Review
Biochemistry & Molecular Biology
Siddappa A. Patil, Shivaputra A. Patil, Ever A. Ble-Gonzalez, Stephen R. Isbel, Sydney M. Hampton, Alejandro Bugarin
Summary: This review discusses various carbazole derivatives and their antimicrobial activity, providing valuable references for medicinal chemists in their search for new approaches to combat microbial infections, which are a leading cause of death worldwide.
Article
Chemistry, Organic
Daniel Pecorari, Andrea Mazzanti, Stefano Gianvittorio, Simone Foschi, Stefano Stagni, Valentina Fiorini, Michele Mancinelli
Summary: The stereodynamic properties of amino bis-mesityl-boranes bearing carbazole and benzocarbazole as donor heterocycles were investigated through dynamic NMR analysis and DFT calculations. Different pi-contributions to the B-N bond were found for the two series, leading to pronounced variations in the fluorescence spectra.
ORGANIC CHEMISTRY FRONTIERS
(2021)
Article
Chemistry, Organic
Ya Li, Xing Chen, Wenying Zhang, Junzheng Zhang, Liang Xu, Yali Qiao, Kanglei Liu, Nan Wang, Pangkuan Chen, Xiaodong Yin
Summary: Researchers have prepared a series of compounds with strong photoluminescence, one of which shows potential application in bioimaging.
Article
Materials Science, Multidisciplinary
Seyhan Salman, Xavier Sallenave, Audrius Bucinskas, Dmytro Volyniuk, Oleksandr Bezvikonnyi, Viktorija Andruleviciene, Juozas Vidas Grazulevicius, Gjergji Sini
Summary: This study investigates the impact of methoxy substitutions on the optoelectronic properties and hole-transport properties of carbazole-bridge-carbazole compounds. It reveals a delicate balance between positive and negative effects depending on the substitution topology and nature of the bridge, with methoxy substituents reducing hole mobilities due to enhanced molecular polarity. The differences in geometries and hole transport properties of the compounds are explained in terms of the different symmetries of carbazole units, offering insights into improving hole mobility for targeted applications.
JOURNAL OF MATERIALS CHEMISTRY C
(2021)
Article
Chemistry, Applied
Wei Jiang, Xiaoyan Ma, Dan Liu, Guimin Zhao, Wenwen Tian, Yueming Sun
Summary: A series of novel charge transfer (CT) cocrystal C1-C4 were designed and synthesized with tunable fluorescence emission, showing that donors with larger pi-moiety, lower ionization potential (IP) value, and planar configuration enhance CT degree and emission wavelength. This study provides a platform to understand the structure-fluorescence relationship and easily achieve tunable emission behavior by selecting suitable D/A individual components via CT cocrystal method.
Article
Physics, Applied
Jiu-Xun Sun, Hong-Chun Yang, Yang Li, Hai-Juan Cui
Summary: Although the accurate solution of the drift-diffusion model has been a challenge in semiconductor physics, this study presents a new approach based on Fermi-Dirac statistics and a general mobility model. The results demonstrate noticeable differences between the accurate solution and other existing solutions, such as the Scharfetter-Gummel scheme and the Mott-Gurney equation.
PHYSICAL REVIEW APPLIED
(2023)
Article
Engineering, Electrical & Electronic
Khrystyna Ivaniuk, Pavlo Stakhira, Iryna Yaremchuk, Stepan Kutsiy, Tetiana Bulavinets, Dmytro Volyniuk, Ivan Klymenko, Galyna Sych, Nataliya Karaush-Karmazin, Amjad Ali, Aliaksei Vaitusionak, Sergei Kostjuk, Juozas Vidas Grazulevicius, Glib Baryshnikov
Summary: In this paper, a multifunctional molecule called 9-(2,3,5,6-tetrafluoro-4-vinylphenyl)carbazole (Cz4FS) is reported, which can be used as a fluorescent emitter, host material, acceptor part, and monomer in various organic light-emitting devices (OLEDs) applications. The molecule shows excellent performance in terms of efficiency and brightness, making it a promising candidate for different OLED applications.
