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On the quest for solar energy harvesters and nonlinear optics: a DFT exploration of A-D-D-A framework with varying sp2 hybridization
(Springer, 2025)In response to address the constraints of fullerene analogues, scientists are constantly working on developing low-cost fullerene-free functionalization for nanoscale organic photovoltaics. During the present study, the ... -
Exploring structural basis of photovoltaic dye materials to tune power conversion efficiencies: A DFT and ML analysis of Violanthrone
(Elsevier Ltd, 2025)This study employs a systematic approach to modify Violanthrone (V) structures and analyze their impact on photovoltaic (PV) properties. We use cheminformatics based Python library based RDKit tool to calculate their ... -
A machine learning and DFT assisted analysis of benzodithiophene based organic dyes for possible photovoltaic applications
(Elsevier B.V., 2025)We present a synergistic approach to combine Machine Learning (ML), Density Functional Theory (DFT), and molecular descriptor analysis for designing high-performance benzodithiophene (BDT) based chromophores. A dataset of ... -
Evaluating the electronic and structural basis of carbon selenide-based quantum dots as photovoltaic design materials : A DFT and ML analysis
(Elsevier Ltd, 2024)We present a new study on the design, discovery and space generation of carbon selenide based photovoltaic (PV) materials. By extending acceptors and leveraging density functional theory (DFT) and machine learning (ML) ... -
Molecular engineering on tyrian puprle natural dye as TiO2 based fined tuned photovoltaic dye material: DFT molecular analysis
(2024)In this research, molecular modification is employed to see the enhancement in the efficiency of Tyrian Purple (TP), a natural dye, for organic photovoltaic materials. By using Density Functional Theory (DFT) based molecular ... -
Theoretical calculations of nonlinear optical responses for interpreting nonconjugated molecular systems to affect non-optimal properties
(2024)Understanding the intricacies of polymorphic origins in nonconjugated crystal systems is crucial for optimizing their properties. This study focuses on the crystal growth, characterization, and nonlinear optical (NLO) ... -
Transfer and persistence of microbiota markers from the human hand to the knife: A preliminary study
(2024)New scientific techniques and methods are always needed to link the perpetrators to the incident or the crime scene. Recent microbiota studies based on NGS (Next-generation sequencing) show that various biological samples ... -
Exploration of deep UV-NLO responses of non-conjugated crystal systems by harnessing aprotic solvents: DFT vs experimental
(2024)This study introduces a newly found form of a non-conjugated crystal called 1,3,5-triazine-2,4,6-triamine polymorph (TT), TT ), which demonstrates a well-rounded UV nonlinear optical (NLO) behavior. By employing solvent-assisted ... -
Innovative fluorescent polymers in niosomal carriers: a novel approach to enhancing cancer therapy and imaging
(2024)Cancer is anticipated to become the pioneer reason of disease-related deaths worldwide in the next two decades, underscoring the urgent need for personalized and adaptive treatment strategies. These strategies are crucial ... -
Investigation of neurosphere activity of injectable 3D graphene bioink biomaterial
(2024)PurposeThe aim of this study includes the comparative examination of neurosphere formation by WJ-derived mesenchymal stem cells in both 2D media and 3D injectable graphene and graphene-free bioink systems in terms of both ... -
Applications of stem cell-derived extracellular vesicles in nerve regeneration
(2024)Extracellular vesicles (EVs), including exosomes, microvesicles, and other lipid vesicles derived from cells, play a pivotal role in intercellular communication by transferring information between cells. EVs secreted by ... -
Detection methods for Legionella pneumophila in diverse environmental conditions: A comparative study of FISH, seminested PCR and conventional culture
(2024)Aims: Legionella bacteria cause Legionnaires' disease and Pontiac fever. It is commonly found in natural water resources and manmade water systems. Environmental conditions such as nutrient deficiency, temperature, pH, ... -
Evaluation of Bacteriophage ϕ11 host recognition protein and its host-binding peptides for diagnosing/targeting of Saphylococcus aureus infections
(2024)Evaluating the potential of using both synthetic and biological products as targeting agents for the diagnosis, imaging, and treatment of infections due to particularly antibiotic-resistant pathogens is important for ... -
Lipases for targeted industrial applications, focusing on the development of biotechnologically significant aspects: A comprehensive review of recent trends in protein engineering
(2024)Lipases are remarkable biocatalysts, adept at catalyzing the breakdown of diverse compounds into glycerol, fatty acids, and mono- and di-glycerides via hydrolysis. Beyond this, they facilitate esterification, transesterification, ... -
Developments of possible clinical diagnostic methods for parkinson's disease: event-related potentials
(2024)In this study, Event-Related Potential (ERP) analyzes were performed to detect cognitive impairments in PD with Deep Brain Stimulation (DBS). A total of 85 volunteers underwent ERP analysis and neuropsychological testing ... -
Multi-modal Battle Royale optimizer
(Springer, 2024)Multimodal optimization poses a challenging problem in the field of optimization as it entails the discovery of multiple local and global optima, unlike unimodal optimization, which seeks a single global solution. In recent ... -
Monte Carlo simulation of liver dosimetry with yttrium-90 radionuclide using gate: 3D phantom
(Pleiades Publishing, 2024)Abstract: This study is aimed to validate 90Y dosimetry with MC simulation by comparing the TLD measurements results obtained in 3D liqid phantom (LP) and its monte carlo (MC) simulation. In the first step, tumor imitation ... -
Excited state dependent fast switching NLO behavior investigation of sp2 hybridized donor crystal as D-π-A push–pull switches
(Elsevier B.V., 2024)This research focused on the investigating electronic and optical properties of designed chromophores (TPTP1-TPTP5) to involve their comprehensive analysis, including geometry optimization, UV–Vis spectroscopy, analysis ... -
Nasal sprays containing mometasone furoate can be used prophylactically in COVID-19 infection and related smell disorders
(Marmara Üniversitesi, 2023)Objective: We aimed to emphasize the possible beneficial effects of intranasal sprays containing mometasone furoate, especially for preventive treatment or supportive treatment in patients with olfactory disorders due to ...
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