Article
Materials Science, Multidisciplinary
Shibna Balakrishnan, Ranjana Venugopal, Aswathi Harikumar, Biswapriya Deb, Joshy Joseph
Summary: Triphenylamine derivatives, C-Sty2 and C-Sty3, are promising organic electrochromic materials with easy synthesis, low oxidation potentials, high charge-carrier mobilities, electrochemical stability, coloration efficiency, and tunability of EC properties. The hyper-cross-linked derivative C-Sty3 demonstrates enhanced coloration efficiency, optical contrast, and open-circuit memory compared to C-Sty2, highlighting the significance of highly branched conducting polymers in EC applications.
ACS APPLIED POLYMER MATERIALS
(2023)
Article
Chemistry, Physical
Ruiqin Wang, Xin Chen, Chengyu Wu, Jiayi Qi, Xin Jiang, Fei Wu, Xiaorui Liu
Summary: In this study, three HTMs molecules (CX1-CX3) were designed through methoxy management on the side chains. The results showed that methoxy management affects the molecular arrangements, intermolecular coupling strength, and hole transport capabilities. Among the three molecules, CX1 exhibited the highest performance, with a PCE of 22.13% higher than the other designed molecules. These findings highlight the importance of methoxy management in improving the photovoltaic performance of PSCs and the potential of molecular engineering in designing efficient HTMs.
APPLIED SURFACE SCIENCE
(2023)
Article
Polymer Science
Vera Cimrova, Drahomir Vyprachticky, Ales Ruzicka, Veronika Pokorna
Summary: This study investigates the photophysical, electrochemical, and electroluminescence (EL) properties of carbazole-fluorene conjugated copolymers with various substituents. The copolymers exhibit intense blue emission in dilute solutions, with the best performance observed in the copolymer with 2-ethylhexyl as the N-carbazole substituent. However, the copolymer with the iridium complex shows lower photoluminescence quantum yield.
Article
Chemistry, Inorganic & Nuclear
Yuji Mikata, Marin Tanaka, Saori Yasuda, Aya Tsuruta, Taeka Hagiwara, Hideo Konno, Takashi Matsuo
Summary: BQDMEN and its 6-methoxyquinoline derivative (6-MeOBQDMEN) are fluorescent sensors with minor response to Zn2+ and Cd2+. However, when three methoxy substituents are introduced at the 5,6,7-position of the quinoline rings, the fluorescent metal ion selectivity is reversed to favor Cd2+. This reversal of preference is also valid for 1,3-propanediamine derivatives. The dinuclear cadmium complex is suggested to be the key component for the fluorescent Cd2+ selectivity.
DALTON TRANSACTIONS
(2023)
Article
Engineering, Electrical & Electronic
Anuj Sharma, K. R. Justin Thomas, Kiran Kishore Kesavan, Iram Siddiqui, Mangey Ram Nagar, Jwo-Huei Jou
Summary: A series of carbazole-based structural isomers appended with phenanthroimidazole and/or cyano chromophores were designed and synthesized. The structure-property relationship of the bifunctionalized dyes was studied, showing how the position of the chromophoric connectivity to the core carbazole affects the physiochemical and electroluminescence properties of the isomeric dyes. The incorporation of phenylene spacer and cyano substitution resulted in specific changes in emission characteristics and led to greater thermal and morphological stability of the materials. The materials were successfully applied in OLED devices, displaying deep-blue electroluminescence with potential for efficient blue OLEDs.
ACS APPLIED ELECTRONIC MATERIALS
(2021)
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
Biochemistry & Molecular Biology
Ahmad Irfan, Abul Kalam, Abdullah G. G. Al-Sehemi, Mrigendra Dubey
Summary: A series of new donor-acceptor compounds (Comp1-4) derived from benzothiazole were synthesized and characterized to tune their multifunctional properties. The effects of electron-donating and electron-withdrawing groups on optoelectronic and charge transfer properties were studied, and the influence of solvent polarity on absorption spectra was investigated. Thin films of the compounds were prepared and evaluated for charge carrier mobility and other device parameters.
