Designing of new trans-stilbene derivative: An entry barrier of Zika virus in host cell.

A large population in the world lives in tropical and subtropical regions, showing a high risk of Zika viral infection which leads to a situation of global health emergency and demands extensive research to create effective antiviral medicines. Herein, we introduce the design of a new derivatized trans-stilbene molecule to investigate the inhibition of Zika virus entry into the host cell by molecular docking approach. The synthesized compound has been characterized by different analytical techniques such as FTIR, H NMR,C NMR and UV-visible spectroscopy as well as Mass spectrometry (MS).

Strain induced crystal lattice softening and improved thermoelectric performance of hydrogenated silicene for energy harvesting applications.

In recent years, Silicene has attracted great interest in various fields but does not fit well in the field of thermoelectrics due to the absence of electronic band gap. Nevertheless, hydrogenation of silicene (SiH) delocalize the free electrons and induces gap widening (2.19 eV), but its thermoelectric performance is still limited due to the larger band gap.

Design and Synthesis of Polyphenolic Imidazo[4,5-]quinoline Derivatives to Modulate Toll Like Receptor-7 Agonistic Activity and Adjuvanticity.

TLR-7/8 agonists are a well-known class of vaccine adjuvants, with a leading example now included in Covaxin, a licensed human COVID-19 vaccine. This thereby provides the opportunity to develop newer, more potent adjuvants based on structure-function studies of these classes of compounds. Imidazoquinoline-based TLR7/8 agonists are the most potent, but when used as a vaccine adjuvant side effects can arise due to diffusion from the injection site into a systemic circulation.

Synthesis of Triazolo[4',5':4,5]furo[2,3-]pyridine via Post Modification of an Unusual Groebke-Blackburn-Bienaymé Multicomponent Reaction.

The Groebke-Blackburn-Bienaymé (GBB) reaction is a well-established three-component reaction for synthesizing imidazofused scaffolds from heterocyclic amidines, aldehydes, and isonitriles. However, the replacement of pyridoxal as an aldehyde component in this reaction results in the formation of the furo[2,3-]pyridine skeleton as an "unusual GBB product". Despite the interesting nature of this unusual reaction, not much work was further reported.

Structure-Activity Relationships toward the Identification of a High-Potency Selective Human Toll-like Receptor-7 Agonist.

Toll-like receptor (TLR)-7 agonists are immunostimulatory vaccine adjuvants. A systematic structure-activity relationship (SAR) study of TLR7-active 1-benzyl-2-butyl-1-imidazo[4,5-]quinolin-4-amine led to the identification of a potent hTLR7-specific -hydroxymethyl IMDQ with an EC value of 0.22 μM.

Structure-activity relationship in NOD2 agonistic muramyl dipeptides.

Nucleotide-binding oligomerization domain 2 (NOD2) is a receptor of the innate immune system that is capable of perceiving bacterial and viral infections. Muramyl dipeptide (MDP, N-acetyl muramyl L-alanyl-d-isoglutamine), identified as the minimal immunologically active component of bacterial cell wall peptidoglycan (PGN) is recognized by NOD2. In terms of biological activities, MDP demonstrated vaccine adjuvant activity and stimulated non-specific protection against bacterial, viral, and parasitic infections and cancer.

Imidazo[2,1-b]thiazole based indoleamine-2,3-dioxygenase 1 (IDO1) inhibitor: Structure based design, synthesis, bio-evaluation and docking studies.

Indoleamine-2,3-dioxygenase 1 (IDO1) is an immunomodulatory enzyme known to catalyse the initial and rate limiting step of kynurenine pathway of l-tryptophan metabolism. IDO1 enzyme over expression plays a crucial role in progression of cancer, malaria, multiple sclerosis and other life-threatening diseases. Several efforts over the last two decades have been invested by the researchers for the discovery of different IDO1 inhibitors and the plasticity of the IDO1 enzyme ligand binding pocket provide ample opportunities to develop new heterocyclic scaffolds targeting this enzyme.

Intrinsic and strain dependent ultralow thermal conductivity in novel AuX (X = Cu, Ag) monolayers for outstanding thermoelectric applications.

A large power factor and ultralow lattice thermal conductivity in 2D-monolayers of AuX (X = Cu and Ag) are achieved first principles calculations. Low phonon frequency, small Debye temperature and high Gruneisen parameter limit the intrinsic thermal conductivity of both the studied materials. An ultra-low lattice thermal conductivity of 0.

Adsorption potential of ionic liquid-modified ZnO nanoparticles for highly efficient removal of azo dye: detailed isotherms and kinetics.

In this study, bare and ionic liquid-modified ZnO nanoparticles have been fabricated using microwave irradiation method. The fabricated nanoparticles were characterized by different techniques, viz. XRD, FT-IR, FESEM, and UV-Visible spectroscopy, and were explored as adsorbent for effective sequestration of azo dye (Brilliant Blue R-250) from aqueous media.

Perception of college-going girls towards corneal donation in North India: A latent class analysis study.

Purpose: To assess the perception of college-going girls toward corneal donation in Northern India.

Methods: An online survey with a pre-structured, pre-validated questionnaire was conducted on 1721 college-going girls in Northern India. The knowledge and attitude scores were regressed, and latent class analysis was carried out.

Nowotny-Juza phase KBeX (X = N, P, As, Sb, and Bi) half-Heusler compounds: applicability in photovoltaics and thermoelectric generators.

