bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis and characterization of heavy metal-based hydroxyapatite for batch adsorption of turquoise blue dye: equilibrium, kinetic, and thermodynamic studies
Authors: Shafqaat Ujala , Munir Ruba , Albasher Gadah , Sayed Murtaza , Jahan Nazish , Muneer Amna , Zahid Muhammad , Yaseen Muhammad , Younas Fazila , Noreen Saima 
Published: January 2024

Abstract

In this study, different metal hydroxyapatite (HAP) nanoparticles were synthesized at a laboratory scale. All the methods used were very economical because all reagents used in this work were cheap and easily available in laboratories. The synthesized products were characterized by X-ray diffractometer (XRD), Brunauer–Emmett–Teller and Barrett–Joyner–Halenda, scanning electron microscopy, and Fourier transform infrared spectroscopy analysis to confirm the synthesis of respective products by ensuring the presence of phosphate and hydroxyl functional groups. These metal HAP nanoparticles were applied in water treatment applications as adsorbents for the elimination of turquoise blue dye from the aqueous solution. Batch experiments were performed, and all effective parameters were optimized. Their optimized values were as follows: pH = 8, dosage of adsorbent = 0.05 g, contact time = 75 min, temperature = 30 °C, and dye concentration = 75 ppm. The order of adsorption capacity of four different metal HAP products was determined as calcium-HAP (Ca-HAP) &gt; lead-HAP (Pb-HAP) &gt; strontium-HAP (Sr-HAP) &gt; barium-HAP (Ba-HAP). Ca-HAP, Ba-HAP, Sr-HAP, and Pb-HAP have the highest concentration of 0.5 N, giving 54–69.29% desorption. Moreover, the effect of surfactants and electrolytes was also studied. Langmuir isotherm and pseudo-second-order kinetic model were best fitted for turquoise blue dye adsorption. The reaction was exothermic and spontaneous in nature.
A Review on Chemical Structures and Biological Activities of Dopamine
Derivatives from Medicinal Insects
Authors: Wei Wen-Jun , Wang Dong-Ge , Ji Meng-Shan , Guo Tao 
Published: January 2024

Abstract:
Medicinal insects play an important role in the treatment of refractory diseases due to
their unique and rich pharmacological activities. However, compared to plants, microorganisms, and
marine organisms, medicinal insects have been largely ignored. Some small molecules isolated from
insects are known to have defensive effects, but their majority roles remain unknown. In-depth research
on the small molecules of medicinal insects has been conducted in recent years. Then alkaloids,
dopamine derivatives, nucleoside derivatives, and other components are obtained. Among
them, dopamine derivatives are a unique class of components from medicinal insects. Thus, we present
a comprehensive overview of chemical structures and biological activities of dopamine derivatives
from some medicinal insects, which will bring more attention to other researchers for further
chemical and biological investigations on the unique dopamine derivatives as well as medicinal insects.
A Comprehensive Review of the Benzimidazole Scaffold as a Potential
Nucleus for Anti-Ulcer Activity
Authors: Singh Kuldeep , Bhushan Bharat , Varma Ajit Kumar , Shekhar Ravi , Sharma Rajeev Kumar , Ghosh Niladry Sekhar , Pandey Ekta , Saha Sunam , Kumar Shivendra , Mishra Avinash Kumar , Agrawal Mohit 
Published: January 2024

Abstract:
The benzimidazole scaffold is a promising nucleus for developing novel therapeutic agents
for ulcer treatment. Its unique chemical structure provides desirable pharmacological properties, such
as excellent bioavailability, metabolic stability, and low toxicity, making it an attractive candidate for
ulcer treatment. Several benzimidazole derivatives have shown significant anti-ulcer activity in preclinical
and clinical studies, acting through multiple pathways, including inhibition of gastric acid secretion,
suppression of gastric inflammation, and promotion of mucosal protection. Some benzimidazole
derivatives have also demonstrated anti-Helicobacter pylori activity, suggesting their potential
for eradicating bacteria associated with ulcer formation. However, challenges such as poor solubility
and limited selectivity remain. Various approaches, such as prodrug design and formulation optimization,
have been explored to overcome these issues and improve the therapeutic profile of benzimidazole
derivatives. Overall, the benzimidazole scaffold holds great promise as a nucleus for developing
novel anti-ulcer agents. Further research and optimization efforts are needed to harness its full
potential and translate it into effective treatments for ulcers. With continued advancements in medicinal
chemistry and drug design, benzimidazole-based compounds may offer new therapeutic options for patients
suffering from ulcers and related gastrointestinal disorders. Hence, this review highlights the
knowledge about benzimidazole scaffold, the mechanism of ulcer formation, and various benzimidazole
derivatives with anti-ulcer activity, which can be further studied in pre-clinical and clinical trials.
A New Bioactive Thiazolidinone-based Azo Dye for Naked-eye
Colorimetric Detection of Cyanide Ions
Authors: Zamiraei Zahra , Rad-Moghadam Kurosh 
Published: January 2024

