washed and dissolved with sodium hydroxide solution. This dissolved
hair solution was applied to the centrifugal filter and centrifuged. The filtrate was extracted with ethyl
acetate and evaporated to dryness. The residue was reconstituted with methanol and analyzed by liquid
chromatography coupled with tandem mass spectrometry. This developed analytical method was validated
by testing linearity, selectivity, accuracy, precision, recovery, matrix effect and stability of
propofol glucuronide.

Results:
The validation results showed good linearity over the concentration range of 0.5~500 pg/mg,
with a correlation coefficient of 0.9991. The LOD and LLOQ were 0.2 and 0.5 pg/mg, respectively.
The intra-and inter-day precision and accuracy were acceptable within 14.5% for precision and 10.1%
for accuracy. Similarly, the developed method revealed high sample recovery (>88%), low hair matrix
effect (<10%) and highly-efficient extraction procedure.

Conclusion:
This well-validated procedure was successfully applied to determine propofol glucuronide
in a rat hair sample and can be applicable, with high potential, in the field of forensic toxicology especially
with increasing abuse and accidental overdose of propofol.
A Validated Non-compendial Method for Determination of Haemodialysis Concentrate’s Contents and its Comparison with Compendial Method: Application of ISO 13958:2014 Standard
Authors: Ahmed Mahmood , Ahmad Saghir , Hussain Riaz , Khaleeq Anum , Khan Iram 
Published: August 2020

Background:
Haemodialysis is a process to remove the waste products and excess fluids
that build up in the human body when kidneys stop working. Haemodialysis concentrate consists of
two parts, acid concentrate (Part A) that contains mineral ions (Na, K, Mg and Ca) and buffering agent
acetic acid /citric acid whereas basic concentrate (Part B) comprises sodium bicarbonate alone or in
combination with sodium chloride.

Aim:
Present research aimed to develop and validate a rapid method for the determination of cations
and anions in haemodialysis concentrates in solution and powder form by choosing one technique
among various suggested in ISO 13958:2014.

Methods:
The analysis was done by flame emission (flame photometer), atomic absorption spectrometer
(AAS), polarimetric and titrimetric techniques. ICH guidelines were followed for method validation
by addressing the linearity, accuracy, precision and detection limits (LOD and LOQ).

Results and Discussion:
The calibration curves were linear for Mg, Ca, K and Na with coefficient of
determination (R2) ≥ 0.9978 and regression data indicating the excellent linearity for the selected concentration
range for each content. The recovery results were obtained between the ranges 96.9-102.5 %
which were good enough to justify the suitability of the proposed method for its intended applications.
Statistical analysis indicated that there was no significant difference was observed between the proposed
and compendial method at 95 % confidence of interval.

Conclusion:
The advantage of the proposed method over the compendial method by virtue of its economy
and fast with reliable results because more reagents and chemicals are consumed in the compendial
method.
Exhibition of Novel Photocatalytic Activity and Photoluminescence Properties with High Inhibition Towards Bacterial Growth by Hydrothermally Grown ZnO Nanorods
Authors: Sahu Dojalisa , Panda Nihar Ranjan 
Published: August 2020

Background:
Metal oxide nanomaterial such as ZnO shows novel structural, optical, electrical
and antibacterial properties due to its wide bandgap (3.37 eV) and high excitonic binding energy
(60 meV). Probing these inherent properties of nanosized ZnO with different morphologies has
generated new interest among researchers.

Objective:
To investigate the size-dependent functional attributes, ZnO nanorods were prepared by
hydrothermal method and the photocatalytic (PC) efficiency was studied. The photoluminescence
(PL) property of ZnO nanorods was also studied by recording the emission spectrum under photoexcitation.
These nanorods (NRs) were coated on cotton fabric to study the effectiveness of these
NRs in defending and inhibiting the growth of different bacteria.

Methods:
The crystallographic structure and morphology of the ZnO samples were investigated by
X-ray diffraction (XRD) and field emission scanning electron microscopic (FESEM) measurements.
PL measurement at room temperature was undertaken by exciting the sample with light of wavelength
350 nm. The PC property of ZnO NRs was studied in degrading organic dyes like methylene
blue. Bacteria like Staphylococcus aureus, Escherichia coli and Bacillus subtilis were cultured and
the inhibition of growth of these bacteria was studied by the application of ZnO. To enhance the
microbe defence mechanism of fabric, we coated these NRs on fabric test samples and investigated
the bacterial growth on it.

