Article
Chemistry, Multidisciplinary
Craig P. Yu, Naoya Kojima, Shohei Kumagai, Tadanori Kurosawa, Hiroyuki Ishii, Go Watanabe, Jun Takeya, Toshihiro Okamoto
Summary: By synthesizing BQQDI derivatives with different substituents, the researchers demonstrated distinct molecular assemblies and charge-transport capabilities for these two organic semiconductors.
COMMUNICATIONS CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Leandro C. Lopes, Tainara Orlando, Pedro H. B. Simoes, Fellipe F. S. Farias, Helio G. Bonacorso, Nilo Zanatta, Paulo R. S. Salbego, Marcos A. P. Martins
Summary: The study investigated the persistence of N-H···O.C interactions as driving interactions in the crystallization process using trisubstituted bis-ureas. The findings demonstrated the importance of N-H···O.C interactions in stabilizing the first crystallization nuclei, even with bulky substituents.
CRYSTAL GROWTH & DESIGN
(2021)
Article
Crystallography
Kazuya Kubo, Mamoru Sadahiro, Sonomi Arata, Norihisa Hoshino, Tomofumi Kadoya, Tomoyuki Akutagawa, Reizo Kato, Jun-ichi Yamada
Summary: New donor-type nickel-dithiolene complexes with bulky cycloalkane substituents were synthesized, showing unique molecular arrangements in crystals. Cation radical crystals obtained by electrochemical crystallization exhibited semiconducting behaviors, indicating conducting behaviors under hydrostatic pressure as well.
Article
Polymer Science
Ken Albrecht, Eri Hisamura, Minori Furukori, Yasuo Nakayama, Takuya Hosokai, Kohei Nakao, Hiroki Ikebe, Akira Nakayama
Summary: Carbazole dendrimers with bulky terminal substituents and a benzophenone core were synthesized and studied for their thermally activated delayed fluorescence (TADF) properties. The results showed that the choice of substituents directly affected the fluorescence emission and the triplet energy, which correlated with the TADF efficiency. Simple terminal modifications could minimize intermolecular interactions and tune the on-off behavior of TADF.
Article
Chemistry, Physical
Yanping Zhu, Jiejie Li, Yubin Chen, Jian Zou, Qingqing Cheng, Chi Chen, Weibo Hu, Liangliang Zou, Zhiqing Zou, Bo Yang, Hui Yang
Summary: In this study, a covalent triazine framework was designed to anchor Fe ions for the preparation of a FeN4-type precursor, which can switch from a 2e(-) to a 4e(-) ORR pathway through controlled pyrolysis. The XPS and XAS spectra confirmed the atomically dispersed FeN4 configuration in all samples before and after heat treatment, with a significant increase in nonplanarity at higher carbonization temperatures.
Article
Chemistry, Physical
Maxime Hodee, Julien Massue, Sylvain Achelle, Arnaud Fihey, Denis Tondelier, Gilles Ulrich, Francoise Robin-le Guen, Claudine Katan
Summary: This study investigates the absence of thermally activated delayed fluorescence (TADF) in styrylpyrimidines with bulky electron-donating substituents. The experimental and theoretical investigations reveal that efficient spin-orbit coupling between the energy states cannot be achieved, resulting in the lack of TADF.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Maria Pszona, Sylwester Gawinkowski, Regina Jaeger, Izabela Kaminska, Jacek Waluk
Summary: This study investigates the SERS detection limit of tert-butyl-substituted porphycene derivatives and finds that the ratio between SERS signal and fluorescence background is affected by the molecular structure. The probability of single molecule detection also decreases with the number of moieties attached to the pyrrole ring. These phenomena are attributed to steric hindrance caused by the spatial structure. Furthermore, the sensitivity of SERS technique can be improved by lowering the temperature.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Mario de la Hoz Tomas, Mao Yamaguchi, Boiko Cohen, Ichiro Hisaki, Abderrazzak Douhal
Summary: This study investigates the photochemical behavior of a new TPE derivative with bulky terphenyl groups in solvents of different viscosities and in a PMMA film. The photocyclization reactions are more efficient in environments of higher viscosities or rigidity. The results provide insights for improving the photo stability and properties of TPE-based materials.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Biochemistry & Molecular Biology
Kaho Kohori, Hiroki Hirayama, Kazuya Yamamoto, Jun-ichi Kadokawa
Summary: This study successfully synthesized a series of mixed chitin esters with long fatty and bulky acyl substituents in an ionic liquid, and characterized their structures and properties through various analytical methods.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2021)
Article
Chemistry, Multidisciplinary
Patrycja Koza, Tomasz Koczorowski, Dariusz T. Mlynarczyk, Tomasz Goslinski
Summary: The aim of this study was to synthesize new unsymmetrical sulfanyl zinc(II) porphyrazines and characterize their physicochemical and electrochemical properties, as well as conduct an initial acute toxicity assessment. The researchers successfully synthesized different zinc(II) porphyrazines with various substituents and characterized them using various analytical techniques. The results showed that these porphyrazines have potential for use in photodynamic therapy, as they demonstrated high singlet oxygen generation quantum yield values. Additionally, the new derivatives were tested for their acute toxicity using a Microtox bioluminescence assay.