Abstract:
A new bioactive azo dye embedding a thiazolidinone heterocyclic core was designed and
synthesized for antibacterial application and colorimetric sensing of cyanide ion (CNˉ) in organic solutions.
The structure of the prepared dye was elucidated from its 1H NMR, FT-IR and UV-Vis spectral
data. It proved to be a fast and sensitive colorogenic sensor for detection of CNˉ. Spectroscopic
studies were carried out to investigate the effect of different CNˉ concentrations on the detection efficiency.
Moreover, the studies revealed no significant competition or influence of other anions on the
sensitivity of CNˉ detection by the synthesized dye. A Job's plot indicated a 1:1 stoichiometry of the
dye and CNˉ in their colorful complex. Further development of the method for naked-eye detection of
CNˉ in low-concentration aqueous solutions was achieved by using the cellulose papers painted with
the dye. The as-prepared testing paper allowed CNˉ sensing in concentrations as low as 2 μM. Evaluation
of the dye for antibacterial activities using the well diffusion technique displayed that its inhibitory
activity is at least as good as and in some cases superior to ampicillin against the bacterial strains
employed in the zone assay. In response to CN¯, the dye changes color from yellow to reddish brown
which accounts for its significant interactions with CNˉ and affords a naked-eye sensing method
without resorting to any spectroscopic instrumentation.
A Mild and Eco-friendly, One-pot Synthesis of 2-hydroxy-Narylacetamides
from 2-chloro-N-arylacetamides
Authors: Radhakrishna Vamshikrishna Y. , Khatik Gopal L. , Vijaya Bhuvaneshwari S. , Nair Vipin A. 
Published: January 2024

Abstract:
A mild and eco-friendly one-pot, two-step procedure has been developed for the synthesis
of 2-hydroxy-N-arylacetamides from 2-chloro-N-arylacetamides. The procedure overcomes the
cleavage of the amide linkage in 2-chloroacetamides, which is usually observed under reflux conditions
with the hydroxide when the nucleophilic substitution of the halide is attempted. The reactions
were performed by refluxing 2-chloro-N-arylacetamides with Cu(OAc)2 and DIPEA in the ethanol
medium to facilitate an acetate exchange with the halogen. Subsequently, by the addition of ethanolic
KOH solution to the same reaction flask, the ester linkage was selectively cleaved in the presence of
the amide, taking advantage of the difference in electrophilicity. The procedure afforded good yields
of the desired products, which are valuable intermediates for several biologically active molecules, in
a short reaction time with ease of isolation. The experimental conditions employed are simple and offer
the possibility of scaling up to higher quantities.
In silico Exploration of the Therapeutic Potential of Alkaloids as Anti-infective Agents
Authors: Rani Nidhi , Kumar Praveen , Walia Aditya , Singh Randhir 
Published: January 2024

Background:
Alkaloids are important phytoconstituents obtained from various plant
sources.

Methods:
The main objective of the study was to evaluate the anti-infective potential of alkaloids
against 14α-demethylase, transpeptidase, and omicron spike protein using molecular docking studies.
The potential constituents were identified and an ADMET study was performed.

Results:
The study concluded that reserpine and tubocurarine exhibited potential activity against the
three tested enzymes with good ADMET profile.

Conclusion:
Reserpine and tubocurarine can further be explored to attain new candidates as antiinfective
agents.
The Frequency of Intraventricular Hemorrhage and its Risk Factors
Authors: Haghshenas-Mojaveri Mohsen , Omran Forough Alikabranya , Khafri Soraya , Mehraein Raheleh , Hejazian Ebrahim , Akbarian-Rad Zahra 
Published: January 2024

Background::
Intraventricular hemorrhage (IVH) (is the most prevalent type of cerebrovascular
accident in premature infants, which can result in lasting neurological complications. The
aim of this study was to ascertain the frequency of IVH and its associated risk factors within our
particular context.