Article
Engineering, Electrical & Electronic
Simas Macionis, Dalius Gudeika, Dmytro Volyniuk, Malek Mahmoudi, Jurate Simokaitiene, Viktorija Andruleviciene, Murad Najafov, Rita Sadzeviciene, Sigitas Stoncius, Juozas V. Grazulevicius
Summary: The synthesis and optoelectronic properties of four thioxanthone derivatives with different electron-donating abilities are reported. These compounds form molecular glasses and exhibit different charge transport and luminescence properties, as well as various electroluminescence colors in organic-light-emitting diodes.
ACS APPLIED ELECTRONIC MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Anna M. Dabrowska, Agnieszka Adamczyk-Wozniak, Izabela D. Madura
Summary: In this study, new tavaborole derivatives were synthesized and their crystal structures were compared to investigate the effects of substitutions on the structure. The presence of a fluorine atom was found to reduce the molecular dipole moment and the hydrogen bond acceptor abilities of a ring oxygen atom, thereby affecting the structure of the main hydrogen-bonded motif.
Article
Chemistry, Organic
Yoshihiro Takeo, Junichiro Hirano, Norihito Fukui, Hiroshi Shinokubo
Summary: We investigated the chemical and physical properties of internally functionalized DBC derivatives. These molecules exhibit chiral double-helicene-like structures that are configurationally stable at ambient temperatures. The conformational change in the excited state is controlled by the internal substituents, thereby modulating the emission intensity. Notably, the DBC derivative with a methylenedioxy unit undergoes aromatization through elimination of the internal substituent upon photoexcitation, resulting in the formation of DBC.
Article
Spectroscopy
Przemyslaw Krawczyk, Slawomir Kula, Klaudia Seklecka, Krzysztof Z. Laczkowski
Summary: The study synthesized novel carbazole dyes and analyzed the effects of activating and deactivating substituents on the chemical and biological properties of the compounds, revealing significant influences on the spectral, electrochemical, nonlinear-optic, and biological properties of the derivatives. The research also looked into the potential use of these derivatives as fluorescent probes for in vivo and in vitro tests, with quantum-chemical calculations complementing the conducted experiments.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Chemistry, Applied
Chaoqiang Liao, Hanlun Wu, Yajie Fu, Hengmin Zhu, Hao Tang, Lingyun Wang, Derong Cao
Summary: This study investigates the impact of various substituents on the phenyl of pi-linkage of carbazole dyes on the performance of dye-sensitized solar cells. The research shows that the substituents can selectively tune the HOMO level and bandgap of the dyes, affecting their light harvesting ability and conversion efficiency. Additionally, the study reveals that the bridge of carbon atoms between the substituents and phenyl can decrease the short-circuit photocurrent and lower the overall performance of the dyes.
Article
Chemistry, Organic
Ryo Takishima, Yuji Nishii, Masahiro Miura
Summary: In this study, a series of axially chiral bibenzo[b]carbazole derivatives were successfully synthesized with circularly polarized luminescence (CPL) characteristics. These compounds exhibited CPL properties with large dissymmetry factors up to 2.81 x 10(-2) in the solid state, suggesting the formation of well-ordered aggregates.
Article
Chemistry, Multidisciplinary
Ewa Wagner-Wysiecka, Paulina Szulc, Elzbieta Luboch, Jaroslaw Chojnacki, Dominika Laskowska, Paulina Miklaszewska, Pawel Sowinski
Summary: This work characterizes the new products of photo- and thermal rearrangements of 19-membered azoxybenzocrown with phenyl substituents in benzene rings. The yields of the transformations depend on the solvent used. The structures of the new hydroxyazobenzocrowns and the 20-membered ester product were confirmed by X-ray diffraction analysis. The influence of metal cations on the tautomeric equilibrium of the hydroxyazobenzocrowns was investigated using H-1 NMR and UV-Vis spectroscopy.
