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18 articles for “Molecular orientation”
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Phase Transition and Molecular Orientational Studies on Nematic Dimmer and Cholesteric Materials
Abstract: The binary mixture of nematic dimmer and cholesteric compounds viz., cholesteryl nonanoate (CN) and 1,7-bis-4-(4′-cyanobiphenyl) heptane (CB7CB) exhibits very interesting liquid crystalline phase’s at large range of concentrations and temperature. The concentrations with lower/higher percentage of CB7CB exhibit cholesteric and reentrant smectic-A phases sequentially when the specimen is cooled from its isotropic phase. The molecular tilt and birefringence have been discussed in the region of smetic-A and smectic-C phases, respectively …
Published in Research & Reviews : Journal of Physics · Vol. 7, Issue 1, 2018 · pp. 1–4 Read article
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A Comparative Study of the Structure–Property Relationships in CAD/CAM Milled vs. 3D-Printed High-Performance Polymers: Impact of Molecular Orientation on Abrasive-Wear Resistance
Abstract: Background: The transition from subtractive to additive manufacturing in prosthetic dentistry has introduced significant variations in the macromolecular architecture of high-performance polymers. While CAD/CAM milling utilizes high-density, industrially polymerized blocks, 3D printing (Additive Manufacturing) relies on layer-by-layer deposition, which may induce anisotropic molecular orientation. This retrospective study investigates how these distinct manufacturing “thermal histories” influence the long-term abrasive-wear resistance of PEEK and PEKK restorations. Materials and Methods: Data were retrospectively …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 · pp. 133–140 Read article
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Composite Gel-Fibers and Solid-State-Processed Tapes Based on Disentangled Ultra-High Molecular Weight Polyethylene and Electrically Conductive Carbon Black: a Comparative Study
Abstract: In this study, oriented nanocomposite gel-spun fibers and solid-state-processed tapes were manufactured and analyzed. The fibers and tapes were produced using a specific type of nascent disentangled ultra-high molecular weight polyethylene (UHMWPE) reactor powder. As the filler, commercially available electrically conductive carbon black (CB) was used. The ultra-high filler content values up to 75 wt.% were achieved for the UHMWPE/CB gel-spun fibers, while the degree of filling was limited (up …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 151–165 Read article
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Multitarget Molecular Docking Using Curcuma longa Phytocompounds for Polycystic Ovary Syndrome Treatment
Abstract: Objective: The primary goal of this research is to understand and describe specific aspects of molecular interaction, it includes studying various aspects such as binding affinity, binding mode, and stability of the ligand-protein complex. Molecular docking is a computational technique used to predict the preferred orientation of one molecule to a second when bound together to form a stable complex. In this study, molecular docking will be employed to stimulate …
Published in International Journal of Molecular Biotechnological Research · Vol. 2, Issue 1, 2024 · pp. 15–28 Read article
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Molecular Docking: A Powerful Approach for Structure based Drug Discovery
Abstract: Molecular Docking is a method which predicts the preferred orientation of one molecule to a second when bound to each other to form a stable complex. Knowledge of the preferred orientation in turn may be used to predict the strength of association or binding affinity between two molecules using, for example, scoring functions. The associations between biologically relevant molecules such as proteins, nucleic acids, carbohydrates, and lipids play a central …
Published in Research & Reviews: A Journal of Bioinformatics · Vol. 3, Issue 2, 2016 · pp. 15–19 Read article
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Recent Studies Done on Molecular Docking: A Review
Abstract: AbstractIn the field of molecular modeling, docking is a method which predicts the preferred orientation of one molecule to a second when bound to each other to form a stable complex. Knowledge of the preferred orientation in turn may be used to predict the strength of association or binding affinity between two molecules using, for example, scoring functions. Keywords: Molecular modelling, docking, scoring function Cite this Article Rahuldeep. Recent Studies …
Published in Research & Reviews: A Journal of Bioinformatics · Vol. 4, Issue 2, 2017 · pp. 21–23 Read article