Materials and Methods::
This cross-sectional study was carried out in a tertiary neonatal intensive
care unit of a maternal and neonatal hospital from September 2018 to August 2019. Premature infants
under 34 weeks of age and with birth weight < 1500 grams who did not have significant congenital
anomalies participated in the study. A brain ultrasound was performed by a sonologist during
the first week. The infants were subsequently categorized into two groups: those with and without
IVH. A comparative analysis was conducted using the chi-square test and logistic regression.
A significance level of p<0.05 was considered statistically significant.

Results::
Of the 205 premature infants who completed the study, IVH was reported in 107 cases
(52.1%), of which 97.3% of ventricular hemorrhages were grade I and II and 2.7% accounted for
severe bleeding (grade III and IV). Gestational age less than 28 weeks, weight less than 1000 g,
vaginal delivery, asphyxia and resuscitation, history of intubation and mechanical ventilation,
cord blood acidity, dopamine infusion, and history of fever and chorioamnionitis in the mother
have been found to be significantly associated with increased risk of IVH (p<0.001). Antenatal
corticosteroids decreased the risk (OR=10.63).

Conclusion::
In this study, IVH has been found to be common in infants under 1500 g of weight,
but the severe form was low in frequency and was observed significantly in high-risk pregnancies.
Cost and Time Reduction of Industrial Mold Design and Manufacturing
by Implementing Additive Manufacturing for Premature Neonatal Prong
Authors: Mirnia Kayvan , Kialashaki Atousa , Heidarzadeh Mohammad , Maghsoudi Amid , Pourashouri Zahra , Abaei Kashan Abbas 
Published: January 2024

Introduction::
For a long time, molding was one of the most important methods of producing
metal, ceramic, and polymer materials. The two essential factors in this method were always
cost and time. Technology advancements have made it possible to design in 3D using a computer
and additive manufacturing. This article covers methods for using 3D printers to save time
and money in the process of creating the final product. The “Prong” molds for premature neonatal
respiratory aid were designed and produced based on neonatologists' considerations.

Methods::
The study was conducted on fifteen very low birth neonates at Alzahra Hospital in
Tabriz University from September 2017 to September 2019. In the first section, we described dental
plaster material for molding. When using this material, the printing material must be selected
and the parameters, like melting temperature and printer speed, must be controlled to achieve acceptable
quality for the final sample. CAD software can be used to print various objects if the final
3D design is appropriate.

Results::
We used additive manufacturing technology to create a new design and successfully resolved
bubble issues at a low cost through a combination of creativity and experimentation. The
new mold has cavities that allow the silicon to occupy the entire space and escape any bubbles.

Conclusion::
The use of 3D printers allows us to achieve the best design for the prong mold while
reducing both production costs and time. The ultimate mold made of aluminum was finally produced
by the CNC machine. The final product was tested at Al-Zahra Hospital in Tabriz, Iran, and
the results were satisfactory, with no reports of necrosis on the babies' noses.
Influence of Anaerobic Exercise in Type 1 Diabetes Mellitus Biomarkers: A
Systematic Review
Authors: de Assis Renata Carmo , Celedonio Roberta Freitas , Valentim Ashley Brito , Monteiro Gabrielly Rossi , da Silva Antonia Mariza Herculino , Dantas Ana Cecília Pereira , Maia Carla Soraya Costa 
Published: January 2024

Aim:
Physical exercise is part of the type 1 diabetes mellitus (T1DM) treatment. However,
this practice is still neglected due to the wide variety of glycemic responses under the influence
of anaerobic exercise. Therefore, this study aimed to investigate the influence of anaerobic
exercise on biomarkers of T1DM.

Methods:
The systematic review was conducted on PubMed, Lilacs, and Embase, according to
PRISMA. For this purpose, three groups of descriptors were used: adults with T1DM, anaerobic
physical exercise, and glycemic control. The search filter was set to human beings older than 18
years of age, longitudinal and cross-sectional studies, with studies published from 2000 to 2023 in
English, Spanish, or Portuguese. Titles and abstracts were read independently by two reviewers,
and then the articles were selected for this review. The Kappa coefficient was measured to evaluate
the selection.

