bluuebunny/crossref_metadata_2025_split huggingface dataset:
One-Pot Synthesis of 1,8-Dioxodecahydroacridines using Ag-TiO2 Nanocomposite as a Mild and Heterogeneous Catalytic System
Authors: Masoudi Ali Akbar , Vahdat Seyed Mohammad , Khaksar Samad 
Published: January 2022

Abstract:Ag-TiO2 nanocomposite is reported to be an efficient, active, and benign recyclable catalyst for highly efficient synthesis of 1,8-dioxodecahydroacridine derivatives from dimedone, aromatic aldehydes, and several anilines or ammonium acetate in ethanol as a solvent at room temperature in a short reaction time and suitable yield. This catalyst is effortlessly recycled by simple filtration and can be reused up to five times with only a negligible loss in its catalytic effectiveness. Low catalyst loading, cost-effectively mild conditions, non-chromatographic purification of target compounds, excellent atom economy, informal procedure, use of a cheaply accessible nanocomposite catalyst, and recyclability of the catalyst are all significant benefits of this method. AFM analysis is performed to confirm the structure, topography, and morphology of Ag-TiO2 nanocomposite. 1,8-dioxodecahydroacridine derivatives having natural significance possess a wide range of pharmacological activities; for instance, antibacterial, antimalarial, anticancer, and mutagenic properties. In terms of the distinctions between aldehydes and anilines, this approach offers a wide range of applications.
L-Proline Nitrate: An Efficient Amino Acid Ionic Liquid Catalyzed
Synthesis of 5-aryl-[1, 2, 4]-triazolidine-3-thiones
Authors: Sonawane Suraj A. , Pore Dattaprasad M. 
Published: January 2022

Abstract:
An environmentally benign, simple, rapid synthesis of 1,2,4-triazolidine-3-thiones at
room temperature is reported using amino acid-derived Brønsted acidic ionic liquid L-proline nitrate
[Pro+NO3
-] from aldehyde and thiosemicarbazide in an aqueous medium. A cost-effective and
energy-efficient catalyst with the reusability of up to five cycles without significant loss in the catalytic
activity makes this protocol superior. A faster reaction and easy work-up with excellent yields
are the added advantages of this protocol.
Revisiting the Synthesis of Betti Bases: Facile, One-pot, and Efficient Synthesis of Betti
Bases Promoted by FeCl3•6H2O
Authors: Zahoor Ameer Fawad , Iftikhar Ramsha , Ahmad Sajjad , Haq Atta ul , Naheed Shazia 
Published: January 2022

Background:
Betti bases are pharmaceutically and synthetically important scaffolds due to their diverse
range of biological activities and applications in key synthetic transformations in organic synthesis.

Objective:
This work has been sought to contribute to the development, design, and implementation of an improved
green methodology with higher atom economy and lower E-factor values for the synthesis of Betti bases.

Method:
To realize our objectives, we screened out different catalysts and reaction conditions using one-pot multicomponent
modified Mannich reaction/Betti reaction by employing 2-naphthol, benzaldehyde and pyrrolidine as
model substrates.

Results:
The developed methodology afforded functionalized Betti bases in 60-100% yields via FeCl3•6H2O catalyzed
one-pot multi-component Betti reaction under neat conditions at 110 °C (5-15 min) using several aromatic aldehydes
and secondary amines.

Conclusion:
A facile synthetic methodology with higher atom economy and lower E-factor values to synthesize Betti
bases via FeCl3•6H2O catalyzed one-pot multicomponent Betti reaction of 2-naphthol, aromatic aldehydes, and secondary
amines under neat conditions at 110 °C has been reported. The developed methodology offers various advantages,
such as excellent yields (60-100%), short reaction time (5-15 min), wide substrate scope (12 examples),
green reaction conditions, use of readily available catalyst, and easy purification (without column chromatography).
Obtaining Hexoses from Chitosan through Depolymerization with Nitrous
Acid
Authors: de Souza Éber Eurípedes , Ascêncio Sérgio Donizeti , Montel Adão Lincon Bezerra , Barbosa Robson dos Santos , Soares Ilsamar Mendes , Noseda Miguel Daniel , Souza Aguiar Raimundo Wagner de , Alvim Tarso da Costa 
Published: January 2022

Background and objective:
Residues from shrimp farming have a great potential for sugar production and the production of derivatives for the low-carbon chemical industry. Obtain-ment of bioactives from chitosan has been extensively investigated using different methodologies. The purpose of this work was to study the chitosan depolymerization reaction aiming at the produc-tion of monomers without the use of additional enzymes or mineral acids.