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Computational Modeling of Polymer Semiconductors for Electronic Applications
Abstract: Polymer semiconductors have become important materials in modern electronic applications because they combine semiconducting behavior with mechanical flexibility, low-cost processing, and tunable molecular structure. Their growing use in organic field-effect transistors, organic photovoltaics, organic light-emitting diodes, and flexible sensing devices has increased the need for accurate computational approaches that can predict material properties and device performance before experimental fabrication. This paper reviews the major computational modeling techniques used for polymer …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 132–146 Read article
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Phase Behaviour Study of a Mesogen in a Solvent Role of Molecular Rigidity and Configurational Entropy
Abstract: The phase behaviour of a nematogen 4’-n-pentyloxy-4-biphenylcarbonitrile (POBPCB) has been studied with respect to the translational and orientational motions. The charges of atoms and their dipole moments have been estimated by implementing the complete neglect differential overlap (CNDO/2) method. The long-range interactions have been analyzed using modified Rayleigh- Schrodinger Perturbation theory together with the multicentred-multipole expansion scheme. The “6- exp” potential function has been considered to study the short-range interactions. …
Published in Research & Reviews : Journal of Physics · Vol. 9, Issue 4, 2020 Read article
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Recent Advances in Nanotechnology-Assisted Liquid Crystal Biosensors for Sensitive and Naked-Eye Detection of Antibiotics
Abstract: The widespread use of antibiotics in healthcare, veterinary medicine, agriculture, and aquaculture has resulted in increasing levels of antibiotic residues in food products and environmental samples, posing significant risks to human health and contributing to antimicrobial resistance. Conventional analytical methods, including high-performance liquid chromatography (HPLC), liquid chromatography–mass spectrometry (LC–MS), enzyme-linked immunosorbent assay (ELISA), and electrochemical techniques, offer excellent sensitivity but require sophisticated instrumentation, skilled personnel, and extensive sample preparation. In …
Published in International Journal of Crystalline Materials · Vol. 3, Issue 2, 2026 Read article
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Comprehensive Review of Adenoid Cystic Carcinoma: Pathogenesis, Diagnosis, and Emerging Therapeutic Approaches
Abstract: Adenoid cystic carcinoma (ACC)is an infrequent neoplasm, highly malignant, that develops mainly in the salivary glands with the potential to exist in any secretory glandular sites, including the lacrimal glands, breast, and respiratory tract. ACC usually has a benign initial course, but conversely, it is notoriously aggressive in behavior with high incidence of perineural invasion, local recurrence, and distant metastasis, mostly to the lungs. The tumor’s molecular features are characterized …
Published in Research and Reviews: Journal of Oncology and Hematology · Vol. 14, Issue 3, 2025 · pp. 1–17 Read article
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Size Dependence of Magnetization of Metal and Metal Oxides Nanoparticles
Abstract: Variation of magnetization of metal and metal oxides nanoparticle is a matter of great debate from last decade. Researchers are still striving for the exact theory to explain this property of materials at the Nano level. In the present work we have analyzed the magnetic properties of Fe3O4, CoFe2O4 and Ni nanoparticles and studied the variation of their magnetization with their sizes. We have also computed the variation of the …
Published in Journal of Nanoscience, NanoEngineering & Applications · Vol. 11, Issue 3, 2021 · pp. 9–17 Read article
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The Induction, Formation, and Establishment of Giant Cell in Plant-Parasitic (Meloidogyne Spp.)-Host Interactions: A Molecular and Cellular Basis
Abstract: Root-knot nematodes, (RKN) are obligatory endoparasites of over 3000 plant species, causing $70 billion in annual economic losses globally. The second stage juveniles hatch from the eggs invade the root apex and inject pathogen effectors that induce specialized feeding cell called Giants cell that are large multinucleated cell formed, due to repeated cycles of mitosis without cytokinesis and served sole source of feeding site for rootknot nematode. The ability RNN …
Published in Research & Reviews: A Journal of Pharmacognosy · Vol. 11, Issue 2, 2024 · pp. 34–45 Read article
