bluuebunny/crossref_metadata_2025_split huggingface dataset:
Dynamics of Ethylene Glycol-based Graphene and Molybdenum Disulphide Hybrid Nanofluid Over a Stretchable Surface With Velocity and Thermal Slip Conditions
Authors: Hussain Syed M. 
Published: August 2021

Abstract
In this research study, numerical and statistical explorations are accomplished to capture the flow features of the dynamics of ethylene glycol-based hybrid nanofluid flow over an exponentially stretchable sheet with velocity and thermal slip conditions. Physical insight of viscous dissipation, heat absorption and thermal radiation on the flow-field is scrutinized by dissolving the nanoparticles of Molybdenum disulphide (MoS2) and graphene into ethylene glycol. The governing mathematical model is transformed into the system of similarity equations by utilizing the apt similarity variables. The numerical solution of resulting similarity equations with associated conditions are obtained employing three-stages Lobatto-IIIa-bvp4c-solver based on a finite difference scheme in MATLAB. The effects of emerging flow parameters on the flow-field are enumerated through various graphical and tabulated results. Additionally, to comprehend the connection between heat transport rate and emerging flow parameters, a quadratic regression approximation analysis on the numerical entities of local Nusselt numbers and skin friction coefficients is accomplished. The findings disclose that the suction and thermal radiation have an adverse influence on the skin friction coefficients and heat transport rate. Further, a slight augmentation in the thermal slip factor causes a considerable variation in the heat transport rate in comparison to the radiation effect.
Targeting Microenvironment of Melanoma and Head and Neck Cancers
in Photodynamic Therapy
Authors: Ratkaj Ivana , Mušković Martina , Malatesti Nela 
Published: August 2021

Background:
Photodynamic therapy (PDT), in comparison to other skin cancers,
is still far less effective for melanoma, due to the strong absorbance and the role of
melanin in cytoprotection. The tumour microenvironment (TME) has a significant role in
tumour progression, and the hypoxic TME is one of the main reasons for melanoma progression
to metastasis and its resistance to PDT. Hypoxia is also a feature of solid tumours
in the head and neck region that indicates negative prognosis.

Objective:
The aim of this study was to individuate and describe systematically the main
strategies in targeting the TME, especially hypoxia, in PDT against melanoma and head
and neck cancers (HNC), and assess the current success in their application.

Methods:
PubMed was used for searching, in MEDLINE and other databases, for the
most recent publications on PDT against melanoma and HNC in combination with the
TME targeting and hypoxia.

Results:
In PDT for melanoma and HNC, it is very important to control hypoxia levels,
and amongst the different approaches, oxygen self-supply systems are often applied. Vascular
targeting is promising, but to improve it, optimal drug-light interval, and formulation
to increase the accumulation of the photosensitiser in the tumour vasculature, have to
be established. On the other side, the use of angiogenesis inhibitors, such as those interfering
with VEGF signalling, is somewhat less successful than expected and needs to be
further investigated.

Conclusion:
The combination of PDT with immunotherapy by using multifunctional nanoparticles
continues to develop and seems to be the most promising for achieving a
complete and lasting antitumour effect.
Structure-Activity Studies of Novel Di-substituted [1,2,5]oxadiazolo [3,4-b]pyrazine Analogs Targeting the A-loop Regulatory Site of p38
MAP Kinase
Authors: Carrasco Esther , Gomez-Gutierrez Patricia , Campos Pedro M. , Vega Miguel , Messeguer Angel , Perez Juan Jesus 
Published: August 2021

Introduction:
In the quest for novel allosteric inhibitors of the p38 MAP kinase, we recently
described the A-loop regulatory site, identified by means of molecular modeling studies together with
the disclosure of a small molecule hit with a moderate inhibitory profile. Starting from this structure,
we subsequently identified two additional hits with simpler molecular structures from an in silico
screening study, using a substructure search in the SciFinder database. After corroboration of their inhibitory
profile, analysis of their structures permitted to conclude about the suitability of the
[1,2,5]oxadiazolo[3,4-b]pyrazine (furazano[3,4-b]pyrazine) scaffold for the development of potent Aloop
regulatory site p38 MAP kinase inhibitors. Accordingly, we report the synthesis and pharmacological
evaluation of a series of di-substituted analogs with a potent inhibitory profile of p38 MAP kinase,
as shown by in vitro assays of their capability to inhibit IL-1β secretion in human monocyte-derived
macrophages.

Objective:
To find small molecule potent inhibitors of the p38 MAP kinase A-loop regulatory site.