In the present research, we have considered KBeX (X = N, P, As, Sb, and Bi) half-Heusler compounds to study their inherent properties and have used FP-LAPW + lo scheme with density functional theory based WIEN2k package. The structural and band structural parameters have been explained, and various optical, thermoelectric, and thermodynamic parameters of half-Heuslers have also been analyzed in detail. The trend followed by the lattice constant of these materials approves the reliability of this investigation.

A Review on Polyacrylonitrile as an Effective and Economic Constituent of Adsorbents for Wastewater Treatment.

Water gets polluted due to the dumping of untreated industrial waste into bodies of water, particularly those containing heavy metals and dyes. Industrial water contains both inorganic and organic wastes. Numerous adsorbents that are inexpensive and easily available can be used to address the issue of water deterioration.

Electronic Structure-, Phonon Spectrum-, and Effective Mass- Related Thermoelectric Properties of PdXSn (X = Zr, Hf) Half Heuslers.

We hereby discuss the thermoelectric properties of PdXSn(X = Zr, Hf) half Heuslers in relation to lattice thermal conductivity probed under effective mass (hole/electrons) calculations and deformation potential theory. In addition, we report the structural, electronic, mechanical, and lattice dynamics of these materials as well. Both alloys are indirect band gap semiconductors with a gap of 0.

RadioBERT: A deep learning-based system for medical report generation from chest X-ray images using contextual embeddings.

Background: Increasing number of chest X-ray (CXR) examinations in radiodiagnosis departments burdens radiologists' and makes the timely generation of accurate radiological reports highly challenging. An automatic radiological report generation (ARRG) system is envisaged to generate radiographic reports with minimal human intervention, ease radiologists' burden, and smoothen the clinical workflow. The success of an ARRG system depends on two critical factors: i) quality of the features extracted by the ARRG system from the CXR images, and ii) quality of the linguistic expression generated by the ARRG system describing the normalities and abnormalities as indicated by the extracted features.

Psychological impact of the COVID-19 pandemic among adults in India: A longitudinal study.

A longitudinal follow-up design was used to study the psychological distress and coping among 168 individuals immediately after the national lockdown and after 6 months of the pandemic. Psychological distress was measured using the Depression, Anxiety, and Stress Scale (DASS-21). The coping strategies used were measured by the Brief-COPE, and Intolerance of Uncertainty Scale (IUS-12) was employed to measure response to uncertainty.

CADxReport: Chest x-ray report generation using co-attention mechanism and reinforcement learning.

Background: Automated generation of radiological reports for different imaging modalities is essentially required to smoothen the clinical workflow and alleviate radiologists' workload. It involves the careful amalgamation of image processing techniques for medical image interpretation and language generation techniques for report generation. This paper presents CADxReport, a coattention and reinforcement learning based technique for generating clinically accurate reports from chest x-ray (CXR) images.

Development of nanostructured lipid carriers as a promising tool for methotrexate delivery: physicochemical and evaluation.

The aim of the present study is to fabricate the stable nanostructured lipid carriers (NLCs) using biocompatible excipients for the encapsulation of Methotrexate (MTX), a chemotherapeutic agent for breast cancer treatment. MTX has restricted clinical applications owing to its low solubility, non-specific targeting and adverse side effects. Glyceryl Monostearate (GMS) and Miglyol 812 (MI1) were chosen as solid and liquid lipids, respectively, for the fabrication of NLCs, and the influence of variation of solid and liquid composition was investigated.

Association of screen time, quality of sleep and dry eye in college-going women of Northern India.

Purpose: To evaluate the association of daily screen time and quality of sleep with the prevalence of dry eye among college-going women.

Methods: This study was a cross-sectional, comparative questionnaire-based study of 547 college-going women in northern India. A 10-item Mini Sleep Questionnaire was used to check the quality of sleep, and the Standard Patient Evaluation of Eye Dryness (SPEED) scale was used to examine the prevalence of dry eye among college-going women.

Combined delivery of TLR2 and TLR7 agonists by Nanostructured lipid carriers induces potent vaccine adjuvant activity in mice.

Toll-like receptor (TLR) agonists are promising adjuvants and the combination of TLR agonists enhance immune responses by providing synergistic immune activity via triggering different signalling pathways. However, systematic cytotoxicity due to the immediate release of such immune potentiators from the site of injection hampers its clinical performance. Nanostructured lipid carriers (NLCs) offer a possibility to incorporate multiple TLR agonists with high encapsulation efficiency and slow drug release.

Development of Phosphatidylcholine/Tween 80 based biocompatible clove oil-in-water nanoemulsion as a green nanocarrier for controlled herbicide delivery.

Recently, the development of ecofriendly and biocompatible agrochemical delivery systems has garnered widespread attention because of their great potential in sustainable agri-food applications. Atrazine (ATZ) is a globally used herbicide used to control weeds, but it suffers from poor aqueous solubility, poor efficacy, and environmental loss. Herein, we report a novel, eco-friendly and biocompatible clove oil-based nanoemulsion as a green nanocarrier to enhance the solubility, bioavailability, and control release of ATZ.

Nanotechnology Based Approaches in Phage Therapy: Overcoming the Pharmacological Barriers.

With the emergence and spread of global antibiotic resistance and the need for searching safer alternatives, there has been resurgence in exploring the use of bacteriophages in the treatment of bacterial infections referred as phage therapy. Although modern phage therapy has come a long way as demonstrated by numerous efficacy studies but the fact remains that till date, phage therapy has not received regulatory approval for human use (except for compassionate use).Thus, to hit the clinical market, the roadblocks need to be seriously addressed and gaps mended with modern solution based technologies.