bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mesalamine may be a Plausible Therapeutic Agent for the Management of Diabetic Wounds: A Computational Approach
Authors: Jadeja Jayrajsinh , Kakasaniya Priya , Asodariya Jaydip , Yele Vidyasrilekha , Sanapalli Bharat Kumar Reddy 
Published: April 2023

Aim:
Validation of mesalamine (MS) as a potential therapeutic agent in treating diabetic
wound (DW) healing using in silico approach.

Background:
Diabetic wound (DW) is a serious consequence of diabetes that frequently results in the
amputation of the affected organ. Maggot therapy, pressure off-loading, surgical intervention, glucose
control, hyperbaric oxygen therapy, wound debridement, and other treatments are currently available for
DW. However, the majority of people do not meet all DW requirements due to significant pathology and
the high expense of the solutions.

Objective:
To address the issues with current conventional therapy, we reasoned that repurposing existing
medication (MS) to a target receptor that plays a significant role in the progression of DW might be advantageous.
Mesalamine (MS), also known as Mesalazine or 5- Aminosalicylic acid, is an aminosalicylate
anti-inflammatory used to treat inflammatory bowel disease (IBD), ulcerative colitis (UC), inflamed anus
or rectum. The complicated pathophysiology of DW, which includes prolonged inflammation, increased
infection, decreased cell proliferation, and migration, is a serious issue. As a result, we chose the MMP-9,
TNF-α, MurC, ParE, and GSK-3β receptors as a universal target for treating the complex pathogenesis of
DW. The use of MS as a therapeutic modulator on MMP-9, TNF-α, MurC, ParE, and GSK-3β receptors
was studied in the current hypothetical investigation.

Methods:
Computational studies such as molecular docking and MMGBSA were performed by using the
Schrödinger suite.

Results:
Computational investigations, such as molecular docking and MMGBSA were used to test our
theory. It is clear from the in silico methods that MS has a higher binding affinity for the designated receptors.
Hence, it is predicted that MS may be a good therapeutic agent to use in the treatment of DW.

Conclusion:
As a result of our findings, MS appears to be a unique therapeutic drug for the treatment of
DW. However, further studies are highly required to take MS into clinical use.
Insight into Quantum Computing and Deep Learning Approach for Drug Design
Authors: Paliwal Deepika , Rao Gudhanti Siva Naga Koteswara , Yadav Devdhar , Raj Prince 
Published: April 2023

:
In recent years, substantial modelling breakthroughs have been achieved in artificial intelligence
due to new algorithms, improved computer power, and expanded storage capacity. These factors
have made it possible to process large amounts of data in a short amount of time. By using quantum computing
in conjunction with deep learning models, it has been possible to explain the characteristics of
ligands and their interactions with biological targets. This contributes to the process of ligand identification
and ultimately results in the optimization of drug design. This review explains the extensive use of
quantum deep learning in the development of drug design from traditional to quantum-powered deep
learning neural networks that cover some domains like variational quantum Eigen solver, variational
quantum circuits, quantum convolutional deep neural networks, QC-based deep neural networks for
QSAR, as well as quantized generative models for the discovery of small drug molecules. Quantum computing
can execute incredible computational work tenfold faster than current technology, transforming
drug design, development, and post-marketing surveillance. This will reduce the time and resources needed
to develop a medicine. Scientific research is moving toward quantum computing since it is anticipated
that QC-based deep learning technologies can predict and mimic the characteristics, structures, and activities
of molecules more efficiently than different ML techniques or conventional computers.
Oral Microbial and Molecular Cross Talk between SARS-CoV-2 and
Diabetes Mellitus - A Mini Review
Authors: Kheur Supriya , Ghosal Sushmita , Desai Karishma Madhusudan 
Published: April 2023

Abstract:
The oral microbiome has long been considered a measure of overall systemic health. It
is often significantly altered in case of chronic inflammation or any other systemic infection.
Therefore, a shift in oral microbiota and oral health is bound to be observed in diabetics infected
with the coronavirus. The prognosis of COVID-19 in a diabetic individual is often worse than that
in a healthy individual. The increased pathogenicity of coronavirus in diabetics is due to the peculiar
ways in which it interacts with specific physiological mechanisms in a diabetic patient and vice
versa. Diabetes Mellitus Type-II (DM -II) is one of the most frequently associated co-morbidities
in a COVID-19 patient, and therefore it is even more pertinent that their interrelationship is understood.
It is essential to recognize the above-mentioned interactions and consider their implications
while treating susceptible patients. This article attempts to review and summarize the said vital interactions.
Additionally, it attempts to guide and prepare oral health professionals on what to expect
and how to treat diabetic patients in a future where coronavirus is, as unfortunate as it is, a
regularity and not a rarity.
Increased Brain Iron Deposition in Episodic Migraine: A Pilot Voxel-based
Quantitative Susceptibility Mapping
Authors: Chen Zhiye , Li Xin , Zhao He , Liu Mengqi 
Published: April 2023