Methods:
Starting from this structure, we subsequently identified two additional hits with simpler molecular
structures from an in silico screening study, using a substructure search in the SciFinder database.
After corroboration of their inhibitory profile, we carried out a hit-to-lead optimization process
guided by molecular modeling using a [1,2,5]oxadiazolo[3,4-b]pyrazine (furazano[3,4-b]pyrazine)
scaffold.

Results:
We report the synthesis and pharmacological evaluation of a series of di-substituted analogs
with a potent inhibitory profile of p38 MAP kinase, as shown by in vitro assays of their capability to
inhibit IL-1β secretion in human monocyte-derived macrophages.

Conclusions:
We describe in the present work a series of [1,2,5]oxadiazolo[3,4-b]pyrazine (furazano[
3,4-b]pyrazine), which are potent inhibitors of IL-1β secretion in human monocyte-derived macrophages
allosteric modulators of the p38 MAP kinase A-loop regulatory site.
Mucoadhesive Nanosystems for Nose-to-Brain Drug Delivery in the
Treatment of Central Nervous System Diseases
Authors: Di Filippo Leonardo Delello , Duarte Jonatas , Fonseca-Santos Bruno , Tavares Júnior Alberto Gomes , Araújo Victor , Roque Borda Cesar Augusto , Vicente Eduardo Festozo , Chorilli Marlus 
Published: August 2021

Abstract:
The diseases affecting the Central Nervous System (CNS) can have varied etiopathology,
but they have in common silent progression, global incidence, and significant
impacts on the quality of life of patients and public health systems. With the advance of
biomedicine and pharmaceutical technology, new and more modern diagnostic methods
and treatments were developed, repurposing the use of drugs currently available for the
treatment of CNS diseases. An attractive approach is the use of alternative drug delivery
platforms, such as nanocarriers, and less invasive administration routes, such as the noseto-
brain, extensively explored for the delivery of drugs into the CNS. Despite many promising
results, the nose-to-brain route has some physiological limitations that make it difficult
to deliver drugs satisfactorily to exert therapeutic activity in the CNS. To overcome
these limitations, nanostructured systems with mucoadhesive properties have stood out
over the last few years in pharmaceutical R&D. In this review; we discuss how the noseto-
brain route limitations can influence the delivery of drugs to the CNS and highlight the
benefits that mucoadhesion can bring to these nanostructured systems. The main findings
in the literature are brought together and discussed critically, focusing on how mucoadhesion
can improve the biopharmaceutical properties of molecules used in the clinic, as well
as their biological performance. Finally, conclusions are drawn about the points of
strength of mucoadhesive nanosystems and the points that still need attention to successfully
use the nose-to-brain route for the treatment of diseases that affect the CNS.
Room-Temperature Ionic Liquids in Glycoscience: Opportunities and Challenges#
Authors: Rajkhowa Sanchayita , Kale Raju R. , Sarma Jyotirmoy , Kumar Abhijeet , Mohapatra Prabhu P. , Tiwari Vinod K. 
Published: August 2021

:
Carbohydrates are fascinating molecular scaffolds known for their diverse applications
in chemistry, biology, medicine, technology, and materials science. In addition, owing
to the notable features of Room-Temperature Ionic Liquids (RTILs) such as high-yield, short
reaction time, simple handling, excellent recyclability, and environmentally benign nature,
they have been extensively utilized as green solvents, catalysts, or both in a wide range of
organic transformation methodologies for easy access of a diverse range of biologically relevant
molecules. This review highlights the importance of RTILs that offer promising solutions
in glycoscience, particularly in relevance to the dissolution, functionalization, glycosylation,
and modification of carbohydrates as well as their challenges, impact, and future perspectives.
Reduction of Oximes and Hydrazones: Asymmetric and Diastereoselective Approaches
Authors: Ribeiro João L. P. , Alves Cláudia , Cardoso Ana L. , Lopes Susana M. M. , Pinho e Melo Teresa M. V. D. 
Published: August 2021

:
The asymmetric reduction of oximes and hydrazones is an attractive and versatile
strategy for the synthesis of chiral amines, which are valuable building blocks in organic synthesis.
This review summarizes the relevant developments made in the last decade on the enantioselective
and diastereoselective reduction of oximes and hydrazones involving metalcatalyzed
hydrogenation/hydrogenolysis reactions, hydride donor reactions, and electrochemical
reactions.
Free Convective Flow of Hamilton-Crosser Model Gold-water Nanofluid
Through a Channel with Permeable Moving Walls
Authors: Bhatti Muhammad Mubashir , Pattnaik Pradyumna Kumar , Abbas Munawwar Ali , Mishra Satyaranjan , Khan Sami Ullah 
Published: August 2021

Background:
The present manuscript analyzes the influence of buoyant forces of a
conducting time-dependent nanofluid flow through porous moving walls. The medium is also filled
with porous materials. In addition to that, uniform heat source and absorption parameters are
considered that affect the nanofluid model.