ACS APPLIED ELECTRONIC MATERIALS
(2023)
Article
Chemistry, Applied
Bhupendra Kumar Dwivedi, Prasanta Bhowmik, Daya Shankar Pandey
Summary: AIE-active luminophores (PYZ1-PYZ4) with substituted pyrazole as a donor and cyanomethylene/benzothiazole as acceptor units have been synthesized and characterized. These systems exhibited efficient aggregation induced emission and solid-state emission with good quantum yield. Additionally, they showed acid/base-induced reversible solid-state fluorescence switching and can be used as solid-state acid/base sensors. Structure-property relationship investigations indicated that photophysical properties of these compounds are strongly influenced by structural changes.
Article
Chemistry, Multidisciplinary
Guru Row Roman Gajda, Daniel Mariusz Tchon, Anna Makal
Summary: The crystal structure and intermolecular interactions of a luminescent pyrene-pyrazole-aldehyde (PPPcA) were analyzed using experimental charge density analysis, periodic DFT calculations, and high-pressure crystallography. The luminescent properties of PPPcA under pressure were reported, showing that a pair of C-H···O hydrogen bonds played a significant role. However, the presence of strong intermolecular interactions does not guarantee changes in luminescent properties.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Engineering, Electrical & Electronic
Hongyuan Liu, Puhang Cheng, Qian Chen, Xiaorui Liu
Summary: In this study, three well-designed carbazole derivatives-based hole transport materials were explored and one of them (HY1) was found to exhibit superior performance in perovskite solar cells. The results indicate that modulating the planarity of the molecules is an effective strategy to enhance the material's properties.
JOURNAL OF ELECTRONIC MATERIALS
(2022)
Article
Agriculture, Multidisciplinary
Dongguo Xia, Xiang Cheng, Xiaohang Liu, Chengqi Zhang, Yunxiao Wang, Qiaoyun Liu, Qi Zeng, Niqian Huang, Yao Cheng, Xianhai Lv
Summary: Novel pyrazole carboxylate derivatives containing a flexible thiazole backbone were successfully synthesized and evaluated for their antifungal bioactivities. Compound 24 showed excellent bioactivities against Botrytis cinerea and Sclerotinia sclerotiorum, while compound 15 exhibited remarkable antifungal activity against Valsa mali. Compounds 3, 15, and 24 are promising antifungal candidates worthy of further fungicide development.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Marta Martinez-Abadia, Rajeev K. Dubey, Mercedes Fernandez, Miguel Martin-Arroyo, Robert Aguirresarobe, Akinori Saeki, Aurelio Mateo-Alonso
Summary: This study demonstrates that twisted molecular nanoribbons can self-assemble into ordered gels, and their morphologies and sol-gel transitions vary with the length of the nanoribbons. The nanoribbon gels also exhibit red fluorescence and pseudoconductivity values in the same range as current state-of-the-art gels.
Article
Chemistry, Physical
Povilas Luizys, Jianxing Xia, Maryte Daskeviciene, Kristina Kantminiene, Ernestas Kasparavicius, Hiroyuki Kanda, Yi Zhang, Vygintas Jankauskas, Kasparas Rakstys, Vytautas Getautis, Mohammad Khaja Nazeeruddin
Summary: A set of novel branched molecules has been developed for use in perovskite solar cells, showing high thermal stability and glass-transition temperatures. The hole-drift mobility is comparable to the reference standard under identical conditions, and devices using the new organic electronic materials demonstrate slightly enhanced performance compared to those using spiro-OMeTAD.
CHEMISTRY OF MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Yu-Ying Jiang, Hui Liu, Ting Li, Kun Zhang, Peng-Fu Gao, Meng-Shu Zhou, Li-Lei Zhang, Hong-Ru Fu
Summary: Controlling molecular packing has a significant impact on the aggregate states and optoelectronic characteristics. In this study, two coordination polymers with different molecular packing modes were synthesized through coordination-driven self-assembly. It was found that the molecular packing mode has a profound effect on the emission characteristics. Compound 1, which features a monomer packing mode, exhibits both blue fluorescence and ultralong phosphorescence at room temperature, while compound 2, which lacks phosphorescence, shows excimer-dominated green fluorescence emission.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Multidisciplinary
Mo Xie, Xiao-Ru Chen, Kun Wu, Zhou Lu, Kai Wang, Nan Li, Rong-Jia Wei, Shun-Ze Zhan, Guo-Hong Ning, Bo Zou, Dan Li
Summary: This study demonstrates the design of a new piezochromic material by synthesizing a Cu(3)Pz(3) cyclic trinuclear complex. The complex exhibits an abnormal pressure-induced phosphorescence enhancement in one crystalline polymorph, while good piezochromism is observed in another polymorph with infinite pi-pi stacking of carbazole motifs.