Introduction:
Although iron deposition has been identified as a significant migraine trigger, the key structures in episodic migraine (EM) remain unknown.

Objective:
The aim of this study is to investigate cerebral iron deposition in EM using an advanced voxel-based quantitative susceptibility mapping (QSM).

Methods:
A multi-echo gradient echo sequence MR was performed in 15 episodic migraine patients (EMs) and 27 normal control subjects (NCs). The reconstructed quantitative susceptibility mapping images and voxel-based analysis were performed over the entire brain. The susceptibility value of all brain regions with altered iron deposition was extracted, and the correlations between susceptibility value and clinical variables (including HAMA, HAMD, MoCA, VAS, MIDAS score, diseased duration, and headache frequency) were calculated.

Results:
EM patients presented increased susceptibility value in the left putamen and bilateral substantia nigra (SN) compared with NC. There was no correlation between susceptibility value and the clinical variables.

Conclusion:
Increased brain iron deposition in the extrapyramidal system may be a biomarker for migraine, and abnormal iron metabolism may be involved in the extrapyramidal mechanism. The QSM technique would be an optimal and simple tool for clinical practice and research in iron measurement.
Clinical Characteristics and High-resolution Computed Tomography Findings
of 805 Patients with Mild or Moderate Infection from SARS-CoV-2 Omicron
Subvariant BA.2
Authors: Pan Yu-Ning , Gu Meng-Yin , Mao Quan-Liang , Ruan Xin-Zhong , Du Xian-Feng , Gao Xiang , Chen Xue-Qin , Li Ai-Jing 
Published: April 2023

Background:
COVID-19 is a global pandemic. Currently, the predominant strain is SARS-CoV-2 Omicron subvariant BA.2 in many countries. Understanding its infection characteristics can facilitate clinical management.

Objectives:
This study aimed to characterize the clinical, laboratory, and high-resolution computed tomography (HRCT) findings in patients with mild or moderate infection from SARS-CoV-2 Omicron subvariant BA.2.

Methods:
We performed a retrospective study on patients infected with SARS-CoV-2 Omicron subvariant BA.2 between April 4th and April 17th, 2022. The clinical characteristics, laboratory features, and HRCT images were reviewed.

Results:
A total of 805 patients were included (411 males and 394 females, median age 33 years old). The infection was mild, moderate, severe, and asymptomatic in 490 (60.9%), 37 (4.6%), 0 (0.0%), and 278 (34.5%) patients, respectively. Notably, 186 (23.1%), 96 (11.9%), 265 (32.9%), 11 (3.4%), 7 (0.9%), and 398 (49.4%) patients had fever, cough, throat discomfort, stuffy or runny nose, fatigue, and no complaint, respectively. Furthermore, 162 (20.1%), 332 (41.2%), and 289 (35.9%) patients had decreased white blood cell counts, reduced lymphocytes, and elevated C-reactive protein levels, respectively. HRCT revealed pneumonia in 53 (6.6%) patients. The majority of the lung involvements were ground-glass opacity (50, 94.3%) mostly in the subpleural area. The grade of lung injury was mainly mild (90.6%). Short-term follow-ups showed that most patients with pneumonia recovered.

Conclusion:
Most patients with mild or moderate infection from SARS-CoV-2 Omicron subvariant BA.2 were adults, with fever and upper respiratory symptoms as the main clinical presentations. Lower respiratory infection was mild, with ground-glass opacity in the subpleural area as the main finding.
Analysis of Various Phytoconstituents Derived from Tinospora cordifolia
(Willd.) Miers as Potential α-amylase and α-glucosidase Inhibitors for the
Treatment of Type 2 Diabetes Mellitus using Computational Approaches
Authors: Singh Gurpreet 
Published: April 2023

Background:
Because of their biological properties, phytochemicals have been essential
to nutraceutical treatment for diabetes mellitus. Various phytoconstituents derived from Tinospora
are reported to have immunomodulatory, anti-arthritis, antioxidant, anti-allergic cardio, and oxidatively-
induced stress protection.