Results:
A total of 738 articles were identified, and five were selected to be part of the review after
applying the steps of the procedure. Some benefits were observed in fatigue reduction, absence of
diabetic ketoacidosis requiring hospitalization, and enhancement of glucose monitoring during exercise.
In the anaerobic workouts of the groups with T1DM, glycemic mean values ranged from
124.5-185.0 mg/dl, and glycated hemoglobin records ranged from 6.7-8.1%.

Conclusion:
Anaerobic exercise improved the biomarkers of T1DM, especially glycemic control,
and the reduction of symptomatic hypoglycemic episodes. Anaerobic exercise can be performed
by individuals with T1DM, suggesting an individualized training prescription and encouraging its
practice associated with aerobic exercise.
Production of Probiotic Yogurt Enriched with Laden (Cistus incanus)
Authors: Bolek Sibel , Kamcı Sevtap 
Published: January 2024

Background:
Thanks to its rich polyphenols and antioxidant content, Cistus incanus
is a natural healthy ingredient.

Objective:
This study aimed to evaluate the effect of 0-7.5 (v/v) C. incanus extract supplementation
on probiotic yogurt's physicochemical, sensory, and microbiological characteristics.

Methods:
Color, pH, texture profile analysis, total phenolic content, antioxidant activity,
fat, protein, syneresis, water holding capacity, and scanning electron microscopy analyses
were performed, as well as rheological, microbiological, and sensory analyses.

Results:
As the amount of extract increased, dry matter, protein, fat, water holding capacity,
phenolic content, antioxidant activity, pH, ash, a*, b*, and firmness values increased,
whereas titrable acidity and syneresis values of yogurts significantly decreased (p<0.05).
The probiotic bacteria count of the yogurts enriched with C. incanus was <7 log CFU/mL.
The samples containing 5 % extract received the highest scores from the panelists.

Conclusion:
It is possible to produce probiotic yogurt with functional properties using C. incanus
extract, which is a rich source of antioxidant compounds.
A Review on the Development of Novel Heterocycles as α-Glucosidase
Inhibitors for the Treatment of Type-2 Diabetes Mellitus
Authors: Patel Prexa , Shah Drashti , Bambharoliya Tushar , Patel Vidhi , Patel Mehul , Patel Dharti , Bhavsar Vashisth , Padhiyar Shantilal , Patel Bhavesh , Mahavar Anjali , Patel Riddhisiddhi , Patel Ashish 
Published: January 2024

Abstract:
One of the most effective therapeutic decencies in the treatment of Type 2 Diabetes
Mellitus is the inhibition of α-glucosidase enzyme, which is present at the brush border of the intestine
and plays an important role in carbohydrate digestion to form mono-, di-, and polysaccharides.
Acarbose, Voglibose, Miglitol, and Erniglitate have been well-known α-glucosidase inhibitors in
science since 1990. However, the long synthetic route and side effects of these inhibitors forced the
researchers to move their focus to innovate simple and small heterocyclic scaffolds that work as
excellent α-glucosidase inhibitors. Moreover, they are also effective against the postprandial hyperglycemic
condition in Type 2 Diabetes Mellitus. In this aspect, this review summarizes recent progress
in the discovery and development of heterocyclic molecules that have been appraised to show
outstanding inhibition of α-glucosidase to yield positive effects against diabetes.
A Severe Case of Isotretinoin Induced Eosinophilic Pneumonia and Pericardial Effusion, a Case Report
Authors: Kampman Anne , Keulers Laurien , der Maten Jan van , der Meij Jacqueline van , Bethlehem Carina 
Published: January 2024

Background:
We report a case of a 25-year-old female who presented with fever, rash
and general malaise.

Case Presentation:
She was initially diagnosed and treated for peri-/myocarditis, but she deteriorated
quickly with the development of extensive bilateral consolidations for which she was mechanically
ventilated. Two weeks before admission, she took isotretinoin for less than a week for
disfiguring acne. Diagnosis of drug-induced acute eosinophilic pneumoniae (EP) was made after
excluding other causes of AEP. Even before starting steroid treatment, the patient improved significantly,
which was in alignment with the elimination of the active metabolite of isotretinoin.