Materials and Methods:
In this work, we systematically study the effect of sodium nitrite concen-tration and reaction conditions (pH and temperature ranges) with acetic acid as the solvent on the chitosan depolymerization reaction aiming at the production of monomers, specifically 2,5-anhydromannose, without the use of additional enzymes or mineral acids.

Results:
The results indicate that only a small range of reaction conditions and nitrite concentrations allow for obtaining the monomer, while in most combinations of these parameters, oligomers are obtained. We found that the temperature decisively affects the reaction yield, with the attainment of 2,5-anhydromannose favored at lower temperatures.

Conclusion:
The method proved to be simple and easy to perform allowing to obtain 2,5-anhydromannose with the use of low-cost reagents. This monomer can be converted into several derivatives for industrial application (5-Hydroxymethylfurfural, ethanol, etc.)
Thiamine: A Natural Peroxisome Proliferator-Activated Receptor Gamma
(PPAR-γ) Activator
Authors: Subramani Parasuraman Aiya , Shaik Firdose Begum , Michael R. Dinakaran , Panati Kalpana , Narala Venkata Ramireddy 
Published: January 2022

Background:
There has been increasing evidence of the correlation between thiamine deficiency
and type 2 diabetes (T2D). T2D is a condition in which an individual’s insulin sensitivity is highly
compromised. Peroxisome proliferator-activated receptor gamma (PPAR-γ) is a ligand-activated transcription
factor etiologically relevant to T2D. We hypothesized that thiamine could be a PPAR-γ ligand
and thus activate PPAR-γ and ameliorate T2D.

Objective:
This study aims to establish thiamine as a PPAR-γ ligand via molecular docking and dynamics
simulations (MDS) and thiamine’s ability to induce adipogenesis while upregulating PPAR-γ and AP-2
genes using in vitro assays.

Methods:
Thiamine/PPAR-γ binding was studied using Schrödinger’s Glide. The bound complex was
simulated in the OPLS 2005 force field using Desmond. 3T3-L1 preadipocyte cells were differentiated in
the presence of thiamine and rosiglitazone and stained with Oil Red O. Nuclear protein from the differentiated
cells was used to study the binding of the PPAR-γ response element (PPRE) using an ELISA-based
assay. mRNA from differentiated cells was used to study the expression of genes using quantitative RTPCR.

Results:
In silico docking shows that thiamine binds with PPAR-γ. MDS indicate that the interactions
between thiamine and PPAR-γ are stable over a significant period. Thiamine induces the differentiation of
3T3-L1 preadipocytes in a dose-dependent manner and enhances the PPRE-binding activity of PPAR-γ.
Thiamine treatment significantly increases the mRNA levels of PPAR-γ and AP-2 genes.

Conclusion:
Our results show that thiamine is a PPAR-γ ligand. Animal studies and clinical trials are
required to corroborate the results obtained.
Simultaneous Bilateral Secondary Pneumothorax Complicating Osteosarcoma:
A Case Report
Authors: Aini Faradila Nur , Marhana Isnin Anang 
Published: January 2022

Background:
The incidence of Simultaneous Bilateral Secondary Pneumothorax (SBSP)
occurring as a complication of neoplasm is rare, only <1%. The lungs can be the site for the
spread of metastatic osteosarcoma.

Methods:
We investigated a 16-year-old female who was diagnosed with right distal femur osteosarcoma,
pulmonary metastasis, and a rare SBSP complication. Pneumothorax was observed in
both sites of pulmonary metastases and bronchopleural fistula on contrasting chest computed tomography.

Results:
This pneumothorax is the second one; the previous one was only on one side
before chemotherapy. The patient died 12 months after osteosarcoma was diagnosed and four
months after SBSP occurred. The progression of osteosarcoma lesions was the cause for the death
of the patient. SBSP is the leading cause of severe complications in osteosarcoma.