Objectives:
This study aimed to identify and characterize the key phytoconstituents of Tinospora
cordifolia for their anti-inhibitory effects against α-amylase and α-glucosidase enzymes in controlling
carbohydrate metabolism and potential drug molecule against Type II Diabetes Mellitus

Methods:
Based upon the literature survey, various compounds of T. cardiofolia were deduced
from Pubchem and protein structure from the protein data bank. Virtual screening used Pyrx with
α- amylase and α- glucosidase. Compounds with the highest binding affinity score and 3-d interaction
analysis were used to identify the potential inhibitors among various compounds. Pharmacokinetic
studies for drug likeliness and toxicity properties were characterized using SWISS ADME and
ADMETSAR webservers

Results:
Based on their docking scores and binding affinities,, the biologically active compounds
from T. cardifolia viz were observed. Isocolumbin, cordifoliside B, β-sitosterol, ecdysone, palmitoside
E, Columbin and cordifoliside C interact with the active site amino acids of both the enzymes.
Drug-likeness and pharmacophore studies showed that potential anti α- amylase and α- glucosidase
inhibitors

Conclusion:
The compounds' efficacy of the screened phytoconstituents from T.cardifolia as prospective
therapeutic candidates can be due to their great affinity for the enzymes' catalytic region,
which can cause a conformation change and result in a reduction in enzyme activity. This study's
findings might indicate a way to create a new class of drugs.
Studying the Adsorption Process of Cadmium Ions by Fe3O4/Lmethionine/
graphene Oxide and Graphene Aerogel Nanocomposites from
Aqueous Environments
Authors: Abbasi Nooshin , Azar Parviz Aberoomand , Tehrani Mohammad Saber , Aliabad Javad Mokhtari 
Published: April 2023

Background:
In recent years, graphene oxide (GO) and its nanocomposites have shown effective
performance in wastewater treatment. Moreover, graphene aerogels (GAs) have excellent properties,
such as high surface area, high porosity, low density, high electrical conductivity, and good mechanical
properties, due to the combination of three-dimensional porous structures and excellent properties of graphene.

Methods:
In this study, synthesis of Fe3O4/L-methionine and graphene oxide and graphene aerogel nanocomposites
(Fe3O4/L-Met, Fe3O4/L-Met/GO, Fe3O4/L-Met/GA) was performed. Then, the synthesized
nanocomposites were confirmed by FT-IR, SEM and BET analyses. The adsorption capacity of cadmium
ion by methionine nanocomposites and the effect of various experimental parameters, such as contact
time, initial metal ion concentration, and initial pH, on the adsorption process were investigated.

Results:
The results showed that Fe3O4/L-Met at pH 7 was suitable for Cd (II) removal with 90% removal
efficiency. In addition, adsorption capacity experiments at a constant concentration of 50 ppm Cd2+
showed that more than 50% of Cd2+ ions could be adsorbed by Fe3O4/L-Met and reach equilibrium within
2 hours.

Conclusion:
Thus, Fe3O4/L-Met/GA showed high adsorption capacity towards Cd2+ (212.31 mg/g),
which was significantly higher than Fe3O4/L-Met (201.23 mg/g). Finally, adsorption kinetics and isotherm
studies were investigated. Adsorption data showed excellent fit with quasi-second order models
(R2> 0.99) and Freundlich isotherm models.
Solubility Enhancement and Antioxidant Potential of Silymarin: A Poorly
Water-soluble Drug
Authors: Arora Deepshi , Taneja Yugam , Dhingra Ashwani K. , Guarve Kumar , Chauhan Muskan , Nagpal Kajal 
Published: April 2023

Background:
Silymarin is extracted from the seeds of milk thistle (Silybum marianum), exhibits antioxidant properties, and is considered to treat numerous hepatic ailments like chronic liver
disease, cirrhosis, and chemical degradation of liver cells and prevent hepatotoxicity from various
drugs.

Objective:
The objective of the present study was to preclude the problem of poor dissolution of the
relatively water-insoluble drug by formulating solid dispersions of the drug.