Introduction:
The model is based on the thermophysical properties of Hamilton-Crosser's
nanofluid model, in which a gold nanoparticle is submerged into the base fluid water. Before
simulation is obtained by a numerical method, suitable transformation is used to convert nonlinear
coupled PDEs to ODEs.

Method:
Runge-Kutta’s fourth-order scheme is applied successfully for the first-order ODEs in
conjunction with the shooting technique.

Result:
Computations for the coefficients of rate constants are presented through graphs, along
with the behavior of several physical parameters augmented by the flow phenomena.

Conclusion:
The present investigation may be compatible with the applications of biotechnology.
It is seen that the inclusion of volume concentration and the fluid velocity enhances near the
middle layer of the channel and retards near the permeable walls. Also, augmented values of the
Reynolds number and both cooling and heating of the wall increase the rate of shear stress.
Evaluation of Antibodies Directed Against Two GPCRs, Anti-AT1R and
Anti-ETAR, on Kidney Transplant Outcome
Authors: El band Jaouad El kaaoui , Llorente Santiago , Martinez-Garcia Pedro , Alfaro Rafael , Jimenez-Coll Victor , Boix Francisco , Galián José A. , Martinez-Banaclocha Helios , Botella Carmen , Moya-Quiles María R. , Minguela Alfredo , Legaz Isa , Muro Manuel 
Published: August 2021

Background:
The role of an alloimmune response against non-self-antigens is established
in organ transplantation. HLA incompatibilities are mainly responsible for this recognition
between donor and recipient, but they may also be involved in the reactivity against other alloantigens
expressed on the allograft resulting from an autoimmune response developed against selfantigens.

Objective:
Our study aimed to determine the presence of non-anti-HLA antibodies (anti-AT1R and
anti-ETAR) in sera from patients with end-stage renal disease, who underwent kidney transplantation
in pre- and post-transplantation samples to study their influence on the development and evolution
of acute humoral rejections and DSAs.

Method:
Antibodies (Abs) against two G protein-coupled receptors (GPCRs), angiotensin II type 1
receptor (AT1R) and endothelin-1 type A receptor (ETAR), have been detected in the sera of transplant
recipients, who experience allograft dysfunction, patients with coronary heart disease, marginal
hypertension and refractory, vascular lesions, myocardial hypertrophy and chronic inflammatory
diseases, such as atherosclerosis or sclerosis.

Results:
Kidney graft recipients were monitored for anti-ETAR, -AT1R, and -HLA Abs in pre-and
post-transplant evolution, and anti-AT1R and/or -ETAR Abs were detected in 24% of recipients
(22.4% with anti-AT1R Abs and 9.8% with anti-ETAR Abs). Due to acute humoral rejection, Graft
loss was detected in 6.4% of patients with anti-GPCRs non-HLA Abs, and 3.2% had DSA anti-HLA
Abs. In this research, we have described how the function of the anti-GPCRs autoAbs and how
these Abs that activate GPCRs could influence graft outcome.

Conclusion:
In conclusion, there is a high association of non-HLA anti-GPCRs Abs levels with
reduced kidney function after transplantation, especially in the presence of DSA anti-HLA Abs.
Although more studies are needed, anti-AT1R and anti-ETAR antibodies may be helpful biomarkers
that allow the risk of graft loss to be assessed.
Adipocyte Fatty Acid Binding Protein (A-FABP) as a Potential New
Therapeutic Target for the Treatment of Obesity - Associated Cancers
Authors: Majchrzak Kinga , Piotrowska Marta , Krajewska Julia , Fichna Jakub 
Published: August 2021

:
Fatty acid binding protein A (A-FABP) is one of FABPs isoforms found mainly in adipose
tissue and macrophages. It works through many integrated pathways, regulating inflammation
and lipid metabolism, promoting glucose production, impairing insulin function, and contributing
to diseases such as atherosclerosis and diabetes. A-FABP is upregulated in the adipose tissue of
obese patients and its increased release into the bloodstream is positively associated with body
mass index. Consequently, A-FABP plays a key role in regulating metabolism in obese people. Recent
studies in mouse models and humans demonstrated the role of A-FABP in increasing the risk
of obesity-related cancers. Here we summarized the state of research on the link between obesity,
cancer and A-FABP as a new potential therapeutic target for the treatment of obesity - associated
cancers.
A Brief Review of the Essential Role of Nanovehicles for Improving the Therapeutic Efficacy of Pharmacological Agents Against Tumours
Authors: Patel Rakesh , Gupta Nitin , Yadav Virendra 
Published: August 2021