Results:
XRD and FESEM studies reveal the dimension of the synthesized products in the nano
range. These nanorods are of high density and have surface roughness as per the FESEM study. PL
measurement shows the presence of strong UV emission at 382 nm with defect emissions in the bluegreen
region opening up the path for ZnO to be used in the fabrication of optoelectronic devices. PC
study reveals that 89% degradation of methylene blue (MB) dye is achievable in 180 min using these
ZnO catalysts. The anti-bacterial study shows that the minimum inhibitory concentration (MIC) of
ZnO nanorods coated on the fabric against S. aureus is found to be 3.5 mg/ml which is the minimum
as compared to E. coli (7.5 mg/ml) and B. subtilis (5.5 mg/ml). The study further enunciates that
fabric coated with ZnO samples exhibited considerably high inhibition activity towards S. aureus.

Conclusion:
The study shows that ZnO NRs can be effectively used for the fabrication of UVLASER/
LED. The photocatalytic efficiency of ZnO will be useful for the degradation of organic
dyes controlling environmental pollution. It further enunciates that fabric coated with ZnO samples
exhibited considerably high inhibition activity toward S. aureus (skin bacteria) which will be helpful
in defending microbes if used in surgical cotton bandages.
Bedside Cardiac Pocus in Emergency Setting: A Practice Review
Authors: Zanza Christian , Longhitano Yaroslava , Artico Marco , Cammarota Gianmaria , Barbanera Andrea , Racca Fabrizio , Audo Andrea , Ravera Enrico , Migneco Alessio , Piccioni Andrea , Franceschi Francesco 
Published: August 2020

Background:
In the last years, ultrasound technology has entered clinical practice as a
tank and today, it has also allowed no-cardiologists to extend their medical examination without
needing to call the consultant and having a good profile of diagnostic accuracy.

:
The ultrasound bedside does not replace the consultant, but it allows not to perform inappropriate
consultations with more savings for hospitals.

Objective:
The aim was to review the recently published literature to inform the clinician about the
most up to date management of use bedside echography in the emergency setting. In this short review,
we focused on two types of syndromes, no traumatic- hypotension and dyspnea, common to
the three holistic disciplines of medicine, showing the main and basic questions and answers that ultrasound
can give us for rapid identification of the problems.

Methods:
We conducted a systematic review using Pubmed/Medline, Ovid/Willey and Cochrane
Library, combining key terms such as “cardiac ultrasound, “cardiac diseases”, “emergency
medicine”, “pocus”, “dyspnea”, “ hypotension”. We selected the most relevant clinical trials and review
articles (excluding case reports) published in the last 19 years and in our opinion, 59 publications
appeared to be the best choice according to the PRISMA statement. In additional papers identified
from individual article reference lists were also included.

Conclusion:
Recent studies have shown a promise in establishing best practices for evaluation of
heart, lung abdomen and deep vessels At the moment, bedside US is widely used in an integrated
ultrasound vision just like the holistic view have internal medicine, intensive care and emergency
medicine and many medical schools in Europe and the USA are inserting ultrasonography into the
core curriculum, but we still have to find a standard method for the training program for minimum
competence acquisition.
Incorporating K-mers Highly Correlated to Epigenetic Modifications for Bayesian Inference of Gene Interactions
Authors: Salimi Dariush , Moeini Ali 
Published: August 2020

Objective::
A gene interaction network, along with its related biological features, has an
important role in computational biology. Bayesian network, as an efficient model, based on
probabilistic concepts is able to exploit known and novel biological casual relationships between
genes. The success of Bayesian networks in predicting the relationships greatly depends on
selecting priors.

Methods::
K-mers have been applied as the prominent features to uncover the similarity between
genes in a specific pathway, suggesting that this feature can be applied to study genes
dependencies. In this study, we propose k-mers (4,5 and 6-mers) highly correlated with epigenetic
modifications, including 17 modifications, as a new prior for Bayesian inference in the gene
interaction network.

Result::
Employing this model on a network of 23 human genes and on a network based on 27
genes related to yeast resulted in F-measure improvements in different biological networks.

Conclusion::
The improvements in the best case are 12%, 36%, and 10% in the pathway, coexpression,
and physical interaction, respectively.