Article
Chemistry, Multidisciplinary
Sarune Daskeviciute-Geguziene, Yi Zhang, Kasparas Rakstys, Gediminas Kreiza, Sher Bahadar Khan, Hiroyuki Kanda, Sanghyun Paek, Maryte Daskeviciene, Egidijus Kamarauskas, Vygintas Jankauskas, Abdullah M. Asiri, Vytautas Getautis, Mohammad Khaja Nazeeruddin
Summary: Cyclobutane-based hole-selective materials were successfully synthesized using simple and green-chemistry inspired protocols, reducing costs and adverse environmental impact in perovskite solar cell applications. These materials resulted in impressive efficiency and stability in PSCs, with modules achieving record efficiency over 19% in an active area of 30.24 cm².
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Physical
Wenhong Peng, Yuanbao Lin, Sang Young Jeong, Zewdneh Genene, Artiom Magomedov, Han Young Woo, Cailing Chen, Wandi Wahyudi, Qiang Tao, Jiyong Deng, Yu Han, Vytautas Getautis, Weiguo Zhu, Thomas D. Anthopoulos, Ergang Wang
Summary: Ternary blending and random terpolymerization strategies have been proven effective for enhancing the performance of organic solar cells, with the construction of a new terpolymer PM6-Si30 showing improved efficiency in OSCs through improved charge transport and molecular arrangement.
Article
Energy & Fuels
Suer Zhou, Maryte Daskeviciene, Matas Steponaitis, Giedre Bubniene, Vygintas Jankauskas, Kelly Schutt, Philippe Holzhey, Ashley R. Marshall, Pietro Caprioglio, Grey Christoforo, James M. Ball, Tadas Malinauskas, Vytautas Getautis, Henry J. Snaith
Summary: New carbazole-based enamine molecules can substitute high-cost bespoke chemicals in perovskite solar cells, improving efficiency and stability. These new hole conductors do not require chemical oxidation, reducing material costs and potentially reducing the manufacturing costs of future photovoltaic modules compared to traditional products.
Article
Energy & Fuels
Aiste Jegorove, Minh Anh Truong, Richard Murdey, Maryte Daskeviciene, Tadas Malinauskas, Kristina Kantminiene, Vygintas Jankauskas, Vytautas Getautis, Atsushi Wakamiya
Summary: Five new star-shaped carbazole-based molecules were successfully synthesized as hole transporting materials in perovskite solar cells to replace spiro-OMeTAD. These molecules exhibited comparable power conversion efficiencies to spiro-OMeTAD, with two candidate molecules showing superior thermal stability due to ethyl side chains.
Article
Biochemistry & Molecular Biology
Jonas Kilian, Marlon Millard, Marius Ozenil, Dominik Krause, Khadija Ghaderi, Wolfgang Holzer, Ernst Urban, Helmut Spreitzer, Wolfgang Wadsak, Marcus Hacker, Thierry Langer, Verena Pichler
Summary: The muscarinic acetylcholine receptor family is a highly sought-after target for neurological disorders. Despite previous failures to develop subtype-selective ligands, this study successfully synthesized a series of arecaidine-derived ligands with potential blood-brain barrier permeability and determined their binding affinities towards each of the individual human mAChR subtypes. The most promising compound of this series showed high selectivity towards hM(1) and acted as an antagonist. Overall, this study expands our understanding of the structure-activity relationship and provides guidance for the development of highly selective mAChR ligands.
Article
Biochemistry & Molecular Biology
Arminas Urbonavicius, Graziana Fortunato, Emilija Ambrazaityte, Elena Plytninkiene, Aurimas Bieliauskas, Vaida Milisiunaite, Renzo Luisi, Egle Arbaciauskiene, Sonata Krikstolaityte, Algirdas Sackus
Summary: An efficient synthetic route to diverse pyrazole-based chalcones from 1-phenyl-1H-pyrazol-3-ols with a formyl or acetyl group at the C4 position is described. Isomeric chalcones were further reacted to form 3,5-disubstituted 1,2-oxazoles via regioselective reaction with N-hydroxy-4-toluenesulfonamide. The novel compounds were characterized by in-depth NMR spectroscopy analysis.