Abstract:
Cancer is the leading cause of death globally. There are several differences between cancer
cells and normal cells. Of all the therapies, chemotherapy is the most prominent therapy to treat
cancer. However, the conventional drug delivery system that is used to deliver poorly aqueous soluble
chemotherapeutic agents has several obstacles such as whole-body distribution, rapid excretion,
degradation before reaching the infected site, side effects, etc. Nanoformulation of these insoluble
aqueous agents is the emerging delivery system for targeted and increasing solubility. Among all
the three methods (physical, chemical and biological) chemical and biological methods are mostly
used for the synthesis of Nanovehicles (NVs) of different sizes, shapes and dimensions. The passive
targeting delivery system in which NVs supports the pharmacological agents (drugs/genes) is
a good way for resolving the obstacles with a conventional delivery system. It enhances the therapeutic
efficacy of pharmacological agents (drugs/genes). These NVs have several specific characters
like small size, large surface area to volume ratio, surface functionalization, etc. However, this
delivery is not able to deliver site-specific delivery of drugs. An active targeting delivery system in
which pharmacological agents are loaded on NVs to attack directly on cancer cells and tissues is a
superior way for delivering the pharmacological agents compared to the passive targeting delivery
system. Various targeting ligands have been investigated and applied for targeting the delivery of
drugs such as sugar, vitamin, antibodies, protein and peptides, etc. This targeted ligand’s support to
guide the NVs, accumulated directly on the cancer cells with a higher level of cellular internalization
compared to passive targeting and conventional delivery system.
Curcumin, Resveratrol and Cannabidiol as Natural Key Prototypes in
Drug Design for Neuroprotective Agents
Authors: Viegas Flávia P. Dias , Gontijo Vanessa Silva , de Freitas Silva Matheus , Ortiz Cindy Juliet Cristancho , dos Reis Rosa Franco Graziella , Ernesto Januário Tomás , Damasio Caio Miranda , Silva Isabela Marie Fernandes , Campos Thâmara Gaspar , Viegas Claudio 
Published: August 2021

:
Nowadays, neurodegenerative diseases (NDs), such as Parkinson’s disease (PD), Alz-heimer’s disease (AD), Huntington’s disease (HD), and amyotrophic lateral sclerosis (ALS), repre-sent a great challenge in different scientific fields, such as neuropharmacology, medicinal chemistry, molecular biology and medicine, as all these pathologies remain incurable, with high socio-economic impacts and high costs for governmental health services. Due to their severity and multi-factorial pathophysiological complexity, the available approved drugs for clinic have not yet shown adequate effectiveness and exhibited very restricted options in the therapeutic arsenal; this high-lights the need for continued drug discovery efforts in the academia and industry. In this context, natural products, such as curcumin (1), resveratrol (2) and cannabidiol (CBD, 3) have been recog-nized as important sources, with promising chemical entities, prototype models and starting materi-als for medicinal organic chemistry, as their molecular architecture, multifunctional properties and single chemical diversity could facilitate the discovery, optimization and development of innovative drug candidates with improved pharmacodynamics and pharmacokinetics compared to the known drugs and, perhaps, provide a chance for discovering novel effective drugs to combat NDs. In this review, we report the most recent efforts of medicinal chemists worldwide devoted to the explora-tion of curcumin (1), resveratrol (2) and cannabidiol (CBD, 3) as starting materials or privileged scaffolds in the design of multi-target directed ligands (MTDLs) with potential therapeutic proper-ties against NDs, which have been published in the scientific literature during the last 10 years of research and are available in PubMed, SCOPUS and Web of Science databases.
Morelloflavone as Potential Anticancer Agent Against MCF-7 Breast
Cancer Cell Lines: In vitro and In silico Studies
Authors: Darwati  , Nurlelasari  , Mayanti Tri , Ambardhani Nurul , Kurnia Dikdik 
Published: August 2021

Background:
Breast cancer is most commonly reported to contribute to people's death. Nowadays,
cancer treatment is focused on investigating anticancer drugs from natural compounds. Various
methods, including in vitro, in vivo, and in silico methods, are used to assess the potential of anticancer
compounds. The efficacy of bioactive compounds from medicinal plant origin lies in their affordability
and minimized side effects. The Garcinia genus contains bioactive compounds, such as xanthones, benzophenones,
triterpenes, biflavonoids, and benzoquinones.