Conclusion:
The presented case underlines the importance of performing a thorough history and
consider recently started drugs as the cause of eosinophilic pneumoniae, even if they have not yet
been described as a known trigger of drug-induced EP.
Application of Deep Learning Neural Networks in Computer-Aided Drug Discovery: A Review
Authors: Mathivanan Jay Shree , Dhayabaran Victor Violet , David Mary Rajathei , Karuna Nidhi Muthugobal Bagayalakshmi , Prasath Karuppasamy Muthuvel , Suvaithenamudhan Suvaiyarasan 
Published: January 2024

:
Computer-aided drug design has an important role in drug development and design. It has
become a thriving area of research in the pharmaceutical industry to accelerate the drug discovery
process. Deep learning, a subdivision of artificial intelligence, is widely applied to advance new drug
development and design opportunities. This article reviews the recent technology that uses deep
learning techniques to ameliorate the understanding of drug-target interactions in computer-aided
drug discovery based on the prior knowledge acquired from various literature. In general, deep learning
models can be trained to predict the binding affinity between the protein-ligand complexes and
protein structures or generate protein-ligand complexes in structure-based drug discovery. In other
words, artificial neural networks and deep learning algorithms, especially graph convolutional neural
networks and generative adversarial networks, can be applied to drug discovery. Graph convolutional
neural network effectively captures the interactions and structural information between atoms and
molecules, which can be enforced to predict the binding affinity between protein and ligand. Also,
the ligand molecules with the desired properties can be generated using generative adversarial networks.
Design, Synthesis, In vitro and In vivo Evaluation of New Imidazo[1,2-a]pyridine
Derivatives as Cyclooxygenase-2 Inhibitors
Authors: Ahmadi Nahid , Khoramjouy Mona , Azami Movahed Mahsa , Amidi Salimeh , Faizi Mehrdad , Zarghi Afshin 
Published: January 2024

Background:
Cyclooxygenase-2 (COX-2), the key enzyme in the arachidonic acid conversion to prostaglandins,
is one of the enzymes associated with different pathophysiological conditions, such as inflammation,
cancers, Alzheimer's, and Parkinson's disease. Therefore, COX-2 inhibitors have emerged as potential therapeutic
agents in these diseases.

Objectives:
The objective of this study was to design and synthesize novel imidazo[1,2-a]pyridine derivatives
utilizing rational design methods with the specific aim of developing new potent COX-2 inhibitors. Additionally,
we sought to investigate the biological activities of these compounds, focusing on their COX-2 inhibitory effects,
analgesic activity, and antiplatelet potential. We aimed to contribute to the development of selective COX-2 inhibitors
with enhanced therapeutic benefits.

Methods:
Docking investigations were carried out using AutoDock Vina software to analyze the interaction of
designed compounds. A total of 15 synthesized derivatives were obtained through a series of five reaction steps.
The COX-2 inhibitory activities were assessed using the fluorescent Cayman kit, while analgesic effects were
determined through writing tests, and Born's method was employed to evaluate antiplatelet activities.

Results:
The findings indicated that the majority of the tested compounds exhibited significant and specific inhibitory
effects on COX-2, with a selectivity index ranging from 51.3 to 897.1 and IC50 values of 0.13 to 0.05 μM.
Among the studied compounds, derivatives 5e, 5f, and 5j demonstrated the highest potency with IC50 value of
0.05 μM, while compound 5i exhibited the highest selectivity with a selectivity index of 897.19. In vivo analgesic
activity of the most potent COX-2 inhibitors revealed that 3-(4-chlorophenoxy)-2-[4-(methylsulfonyl) phenyl]
imidazo[1,2-a]pyridine (5j) possessed the most notable analgesic activity with ED50 value of 12.38 mg/kg. Moreover,
evaluating the antiplatelet activity showed compound 5a as the most potent for inhibiting arachidonic acidinduced
platelet aggregation. In molecular modeling studies, methylsulfonyl pharmacophore was found to be
inserted in the secondary pocket of the COX-2 active site, where it formed hydrogen bonds with Arg-513 and
His-90.

Conclusion:
The majority of the compounds examined demonstrated selectivity and potency as inhibitors of
COX-2. Furthermore, the analgesic effects observed of potent compounds can be attributed to the inhibition of
the cyclooxygenase enzyme.