Article
Chemistry, Multidisciplinary
Sarune Daskeviciute-Geguziene, Yi Zhang, Kasparas Rakstys, Chuanxiao Xiao, Jianxing Xia, Zhiheng Qiu, Maryte Daskeviciene, Tomas Paskevicius, Vygintas Jankauskas, Abdullah M. Asiri, Vytautas Getautis, Mohammad Khaja Nazeeruddin
Summary: In this study, a series of donor-acceptor-donor (D-A-D) type small molecules based on fluorene and diphenylethenyl enamine units were developed as hole transporting materials (HTMs) for perovskite solar cells. The incorporation of malononitrile acceptor units not only improved carrier transportation efficiency but also passivated defects through Pb-N interactions. The HTM V1359 achieved a higher power conversion efficiency of over 22% compared to spiro-OMeTAD under the same conditions, demonstrating that HTMs prepared via simplified synthetic routes are not only a cost-effective alternative to spiro-OMeTAD but also exhibit superior efficiency and stability than materials obtained through expensive cross-coupling methods.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Yuanbao Lin, Yadong Zhang, Artiom Magomedov, Eleftheria Gkogkosi, Junxiang Zhang, Xiaopeng Zheng, Abdulrahman El-Labban, Stephen Barlow, Vytautas Getautis, Ergang Wang, Leonidas Tsetseris, Seth R. Marder, Iain McCulloch, Thomas D. D. Anthopoulos
Summary: The incorporation of Br-2PACz/MoO3 in inverted OPVs enhances the performance of the cells and improves their operational stability.
MATERIALS HORIZONS
(2023)
Article
Chemistry, Physical
Amran Al-Ashouri, Mantas Marcinskas, Ernestas Kasparavicius, Tadas Malinauskas, Axel Palmstrom, Vytautas Getautis, Steve Albrecht, Michael D. McGehee, Artiom Magomedov
Summary: The wettability issue of the Me-4PACz hole-selective monolayer is resolved by adding a second component to the precursor solution. This not only improves the device yield but also maintains similar performance.
ACS ENERGY LETTERS
(2023)
Article
Biochemistry & Molecular Biology
Arminas Urbonavicius, Sonata Krikstolaityte, Aurimas Bieliauskas, Vytas Martynaitis, Joana Solovjova, Asta Zukauskaite, Egle Arbaciauskiene, Algirdas Sackus
Summary: This paper describes an efficient synthetic route from pyrazole-chalcones to novel 6-aryl-5-hydroxy-2-phenylpyrano[2,3-c]pyrazol-4(2H)-ones. The excited-state intramolecular proton transfer (ESIPT) reaction and fluorescence phenomena were observed.
Article
Chemistry, Multidisciplinary
Deimante Vaitukaityte, Artiom Magomedov, Kasparas Rakstys, Simon Kwiatkowski, Egidijus Kamarauskas, Vygintas Jankauskas, Jolanta Rousseau, Vytautas Getautis
Summary: Perovskite solar cells are a promising photovoltaic technology that may soon be available commercially. However, unresolved issues surrounding their lifetime and fabrication cost hinder their competitiveness with existing technologies. To address this, we have developed small organic molecules with vinyl groups as hole transporting materials that can undergo thermal polymerization, forming solvent-resistant 3D networks. These novel compounds, synthesized from inexpensive starting materials, offer a potential alternative to reduce the manufacturing cost of perovskite solar cells by simplifying the purification process.
Article
Chemistry, Multidisciplinary
Karolina Dzedulionyte, Nina Fuxreiter, Ekaterina Schreiber-Brynzak, Asta Zukauskaite, Algirdas Sackus, Verena Pichler, Egle Arbaciauskiene
Summary: A library of pyrazole-based lamellarin O analogues was synthesized via modification of easily accessible 3(5)-aryl-1H-pyrazole-5(3)-carboxylates using bromination, N-alkylation, and Pd-catalysed Suzuki cross-coupling reactions. The synthesized compounds were evaluated for their physicochemical properties and cytotoxicity against colorectal cancer cell lines. The most active compounds exhibited cell proliferation inhibition in the low micromolar range and triggered cell death through G2/M-phase arrest.