Methods:
Solid dispersions of silymarin were prepared by solvent evaporation method by using different polymers, i.e., PEG 6000 and poloxamer 407, in various ratios such as 1:2, 1:4 and 1:6. The
compatibility of ingredients with the drug was tested by using Differential scanning calorimetry
(DSC), X-Ray Diffractometry, and Fourier Transform-Infrared Spectroscopy (FT-IR). The scavenging
activity of DPPH (2,2 diphenyl-1-picrylhydrazyl) radical was used to study the antioxidant activity,
and an in vitro release study was conducted using phosphate buffer pH 6.8 as dissolution medium followed by the kinetic assessment to study the drug release mechanism.

Results:
Solid dispersions with different polymers were successfully prepared by the solvent evaporation method. FTIR spectroscopy and DSC showed no chemical interaction between the drug and
polymers. Powder XRD analyses of optimized solid dispersions showed a relative decrease in
crystallinity compared to the pure drug. The dissolution profile of solid dispersions successfully
exhibited 90.78% drug released, and the optimized batch was found to follow Higuchi drug release
kinetics with an R2 value of 0.990. Furthermore, the optimized formulation F6 showed higher
antioxidant activity compared to pure silymarin and ascorbic acid.

Conclusion:
The elevated bioavailability, as well as absorption, consistently regulates the specific
therapeutic effect of the water-insoluble drug. The specific response of silymarin to various bodily
functions upgrades various activities like anti-aging effects, anti-cancer, antihypertensive, etc. Solid
dispersion of drugs with good aqueous solubility results in a decrease in dose frequency and enhanced
specificity of the drug mechanism.
New Insights into Microglia as Therapeutic Targets in Alzheimer’s Disease
Authors: Mandlik Deepa S. , Mandlik Satish K. , Choudhary Heena B. 
Published: April 2023

Abstract:
Alzheimer's disease (AD) is the most common neurodegenerative disease, accounting for
60–70% of dementia cases globally. Inflammation of the central nervous system (CNS) caused by microglia
is a common characteristic of neurodegenerative illnesses such as Parkinson's disease and AD.
Research has recently examined the relationship between neurodegenerative diseases and CNS microglia.
Microglial cells comprise 10–15% of all CNS cells and are brain-resident myeloid cells mediating
critical processes to support the CNS. Microglia have a variety of receptors that operate as molecular
sensors, detecting exogenous and endogenous CNS injuries and triggering an immune response.
Microglia serve as brain guardians by boosting phagocytic clearance and providing trophic
support to enable tissue repair and maintain cerebral homeostasis, in addition to their traditional immune
cell activity. At rest, microglia manage CNS homeostasis by phagocytic action, which removes
pathogens and cell debris. Microglia cells that have been "resting" convert into active cells that create
inflammatory mediators, protecting neurons and protecting against invading pathogens. Neuronal
damage and neurodegenerative disorders are caused by excessive inflammation. Different microglial
cells reply at different phases of the disease can lead to new therapy options and reduced inflammatory
activity. This review focuses on the potential function of microglia, microglia subtypes, and M1/M2
phenotypic changes associated with neurodegenerative disorders. Microglial membrane receptors, the
involvement of microglia in neuroinflammation, microglial targets in AD and the double role of microglia
in AD pathogenesis are also discussed in this review.
A Novel Hybrid IGSA-BPSO Optimized FOPID Controller for Load Frequency
Control of Multi-source Restructured Power System
Authors: Kumar Ajay , Gupta Deepak Kumar , Ghatak Sriparna Roy 
Published: April 2023

Background:
An investigation of Automatic Generation Control (AGC) for a two-area,
multi-source, interconnected power system under deregulation is presented in this article. For a
more realistic approach, physical constraints namely Generation Rate Constraints (GRC) and Time
Delay (TD) are incorporated into the system.

Objective:
This article proposed a novel hybrid Improved Gravitational Search Algorithm – Binary
Particle Search Optimization (IGSA-BPSO) optimized Fractional Order Proportional-Integral-
Derivative (FOPID) controller to regulate the frequency of a multi-area multi-source (thermalhydro-
gas) interconnected power system in a deregulated environment.

Methods:
Integral Time Multiplied by Absolute Error (ITAE) is used as the objective function to be
minimized by optimization techniques for getting optimum parameters of FOPID controllers installed
in each area.

Results:
To inspect the efficacy of the suggested method, the dynamics of the system are investigated
for poolco, bilateral and contract violation cases and the comparative results are also presented
and analyzed. The supremacy of the recommended technique is studied by comparing with other
well-known techniques namely GSA and PSO.