Article
Chemistry, Physical
Jun-Yong Shin, Seung-Hwan Kim, Sunhee Lee, Yong Sup Lee, Won-Sik Han, Kang-Kyun Wang
Summary: The study found that introducing electron-withdrawing fluorine atoms into the PC moiety can significantly enhance singlet oxygen generation and promote intersystem crossing. Cyclic voltammetry experiments revealed a linear relationship between quenching rate constants and oxidation potentials, indicating that the substituent effect is a key factor governing the efficiency of photosensitizers in generating singlet oxygen.
CHEMICAL PHYSICS LETTERS
(2021)
Article
Chemistry, Applied
Malek Mahmoudi, Jonas Keruckas, Dmytro Volyniuk, Viktorija Andruleviciene, Rasa Keruckiene, Edgaras Narbutaitis, Yu-Chiang Chao, Martins Rutkis, Juozas V. Grazulevicius
Summary: Organic semiconductors were used for efficient and stable white OLEDs by synthesizing new compounds with desired properties, and spatial exciton allocation strategy was employed to enhance the external quantum efficiency of white TADF OLEDs.
Article
Chemistry, Applied
Uliana Tsiko, Oleksandr Bezvikonnyi, Dmytro Volyniuk, Boris F. Minaev, Jonas Keruckas, Monika Cekaviciute, Egle Jatautiene, Viktorija Andruleviciene, Asta Dabuliene, Juozas Vidas Grazulevicius
Summary: By combining benzanthrone, phenothiazine, and phenoxazine moieties, new materials with TADF properties in the deep-red/near-infrared region were successfully developed, as well as compounds suitable for oxygen sensing applications. Different substituents on the benzanthrone moiety were found to result in varying oxygen sensitivity, with one compound exhibiting good reversibility under oxygen isotope ratio influence.
Article
Chemistry, Physical
Aaditya Manjanath, Chou-Hsun Yang, Karl Kue, Chun- Wang, Gil C. Claudio, Chao-Ping Hsu
Summary: Singlet fission (SF) is a process where a singlet exciton is split into a pair of triplet excitons, which can enhance the efficiency of solar cells. In this study, we propose a new molecular design concept to enhance the coupling in well-stacked pi-conjugated molecule pairs by involving triplet states of different origins, such as those with nonbonding n orbitals. Our results demonstrate significant enhancement in the coupling and provide new insights for better SF materials.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2022)
Article
Chemistry, Physical
Shu-Hao Yeh, Weitao Yang, Chao-Ping Hsu
Summary: The article introduces an improved method for thermally assisted-occupation density functional theory (TAO-DFT), namely rTAO and rTAO-1. These methods can simulate systems with strong static correlation in a simpler and more efficient way, and can capture accurate static correlation profiles.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Pounraj Thanasekaran, Bo-Chao Lin, Anusha Valaboju, Chang-Feng Lan, Che-Hao Chang, Chung-Chou Lee, Jing-Yun Wu, Dibyendu Bhattacharya, Tien-Wen Tseng, Hsien-Ming Lee, Chao-Ping Hsu, Kuang-Lieh Lu
Summary: Two novel glove-shaped rhenium(I)-based metallacycle complexes were developed and studied for their opening and closure motion. The complexes exhibited abnormal emission spectra when excited, which were attributed to metal-ligand charge transfer and ligand-ligand charge transfer excitations. These findings provide important insights for the design of light-activated molecular catchers.
JOURNAL OF THE CHINESE CHEMICAL SOCIETY
(2022)
Article
Multidisciplinary Sciences
Keat Ying Chan, Ching-Cher Sanders Yan, Hsiao-Yuh Roan, Shao-Chun Hsu, Tzu-Lun Tseng, Chung-Der Hsiao, Chao-Ping Hsu, Chen-Hui Chen
Summary: This study reveals the mechanism of epithelial coverage expansion during animal development. Skin cells continue to divide even without DNA replication, causing a reduction in genome size. Manipulation of body surface growth affects the division of skin cells. This mode of cell proliferation may occur in contexts other than zebrafish skin expansion.