Purpose:
The study aimed at investigating an active compound that can inhibit cancer cell growth and
proteins that contribute to cancer cell growth, such as Caspase-9, TNF-α, ER-α, and HER-2.

Methods:
This study is divided into three steps. The first step is the isolation of the active compound from
G. cymosa. The second step is an assessment of cytotoxic activity against MCF-7 cell by using MTT assay,
and the last one is an investigation of the molecular mechanism of an active compound against
Caspase-9, TNF-α, ER-α, and HER-2 by using in silico studies utilizing various programs, such as PyRx
0.8, PYMOL, and Discovery Studio.

Results:
Morelloflavone from G. cymosa stem barks has exhibited anticancer activity (55.84 μg/mL)
eight times lower than doxorubicin (6.99 μg/mL), but it can block the activity of Caspase-9, TNF-α, ER-
α, and HER-2. The binding affinity of morelloflavone is the strongest of all ligands.

Conclusion:
The natural flavonoid, morelloflavone, may be a new lead candidate for anticancer agent
inhibiting action mechanism of Caspase-9, TNF-α, ER-α, and HER-2, respectively.
Use of Peripherally Inserted Central Catheter as a Facilitator in the Juvenile
Cancer Therapeutic Process
Authors: Gascón Thaís Moura , Liubartas Natalia Cristina , Filipini Rosangela , Fonseca Fernando Luiz Affonso 
Published: August 2021

Objective:
The objective of this study is to analyze the characteristics of insertion and
maintenance of 163 peripherally inserted central venous catheters in juvenile patients oncological.

Methods:
This is an observational study of a cross-sectional and longitudinal collection, with quantitative
approach of secondary data from patient’s medical records that underwent the procedure
for a peripheral insertion central catheter implantation, carried out in a non-profit Health Institution
(HI) in Sao Paulo, Brazil, specialized in the treatment of childhood-juvenile cancer, and which attends
children and adolescents from all regions of Brazil.

Results:
The measurement of the external catheter, when greater than 2 centimeters, negatively influences
the period of the segment used (p = 0.007) and is associated with catheter removal for unforeseen
causes (p = 0.013); displacement was the main cause of unexpected removal of peripherally
inserted central venous catheter.

Conclusion:
Peripherally inserted central venous catheter is a safe option when the entire therapeutic
trajectory is reached.
Diabetes Mellitus during the Pandemic Covid-19: Prevalence, Pathophysiology,
Mechanism, and Management: An updated overview
Authors: Ved Akash , Rais Nadeem , Ahmad Rizwan , Parveen Kehkashan , Ishrat Tauheed , Prakash Om , Shadab Mohd , Bari Darakhshan Gazala , Siddiqui Nasir Ali 
Published: August 2021

Background:
Diabetes mellitus (DM) is among the most frequently reported comorbidities
in patients tainted with the pandemic coronavirus disease 2019 (COVID-19) caused by severe
acute respiratory syndrome coronavirus 2 (SARS-CoV-2). With a high pervasiveness of diabetes
mellitus, there is an urgency to understand the special aspects of COVID-19 in hyperglycemic patients.
Diabetic patients are at higher risk than the general population of viral or bacterial infections,
thus require special attention since diabetes is linked with severe, critical, and lethal modes
of COVID-19.

Objective:
The objective of this study was to focus on epidemiology, pathophysiology, mechanism,
and management of DM with COVID-19.

Method:
The search was carried out on databases portals such as Pubmed, EMBASE, Google
Scholar, and CINAHL with the keywords, i.e., COVID-19, coronavirus, SARS-CoV-2, diabetes,
covid-19, etc.

Result:
DM and COVID-19 disease conditions can impact each other in terms of clinical progression
and outcome. Available laboratory/clinical observations suggest that hyperglycemia-induced
immune dysfunction, inflated lactate grades, and cytokines storm may play critical roles in the seriousness
of COVID-19 in patients with diabetes; however, the exact mechanisms linking diabetes
and COVID-19 remain to be further clarified.

Conclusion:
Standards to constrain the disease spread at the individual and community level are
the key to extenuate the speedily rising pandemic, while definitive treatment, like plasma therapy,
chemoprophylaxis, or vaccine for COVID-19, has yet to be discovered.