Conclusion:
The clinician must perform diagnostic strategies for early detection of osteosarcoma
and its proper management, which can reduce a patient’s suffering and impairment of the patient’s
quality of life, thus decreasing morbidity and the risk of mortality.
Sources, Properties, and Pharmacological Effects of Quercetin
Authors: Malviya Rishabha , Ankit  , Sharma Akanksha 
Published: January 2022

Abstract:
The present review aims to describe an overview of quercetin with its various pharmacological
effects. Quercetin is used as an antioxidant, anticancer, antibacterial and antimicrobial,
anti-inflammatory, antidiabetic, antihypertensive, antifungal, anti-allergic, and antiproliferative
agent, as described in the manuscript. It is mainly obtained from plant resources, which is
also described in the manuscript. The manuscript also describes different studies related to quercetin,
which shows various pharmacological activities. It is concluded from the study that quercetin
has an efficacious effect on various diseases.
Analysis of the Genotoxic Impurity S-(+)-Epichlorohydrin Contained in
(S)-Oxiracetam using Gas Chromatography
Authors: Li Jinbiao , Li Dandan , Lu Wenjing , Wu Jinhui , Dong Hong 
Published: January 2022

Background:
(S)-oxiracetam has shown better efficacy than racemic oxiracetam in the
trial. However, there is no report on the method used to detect the genotoxic impurity of S-(+)-
epichlorohydrin(S-(+)-ECH) that may be contained in (S)-oxiracetam.

Objective:
Here, we have proposed and verified a detailed analysis method for the (S-(+)-ECH)
impurity in (S)-oxiracetam using a gas chromatography(GC) system.

Method:
The chromatography system includes a Supelco DB-624 capillary column. The initial
column temperature was 50°C, kept for 4 minutes, and then increased to 220°C at a rate of
10°C/min for 4 minutes. Nitrogen was used as the carrier gas. The constant flow rate was 3.8
mL/min, the split ratio was 10:1, the injection port temperature was maintained at 200°C, and a
hydrogen flame ionization detector was used. S-(+)-ECH was analyzed in detail by this analysis
method, and three different batches of samples were measured. The GC system was used for verification.

Results:
The method verification results included the system suitability, specificity, sensitivity,
accuracy, precision, and the good correlation coefficient between peak responses and concentrations
were over 0.990.

Conclusion:
The method proposed in this study is the most detailed GC method currently used
for the analysis of S-(+)-ECH impurities in (S)-oxiracetam. The proposed method has the advantages
of fast, convenience, low cost, etc. It provides a reference method for quality control of
genotoxic impurity of (S)-oxiracetam.
Drug Deliery for Micro-/Nanorobots: Progress and Challenges
Authors: Xu Ke , Zhou Jindun 
Published: January 2022

Abstract:
Due to micro-/nanorobots having several propulsion mechanisms, drug delivery through
micro/nanorobots is moving to the forefront of nanomedical research. However, low biocompatibility
and low imaging efficiency have become major obstacles in the further development of micro-
/nanorobots. This article firstly introduces the application of micro-/nanorobots in the field of nanomedicine
in recent years, expresses the importance of micro-/nanorobots in terms of nanomedicine,
and then summarizes and compares several propulsion mechanisms. The improvement and optimization
of the preparation methodologies and structures in terms of micro-/nanorobots are also reviewed.
The imaging effect and biocompatibility of micro-/nanorobots have been improved to the extent that
it is suitable for clinical medicine while ensuring the efficiency of drug delivery. Then, the advantages
of different propulsion mechanisms, imaging effects, and biocompatibility are compared.
The aim of the review is to enable people of various knowledge backgrounds to learn directly and
choose suitable modified methods based on realistic situations. Finally, future development trends
and further prospects of micro-/nanorobots are discussed.
Periodontal Ligament Stem Cell Isolation Protocol: A Systematic Review
Authors: Rad Maryam Rezai , Atarbashi-Moghadam Fazele , Khodayari Pouya , Sijanivandi Soran 
Published: January 2022

Abstract:
Despite the plethora of literature regarding isolation and characterization of periodontal ligament
stem cells (PDLSCs), due to the existence of controversies in the results, in this comprehensive
review, we aimed to summarize and compare the effect of isolation methods on PDLSC properties, including
clonogenicity, viability/proliferation, markers expression, cell morphology, differentiation, and
regeneration. Moreover, the outcomes of included studies, considering various parameters, such as teeth
developmental stages, donor age, periodontal ligament health status, and part of the teeth root from which
PDLSCs were derived, have been systematically discussed. It has been shown that from included studies,
PDLSCs can be isolated from teeth at any developmental stages, health status condition, and donor age.
Furthermore, a non-enzymatic digestion method, named as an explant or outgrowth technique, is a suitable
protocol for PDLSCs isolation.
Immunological and Metabolic Alterations in Esophageal Cancer
Authors: Mikhael Mary , Pasha Bilal , Chela Harleen , Tahan Veysel , Daglilar Ebubekir 
Published: January 2022