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In-Silico Design and Study of Novel Tetrahydro-β-Carbolines as Inhibitor of HIV-1 Reverse Transcriptase
Abstract: In the present study, we have designed 50 novel tetrahydro-β-carboline derivatives as non-nucleoside inhibitors of HIV-1 reverse transcriptase. Docking studies of designed analogs were performed by molecular modeling software AutoDock 4.2 using HIV-1 reverse transcriptase (PDB ID: 1RT2) as receptor. Lipinski rule of five parameters and toxicity parameters were derived through online servers Molinspiration and Osiris property explorer respectively. Docking parameters such as binding free energy and predicted inhibitory constant …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 3, Issue 1, 2016 · pp. 19–30 Read article
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Precision Medicine for Neurofibromatosis Type 1: Progress and Prospects in Drug Discovery
Abstract: Objective: The development of neurofibromas, café-au-lait spots, and other neurological problems are the hallmarks of neurofibromatosis type 1 (NF1), a hereditary disorder. The dearth of efficacious pharmaceutical therapies underscores the need for novel therapeutic approaches, even in the face of clinical variability. Through very accurate prediction of the binding affinity of possible therapeutic drugs with the target protein, the computational technique known as “molecular docking” has become a potent tool …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 2, Issue 1, 2024 · pp. 01–15 Read article
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Computational study of some heterocyclic scaffolds derived from quinazoline and Mannich base Sydnone
Abstract: AbstractThe current study reports design and diversity-oriented synthesis of novel heterocycles incorporating thioureido linkage and mesoionic compounds could find new applications in biology. Employing reagent-based skeletal diversity approach; a facile synthesis of quinazoline and sydnone moiety has been accomplished. The synthesized compounds were characterized by IR and 1H NMR-spectral data, and elemental analysis. The structural and electronic properties of newly synthesized compounds have been explored theoretically by performing semi-empirical molecular …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 9, Issue 3, 2018 · pp. 8–12 Read article
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Crystal Engineering Strategies for Tailoring Mechanical Properties of Structural Materials
Abstract: Crystal engineering has emerged as a promising approach for designing materials with tailored mechanical properties, enabling advancements in various fields such as aerospace, automotive, and construction. This review examines the diverse strategies employed in crystal engineering to manipulate the mechanical behavior of structural materials. One key strategy involves controlling the crystal structure at the atomic level through techniques such as alloying, doping, and phase transformations. Alloying introduces foreign atoms into …
Published in International Journal of Crystalline Materials · Vol. 1, Issue 1, 2024 · pp. 01–06 Read article
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Assessment and In Vitro Studies of Potent Amylase Inhibitor from Different Plant Species
Abstract: Flavonoids are naturally occurring compounds widely distributed in plants, which have hypoglycemic potential. Amylase inhibitors belong to flavonoids that block amylases which are involved in hydrolyzing the carbohydrates to yield low molecular weight dextrin and sugars. Inhibition of α-amylase along with α-glucosidase can significantly reduce the post-prandial increase of blood glucose and can be an important strategy in the control of blood glucose level in the type-2 diabetic patients. In …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 5, Issue 2, 2018 · pp. 1–6 Read article
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Computational Software Assisted Multiple Therapeutic Targets Oriented Screening of Some Natural Alkaloid Compounds
Abstract: The current efforts endeavor towards the computational exploration of some interestingpharmacological potentials of some natural alkaloids by using the Schrodinger Maestro 9.1software. The excellence in therapeutics was screened against five most imperative targets:Cyclin-Dependent Kinase-5 (anti-cancer), Cycloxygenase-2 (anti-inflammatory), Proteinkinase C (anti-cancer), Dipeptidyl peptidase (anti-diabetic), and Angiotensin-1-ConvertingEnzyme (anti-hypertensive). The alkaloids which were previously reported to possessantibiotic activities against Bacillus subtilis, Staphylococcus aureus, and Mycobacteriumsmegmatis and anti-photo-oxidative, have now perceived to be multi-dimensional …
Published in Research and Reviews : Journal of Computational Biology · Vol. 8, Issue 2, 2019 · pp. 5–9 Read article