Articles with "molecular structure" as a keyword



Simultaneously Achieving Highly Efficient and Stable Polymer:Non‐Fullerene Solar Cells Enabled By Molecular Structure Optimization and Surface Passivation

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Published in 2022 at "Advanced Science"

DOI: 10.1002/advs.202104588

Abstract: Despite the tremendous efforts in developing non‐fullerene acceptor (NFA) for polymer solar cells (PSCs), only few researches are done on studying the NFA molecular structure dependent stability of PSCs, and long‐term stable PSCs are only… read more here.

Keywords: polymer; surface passivation; solar cells; non fullerene ... See more keywords

Molecular Structure, Docking, Spectroscopic Characterization, Antibacterial, and Anticancer Activity of Copper(I, II), Silver(I), and Cadmium(II) Complexes

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Published in 2025 at "Applied Organometallic Chemistry"

DOI: 10.1002/aoc.7990

Abstract: Seven new complexes of [Cu(H2L)2]I.2H2O (C1), [Cu(H2L)(HL)]ClO4.2H2O (C2), Ag(H2L)NO3 (C3), Ag2(H2L)(OAc)2 (C4), Cd (HL)(OH) (C5), Cd (HL)NO3 (C6), and Cd (HL)Cl (C7) of [N‐phenyl‐2‐(phenylglycyl)hydrazine‐1‐carbothioamide](H2L) have been synthesized and characterized by various techniques. All metal complexes… read more here.

Keywords: h2l; anticancer; antibacterial anticancer; structure docking ... See more keywords

Effects of Molecular Structure Design on the Thermal, Mechanical, and Dielectric Properties of Polyarylene Ether Nitrile for Low‐Dielectric Applications

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Published in 2025 at "Journal of Applied Polymer Science"

DOI: 10.1002/app.57152

Abstract: With the advent of the 5G communication era, low‐dielectric materials have become essential for efficient signal transmission, making the development of polymer materials with low‐dielectric constants a critical research focus. Polyarylene ether nitrile (PEN), a… read more here.

Keywords: polyarylene ether; molecular structure; low dielectric; dielectric properties ... See more keywords

Molecular Structure Insights Into Antioxidant, Anti‐Inflammatory, and Computational Investigations: Molecular Docking and Dynamics Studies on Enzyme Inhibitors

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Published in 2025 at "Journal of Cellular Biochemistry"

DOI: 10.1002/jcb.70033

Abstract: Solanum erianthum D. Don (Solanaceae) species has wide range of usage in treating disease in folk medicine. This study focused on the isolation and characterization of Phytol, βCaryophyllene (βc), and Methoxy ‐ 4‐ Quercetin (M4Q)… read more here.

Keywords: molecular docking; structure insights; antioxidant anti; insights antioxidant ... See more keywords
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The molecular structure and role of LECT2 or CHM-II in arthritis, cancer, and other diseases.

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Published in 2021 at "Journal of cellular physiology"

DOI: 10.1002/jcp.30593

Abstract: Leukocyte cell-derived chemotaxin-2 (LECT2 or LECT-2), also called chondromodulin II (ChM-II or CHM2) plays a versatile role in various tissues. It was first identified as a chemotactic factor to promote the migration of neutrophils. It… read more here.

Keywords: molecular structure; lect2; role lect2; role ... See more keywords

Molecular structure regulation of functional polylactic acid based on chain expansion reaction and its improved hydrolysis resistance

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Published in 2024 at "Polymers for Advanced Technologies"

DOI: 10.1002/pat.6302

Abstract: In this work, the functional polylactic acid (PLA) was synthesized using epoxy chain extender (ADR) as a chain extender agent through melt blending method. The effects of ADR content on the molecular structure, thermal properties, and… read more here.

Keywords: functional polylactic; structure; molecular structure; pla ... See more keywords

Molecular Structure Engineering of Graphitic Carbon Nitride for Photocatalytic Hydrogen Evolution: Recent Advances and Perspectives.

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Published in 2025 at "Small"

DOI: 10.1002/smll.202503954

Abstract: Photocatalytic hydrogen evolution has emerged as a sustainable strategy to address the global energy crisis and environmental challenges. Among various photocatalysts, graphitic carbon nitride (g-C3N4) has garnered significant attention due to its visible light responsiveness… read more here.

Keywords: structure; photocatalytic hydrogen; engineering; molecular structure ... See more keywords

MULTICOMPONENT SYNTHESIS AND MOLECULAR STRUCTURE OF 3-AMINO-2-AROYL(ALKOXYCARBONYL, ARYLCARBAMOYL)-4-ARYL(HETARYL)- 5-ARYLCARBAMOYL-6-METHYLTHIENO[2,3- b ]PYRIDINES

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Published in 2019 at "Chemistry of Heterocyclic Compounds"

DOI: 10.1007/4976

Abstract: Разработан новый эффективный метод синтеза функционализированных тиено[2,3- b ]пиридинов многокомпонентной конденсацией ароматических и гетероароматических альдегидов, цианотиоацетамида, ацетоацетанилидов и метиленактивных алкилирующих реагентов. Строение 3-амино-2-бензоил-6-метил- N -фенил-4-(фуран-2-ил)тиено[2,3- b ]пиридин-5-карбоксамида, 3-амино- N 2 -(4-бромфенил)-6-метил-4-(3-метилтиофен-2-ил)- N 5 -(4-хлорфенил)тиено[2,3- b… read more here.

Keywords: amino aroyl; molecular structure; multicomponent synthesis; structure amino ... See more keywords

Impact of fiber molecular structure on resistance to digestion using the infogest and rat small intestine extract protocols

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Published in 2025 at "European Journal of Nutrition"

DOI: 10.1007/s00394-025-03853-0

Abstract: Dietary fibers differ in their molecular structure, which influences their breakdown under digestive conditions. This study investigates how fiber molecular structure affects resistance to digestion using in vitro models. High-, medium-, and low-molecular-weight (Mw) corn… read more here.

Keywords: fiber molecular; molecular structure; digestion; digestion using ... See more keywords
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Theoretical investigation of the molecular structure, vibrational spectra, thermodynamic and nonlinear optical properties of 4, 5-dibromo-2, 7dinitro- fluorescein

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Published in 2020 at "Optical and Quantum Electronics"

DOI: 10.1007/s11082-020-02396-4

Abstract: In this article, we have investigated the structural analysis, thermodynamics, nonlinear properties and vibrational analysis of 4′,5′-dibromo-2′,7′-dinitro-3′,6′-dihydroxyspiro[isobenzofuran-1(3H),9′-[9H]xanthan]-3-one. We used the restricted Hartree–Fock and density functional theory (PBE1PBE, MPW1PW91, B3PW91 and B3LYP) approach to calculate the… read more here.

Keywords: energy; investigation molecular; molecular structure; theoretical investigation ... See more keywords
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Correlation Between Semiconductor Characteristics and Molecular Structure of New Types of Substituted 1,3,5 Triazine Derivatives

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Published in 2017 at "Silicon"

DOI: 10.1007/s12633-016-9509-6

Abstract: The synthesis of the mono-, di- and tri-(trityloxy) triazine by the interaction of cyanuric chloride with triphenylmethanol in tetrahydrofuran or acetone in the presence of sodium carbonate is reported. These compounds were characterized by elemental… read more here.

Keywords: band gap; triazine; molecular structure; correlation semiconductor ... See more keywords