Abstract:
Esophageal cancer is one of the most common types of gastrointestinal malignancies that is encountered. It has a global distribution and affects males and females, and is linked to significant morbidity and mortality. The mechanisms underlying pathophysiology are multifac-torial and involve the interaction of genetic and environmental factors. This review article de-scribes the immunological and metabolic changes that occur in malignancy of the esophagus.
Cryptotanshinone Induces Necroptosis Through Ca2+ Release and ROS
Production in vitro and in vivo
Authors: Gao Hongwei , Zhao Wentong , Song Yuanbo , Wang Qin-Qin , Han Shan , Li Xin-Xing , Cui Yushun , Yuan Renyikun , Yang Shilin 
Published: January 2022

Background:
Necroptosis is a type of programmed necrosis mediated by receptor-interacting
protein kinases 1 and 3 (RIP1 and RIP3), which is morphologically characterized by enlarged
organelles, ruptured plasma membrane, and subsequent loss of intracellular contents. Cryptotanshinone
(CPT), a diterpene quinone compound extracted from the root of Salvia miltiorrhiza
Bunge, has been reported to have significant anticancer activities. However, the detailed mechanism
of CPT has not been clearly illustrated.

Objective:
The present study aimed to explore the cell death type and mechanisms of CPT-induced
in non-small cell lung cancer (NSCLC) cells.

Methods:
The cytotoxicity of CPT on A549 cells was assessed by MTS assay. Ca2+ release and reactive
oxygen species (ROS) generation were detected by flow cytometry. The changes in mitochondrial
membrane potential (MMP) were observed through JC-1 staining. The expressions of p-
RIP1, p-RIP3, p-MLKL, and MAPKs pathway proteins were analyzed by western blotting analysis.
The efficacy of CPT in vivo was evaluated by the Lewis lung carcinoma (LLC) xenograft mice
model. Blood samples were collected for hematology analysis. ELISA investigated the effects of
CPT on tumor necrosis factor α (TNF-α). Hematoxylin and eosin staining (HE) determined the tumor
tissues. Proteins' expression of tumor tissues was quantified by western blotting.

Results:
CPT inhibited the cell viability of A549 cells in a time- and concentration-dependent manner,
which was reversed by Necrostatin-1 (Nec-1). In addition, CPT treatment increased the expression
of p-RIP1, p-RIP3, p-MLKL, the release of Ca2+, ROS generation, and the MAPKs pathway
activated in A549 cells. Moreover, animal experiment results showed that intraperitoneal injection
of CPT (15 mg/kg and 30 mg/kg) significantly inhibited tumor growth in C57BL/6 mice without affecting
the bodyweight and injuring the organs.

Conclusion:
Our findings suggested that CPT-induced necroptosis via RIP1/RIP3/MLKL signaling
pathway both in vitro and in vivo, indicating that CPT may be a promising agent in the treatment
of NSCLC.
Moving Towards Dawn: KRas Signaling and Treatment in Pancreatic
Ductal Adenocarcinoma
Authors: Bhattacharya Sankha , Rajpurohit Tarun 
Published: January 2022

Abstract:
“Pancreatic ductal adenocarcinoma (PDAC)” is robust, nearly clueless, and all-around deadly among all tumors. Below 10 %, the general 5-year endurance period has remained adamantly unaltered in the last 30 years, regardless of enormous clinical and therapeutic endeavors. The yearly number of deaths is more than the number of recently analyzed cases. Not a classic one, but “Carbohydrate Antigen CA19-9” remains the prevailing tool for diagnosis. MicroRNAs and non-invasive techniques are now incorpo-rated for the effective prognosis of PDAC than just CA19-9. Mutated “Rat sarcoma virus Ras” confor-mation “V-Ki-ras2 Kirsten rat sarcoma viral oncogene homolog KRas” is 95 % accountable for PDAC, and its active (GTP-bound) formation activates signaling cascade comprising “Rapidly accelerated fibro-sarcoma Raf”/“Mitogen-activated protein kinase MEK”/ “Extracellular signal-regulated kinase ERK” with “Phosphoinositide 3-kinase PI3K”/ “protein kinase B Akt”/ “mammalian target of rapamycin mTOR” pathways. KRas has acquired the label of ‘undruggable’ since the crosstalk in the nexus of path-ways compensates for Raf and PI3K signaling cascade blocking. It is arduous to totally regulate KRas-coordinated PDAC with traditional medicaments like “gemcitabine GEM” plus nab-paclitaxel/FOLFIRINOX. For long-haul accomplishments aiming at KRas, future endeavors should be directed to combinatorial methodologies to adequately block KRas pathways at different standpoints. Currently they are contributing to healing PDAC. In this review article, we outline the function of KRas in carcinogenesis in PDAC, its signaling cascade, former techniques utilized in hindering Kras, current and future possibilities for targeting Kras.
A Survey on Architecture, Applications, and Challenges in Vehicular Fog
Computing
Authors: Binwal Deep Chandra , Kapoor Monit 
Published: January 2022