Article
Chemistry, Organic
Inesa Zagorskyte, Aurimas Bieliauskas, Milda Pukalskiene, Patrick Rollin, Egle Arbaciauskiene, Algirdas Sackus
Summary: In this study, glycerol-1,2-carbonate was used as a convenient reagent for synthesizing complex pyrazole-containing heterocyclic systems. The process involved alkylation of NH-pyrazolecarboxylates using 3-O-Tosylated glycerol-1,2-carbonate (TGC), subsequent treatment of N-glycerylated pyrazoles with various nucleophiles for ring cleavage, and hydrolysis and treatment with p-toluenesulfonic acid to yield 6-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]ox-azin-4-ones.
JOURNAL OF HETEROCYCLIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Sarune Daskeviciute-Geguziene, Artiom Magomedov, Maryte Daskeviciene, Kristijonas Genevicius, Nerijus Nekrasas, Vygintas Jankauskas, Kristina Kantminiene, Michael D. McGehee, Vytautas Getautis
Summary: In this study, Carbazole-based molecules V1205 and V1206 were synthesized and utilized as hole-transporting materials in inverted perovskite solar cells. The newly developed HTMs were thermally polymerized to form films resistant to organic solvents. A PSC with V1205 achieved a photovoltaic conversion efficiency of 16.9% and exhibited good stability.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Nimish Juneja, Sreekanth Mandati, Atanas Katerski, Nicolae Spalatu, Sarune Daskeviciute-Geguziene, Aivars Vembris, Smagul Karazhanov, Vytautas Getautis, Malle Krunks, Ilona Oja Acik
Summary: The application of Sb2S3 solar cells is limited by their low power conversion efficiency and the use of expensive hole transport materials. By using V1236 as a novel HTM instead of P3HT, the efficiency and transparency of solar cells can be improved.
SUSTAINABLE ENERGY & FUELS
(2022)
Article
Materials Science, Multidisciplinary
Katerina Skopalova, Itana Nusa Bubanja, Dragomir Stanisavljev, Nikola Cvjeticanin, Vera Kasparkova, Eliska Dad'ova, Erika Pavlikova, Marek Koutny, Marija Gizdavic-Nikolaidis, Petr Humpolicek
Summary: This study compares the biological properties of PANI prepared by different synthesis methods and oxidizing agents, which improves its potential applications in the biomedical field.
Article
Materials Science, Multidisciplinary
Hui-Ping Li, Cai-Yan Gao, Zhi-Ping Chen, Xin-Heng Fan, Lian-Ming Yang
Summary: In this study, a novel type of D-A non-fused-ring copolymers was designed and synthesized to overcome the trade-off relationship between electrical conductivity and Seebeck coefficient in organic semiconductors. The incorporation of fluorine atoms into the polymer backbone effectively increased the ordered degree of molecular stacking and improved both the electrical conductivity and Seebeck coefficient. The bimodal orientation of polymers played a crucial role in decoupling the correlation between electrical conductivity and Seebeck coefficient.
Article
Materials Science, Multidisciplinary
Mansour A. S. Salem, Amjad Mumtaz Khan, Hatem A. M. Saleh, Khalil M. A. Qasem, Mizna Ahmed, Aadil Shafi Bhat, Abdulaziz Abdullah Qasem Ali, Younes S. A. Ghanem, Ali Alrabie, Abdel-Basit Al-Odayni, Waseem Sharaf Saeed, Basheer Al-Anesi
Summary: This research focuses on the versatile substance, polyaniline/layered double hydroxide (PANI@Nd-Co/LDH), under solvothermal conditions. A thorough analysis of its structure and morphology was conducted using various analytical methods. The findings showed that PANI@Nd-Co/LDH exhibited highly sensitive and specific fluorescence detection of Pb(II) and Al(III), outperforming other heavy metal ions. The sensor demonstrated a turn-off fluorescence response for Pb(II) ions and a turn-on fluorescence response for Al(III) ions. The minimum detectable limits (MDL) were determined to be 9.6 nM for Pb(II) and 220 nM for Al(III). PANI@Nd-Co/LDH could be easily regenerated and reused for multiple cycles. The detection mechanisms involved the inner filter effect (IFE) for Pb(II) and the chelation-enhanced fluorescence (CHEF) effect for Al(III). These results highlight the excellent potential of PANI@Nd-Co/LDH in the detection and recognition of Pb(II) and Al(III) ions.