Conclusion:
The robustness of the proposed system is examined by sensitivity analysis after variations
in different system parameters. In this paper, the AC-DC tie-line model is incorporated for the
AGC mechanism. Dynamic load changes condition is also tested and verified. The study found that
the proposed controller provides improved system dynamics in all competitive electricity market
contract situations under varied system uncertainties.
A Comparative Study of the Performances of the LQR Regulator versus
the PI Regulator for the Control of a Battery Storage System
Authors: Nouri Achraf , Lachheb Aymen , El Amraoui Lilia 
Published: April 2023

Background:
This paper is consecrated to the development of a new approach to control
a bidirectional DC-DC converter dedicated to battery storage systems by applying an optimal control
based on a linear quadratic regulator (LQR) combined with an artificial neural network (ANN)
algorithm. A state representation of the Buck-boost converter is performed. Then the ANN-LQR
control strategy is compared to a classical control based on the proportional-integral controller
combined with an ANN algorithm. The ANN algorithm generates the reference charging or discharging
current based on a comparison between the power generated and the power consumed. In
order to obtain an accurate comparison, two identical systems are designed, each consisting of a
photovoltaic system optimized by an incremental conductance algorithm (INC) that powers a dynamic
load and a backup storage system consisting of a lithium-ion battery. A management and
protection algorithm is developed to protect the batteries from overcharge and deep discharge and
to manage the load availability on the DC bus. The simulation results show an improvement in the
performances of the storage system by the ANN-LQR control compared to the ANN-PI method
and an increase in the stability, accuracy, efficiency of the system is observed.

:
Photovoltaic (PV) energy is one of the most promising technologies for combating climate change
and meeting the urgent need for green renewable energy and long-term development. PV energy
generation has a number of advantages: Solar energy is limitless and available anywhere on the
planet. However, photovoltaic energy is intermittent and depends on meteorological conditions; also,
the energy consumed is unpredictable. For this reason, a storage system is necessary to overcome
these problems.

Objective:
The objective of this study is to develop an optimal control using a Linear Quadratic
Regulator (LQR) combined with a neural network algorithm (ANN) to improve the performance of
an electrical energy storage system and compare the results obtained with the classical control
based on the PI regulator.

Methods:
The state representation of the bidirectional Buck-boost converter was performed in order
to apply the optimal control and determine the gain K and the ANN algorithm allowed to determine
the charge and discharge current according to a comparison between the power produced
and consumed.

Results:
The simulation results obtained by two control methods can be used to compare and select
the appropriate control method to achieve optimal efficiency of the storage system.

Conclusion:
The combined ANN-LQR technique offer better performances and stability of the installation compared to the ANN-PI controller.
A INFLUÊNCIA DOS CUIDADOS PERIODONTAIS SOBRE OS BIOMARCADORES INFLAMATÓRIOS DE PACIENTES COM COVID-19
Authors: Benevides de Moraes Luis Eduardo , Tavares de Souza Natalia , Lamy Julia 
Published: April 2023

A infecção causada pelo novo coronavírus (SARS-CoV-2), denominada pela Organização Mundial de Saúde como COVID-19 é capaz de provocar complicações graves em seres humanos, tais como Síndrome Respiratória Aguda Grave (SRAG), tromboembolismo venoso, alterações cardiovasculares, lesões hepática e renal agudas, entre outras que podem levar à hospitalização e mortalidade do indivíduo. O mecanismo responsável por estas complicações seria uma suposta resposta hiperinflamatória do organismo que leva ao aumento de biomarcadores inflamatórios sanguíneos. Algumas condições de saúde como hipertensão arterial, diabetes, obesidade e doença renal crônica são apontadas como fatores de risco capazes de aumentar a morbidade da doença. Neste contexto, a literatura científica da atualidade sugere a associação entre a má qualidade de saúde bucal dos pacientes e o aparecimento destas doenças. Quadros infecciosos bucais como a doença periodontal crônica também são supostamente responsáveis por um aumento destes biomarcadores inflamatórios. Diante do exposto, o objetivo deste trabalho é avaliar, a partir de uma revisão da literatura disponível, o impacto dos cuidados de saúde bucal sobre os biomarcadores inflamatórios de pacientes portadores de COVID-19 hospitalizados.
Palavras-chaves: COVID-19; Saúde Bucal; Biomarcadores; Unidade de Terapia Intensiva.