Abstract:
Connected vehicles are making intelligent transportation system (ITS) a reality, and because
of the increase in the onboard computing capability of vehicles, demand for new applications is
growing. Vehicular fog computing (VFC) represents a collaborative multitude of onboard vehicular
resources to augment the capacity of fog computing. It is an important concept to address numerous
issues related to fog computing like, high installation cost, sub-optimal utilization of resources, and
developing many novel applications, etc. Vehicular fog computing research has witnessed different
architectural, applications, and implementation challenges, studied by various authors. In this paper,
we study the architecture of vehicular fog computing and present various unique characteristics of vehicular
fog computing along with providing a detailed comparison with conventional fog computing.
We analyze VFC implications in ITS with respect to architecture, applications, and challenges. We
discuss and analyze the existing applications and research challenges in them. We also explain a novel
application use-case of vehicular fog computing, bridging cellular network coverage holes using vehicular
fog computing. Finally, we present new and promising applications and open research challenges
therein.
Identification of Novel Inhibitors of SARS-CoV-2 Mpro from NCI
Database by a Drug Repurposing Approach
Authors: Hussain Afzal , hussain Ashfaq 
Published: January 2022

Background:
The global spread of SARS-CoV-2 and the mortality it has caused have
prompted research organizations to develop novel medications to fight against COVID-19. The main
protease (Mpro) of SARS-CoV-2 is crucial to the virus’s replication and propagation in host cells.
Therefore, it is a promising therapeutic target.

Objectives:
There are officially no certified specific drugs or available interventions for COVID-19
infection. Repurposing standard pharmaceutical drugs for COVID-19 is a promising strategy to
identify potent therapeutic candidates quickly.

Methods:
The NCI (National Cancer Institute) database compounds, COVID-19 Mpro, and the
reference ligand were prepared, and the docking, ADMET, and MMGBSA analyses were carried out
using Maestro (Schrödinger Suite).

Results:
The study shows the results after screening NCI molecules (265,242) against COVID-19
Mpro. Compounds NCI19775, NCI226834, NCI115535, NCI270893, NCI89644, NCI332542,
NCI617217, NCI43927, NCI67474, NCI250293, and NCI59266 fit in the active site of the COVID-
19 Mpro, showing a tighter interaction than the reference ligand X77. The docking score of these NCI
compounds is also higher than X77. As a result, these compounds could be promising anti-COVID
Mpro agents. NCI19775 (6,6-bis (benzylthio) hexane-1,2,3,4,5-pentaol)was shown to be a more
potent inhibitor of COVID-19 main protease, and the outcomes also exhibit the potential for NCI
compounds to interact with COVID Mpro.

Conclusions:
Our computational strategy identified promising and efficacious SARS-CoV-2
inhibitors that could be investigated further in clinical trials.
Metal-Organic Frameworks (MOFs): A Promising Photocatalytic Material
Authors: Liu Jianqiang , Kumar Abhinav 
Published: January 2022

Background and Methods:
Metal-organic frameworks (MOFs) regarded as threedimensional
analogues of coordination polymers (CPs) find utility in varied applications viz.
sensing of ions and molecules, gas/small molecule absorption/separation, catalysis, gas storage,
membranes and drug delivery system. In recent years, their applications as photocatalyst for the
photodegradation of aromatic dyes have been explored. In addition, computational studies have
been employed to complement the experiments, which provided new insight on MOFs/CPs to
understand mechanistic pathways of photocatalysis.

Results and Discussion:
This perspective presents the designing strategies and structures of
photoactive MOFs and plausible mechanistic pathways using photocatalysed degradation of
organic dyes, a lethal component present in wastewater discharge from industries.

Conclusion:
The presentation study suggested that using appropriate rigid, semi-rigid and flexible
organic ligands with appropriate antennae and suitable co-ligand on coordination to the main
group, transition and inner transition metal centers could engender targeted MOFs that can display
superior photocatalytic properties.