Article
Multidisciplinary Sciences
Erickson Fajiculay, Chao-Ping Hsu
Summary: In this study, a Python-based software was developed that supports symbolic, deterministic, and stochastic modeling, along with parameter estimation and SBML support. The software is reliable, well performing, and convenient to use, providing better availability and accessibility for studying kinetics and dynamics in biochemical systems.
Article
Materials Science, Multidisciplinary
Fang-Ju Lin, Yao-Jin Ke, Kai-Yuan Kuan, Chao-Ping Hsu, Yu-Tai Tao
Summary: Films of well-aligned linear diacetylenic acid were prepared and photopolymerized using the solution-shearing method. The direction of molecular alignment and polymer chains varied depending on the polarity of the solvent used during the shearing process. Transistors based on these films showed highly anisotropic field-effect mobilities, with the highest mobility obtained from films prepared from a hexane solution.
ACS APPLIED POLYMER MATERIALS
(2022)
Article
Agriculture, Multidisciplinary
Hsin-Ya Tsai, Ming-Yu Chen, Chen Hsu, Kai-Yuan Kuan, Chi-Fon Chang, Che-Wei Wang, Chao-Ping Hsu, Nan-Wei Su
Summary: This study revealed the bioconversion of luteolin by Bacillus subtilis BCRC 80517, resulting in the production of three water-soluble phosphate conjugates. It was found that luteolin disrupted bacterial membrane integrity, leading to incomplete conversion. Additionally, a spontaneous intramolecular transesterification of one of the derivatives was observed under acidic conditions.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2022)
Editorial Material
Chemistry, Physical
Chao-Ping Hsu, Leif Hammarstrom, Marshall D. Newton
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Erickson Fajiculay, Chao-Ping Hsu
Summary: Noise in biochemical networks is of importance in biological problems, and understanding noise dynamics through network structure analysis is desirable. This study developed a noise localization theory that identifies buffering structures and provides insights into noise flow under non-steady-state conditions.
Article
Chemistry, Multidisciplinary
Erickson Fajiculay, Chao-Ping Hsu
Summary: One of the primary interests in understanding biological systems is to study the interaction between noise and cellular regulation. This study explores steady-state perturbations of monomolecular closed systems and ways to estimate the response of noise as (co)variances. The findings provide potential applications in model discrimination, network-wide response scanning, and reconstruction.
JOURNAL OF THE CHINESE CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
Yi-Siang Wang, Chun- Wang, Chou-Hsun Yang, Chao-Ping Hsu
Summary: This work utilizes molecular dynamic simulations and machine-learning models to investigate dynamic disorder in the coupling of hole transfer. The results demonstrate that low-frequency modes dominate these dynamics, primarily resulting from intermolecular movements such as rotation and translation. Additionally, the coupling exhibits sub-Ohmic behavior in its spectral density character, with cut-off frequencies around 10(2) cm(-1).
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Keng-Fang Hsu, Shih-Po Su, Hsiu-Feng Lu, Ming-Ho Liu, Yuan Jay Chang, Yi-Jang Lee, Huihua Kenny Chiang, Chao-Ping Hsu, Chin-Wei Lu, Yang-Hsiang Chan
Summary: The study presents the design of NIR-II emissive semiconducting polymer dots (Pdots) incorporated with thermally activated delayed fluorescence (TADF) moieties, which exhibit emission maxima of 1064-1100 nm and fluorescence quantum yields of 0.40-1.58% in aqueous solutions. By conducting density-functional theory calculations, the researchers gain a better understanding of how the TADF units affect the molecular packing and resulting optical properties of Pdots. In vivo 3D bone imaging in mice demonstrates the promising applications of these Pdots.
Article
Plant Sciences
Ho-Wei Wu, Erickson Fajiculay, Jing-Fen Wu, Ching-Cher Sanders Yan, Chao-Ping Hsu, Shu-Hsing Wu
Summary: Upstream open reading frames (uORFs) are commonly found in eukaryotic messenger RNAs and can achieve low but precise protein production by repressing the translation efficiency of downstream coding sequences. These uORFs can buffer protein production levels in the plant circadian clock, contributing to its robust operation.