APPLIED SCIENCES-BASEL
(2022)
Article
Chemistry, Multidisciplinary
Axel Olesund, Shima Ghasemi, Kasper Moth-Poulsen, Bo Albinsson
Summary: This study aims to investigate the role of specific types and numbers of substituents in naphthalene annihilator compounds in visible-ultraviolet (UV) triplet-triplet annihilation photochemical upconversion (TTA-UC) processes. The research shows that the type of substituent attached to the naphthalene core is crucial for its performance as an annihilator, and larger substituents can enhance the upconverting ability.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Applied
Fan Wang, Weiqi Wang, Yuqing Wang, Lili Zhang, Yoshio Okamoto, Jun Shen
Summary: Two novel cellulose and amylose derivatives with bulky tris(2-benzothienylformate) pendants were rapidly synthesized by one-step esterification. The fluorescence sensing performance of these derivatives, as well as other benzothienyl- or benzofuranyl-phenylcarbamates of cellulose and amylose, was carefully evaluated for the detection of Fe3+ ions. The derivatives exhibited high sensitivity and selectivity towards Fe3+ ions, and also demonstrated good reversibility and anti-interference ability in the presence of other metal ions.
CARBOHYDRATE POLYMERS
(2023)
Article
Chemistry, Multidisciplinary
Palas Roy, Andy S. Sardjan, Wojciech Danowski, Wesley R. Browne, Ben L. Feringa, Stephen R. Meech
Summary: In this study, a novel push-pull overcrowded alkene motor was synthesized and characterized by steady-state and ultrafast time-resolved electronic spectroscopy. It was found that tuning the charge transfer character in the excited state has a significant effect on the photoisomerization yield, providing new routes for precise control of motor efficiency.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Inorganic & Nuclear
Pelin Kaymak, Meng Yang, Zoltan Benko
Summary: In this computational study, the stability of phosphonyl radicals was investigated by calculating radical stabilisation energies. The results showed that the five-membered, fully unsaturated ring phosphonyl radical with a planar structure offered the most substantial electronic stabilisation. Further stabilisation was explored by embedding this ring into a more extended pi-system. Additionally, well-designed bulky substituents were found to enhance the stability of the phosphonyl radicals.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Multidisciplinary
Junichi Usuba, Masahiro Hayakawa, Shigehiro Yamaguchi, Aiko Fukazawa
Summary: DTPs represent a class of antiaromatic compounds with high thermal stability and red-shifted electronic absorption, attributed to narrower HOMO-LUMO gap compared to their analogs. They prefer offset face-to-face packing motifs in solid-state structure, and thienyl-substituted DTPs with hydrophilic side chains exhibit thermochromic behavior in polar solvents due to aggregate formation.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Physical
Hung Tan Pham, Cam-Tu Phan Dang, Long Van Duong, Phan Toai Tuyn, Minh Tho Nguyen
Summary: The geometries of doubly transition metal doped silicon clusters M(2)Sin were determined by DFT computations. It was found that the structures of M(2)Sin clusters change from tubular to cage-like and then fused cage-like with the increase of Si atoms. The fused cage structure of M2Si18 has a novel structural motif and the thermodynamic stability is attributed to the formation and filling of electron shells.
CHEMICAL PHYSICS LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Dinh Hieu Truong, Thi Chinh Ngo, Nguyen Thi Ai Nhung, Duong Tuan Quang, Thi Le Anh Nguyen, Dorra Khiri, Sonia Taamalli, Florent Louis, Abderrahman El Bakali, Duy Quang Dao
Summary: In this study, the direct and indirect antioxidant activities of rosmarinic acid (RA) were theoretically investigated. The results showed that RA acts primarily through hydrogen atom transfer mechanism and exhibits slightly higher antioxidant activity in the PEA phase compared to the water phase. Additionally, RA can chelate with Fe(iii) and Fe(ii) ions in the aqueous phase. However, it also has a pro-oxidant risk in the presence of superoxide anions.
Article
Biochemistry & Molecular Biology
Nguyen Minh Thuy, Vo Quoc Tien, Nguyen Ngoc Tuyen, Tran Ngoc Giau, Vo Quang Minh, Ngo Van Tai
Summary: In this study, the effects of different ingredients and processing parameters on the foam properties of mulberry powder were evaluated. The optimal values for foam expansion and stability were determined, and the influence of drying temperature on the quality of the powder was also noted.
Article
Plant Sciences
Nguyen Minh Thuy, La Bao Phung, Ngo Van Tai, Vo Quang Minh
Summary: In recent years, there has been increasing interest in the color and function of the Butterfly pea flower. However, preserving its extract has proven difficult, leading to the application of foam drying technology. This study investigated the effect of foaming conditions on the characteristics of the foam, and determined the most suitable conditions for the process. The research findings demonstrated that albumin ratio, carboxymethyl cellulose (CMC) ratio, and whipping time strongly influenced the foaming process, with the optimal conditions being 9.3% albumin, 0.79% CMC, and a stirring time of 19 minutes. The resulting foam-mat dried powder showed high quality and is suitable for various processing processes.
PLANT SCIENCE TODAY
(2023)
Article
Food Science & Technology
Nguyen Minh Thuy, Nguyen Thi Tieu Phung, Tran Ngoc Giau, Vo Quoc Tien, Ngo Van Tai, Vo Quang Minh
Summary: This study investigates the effects of adding Gac aril and xanthan gum on the quality characteristics of macaroni. The results show that adding 7% Gac aril and 1.5% xanthan gum can enhance the color, structure, and bioactive compounds (beta-carotene and lycopene) of macaroni.
ACTA SCIENTIARUM POLONORUM-TECHNOLOGIA ALIMENTARIA
(2023)
Article
Food Science & Technology
Tran Ngoc Giau, Nguyen Minh Thuy, Vo Quoc Tien, Ngo Van Tai
Summary: This study developed a low energy, alkaline food by partially replacing wheat flour with green banana flour and potato starch. The resulting waffles had low glycemic index (GI) and high nutritional value. The recipe used 12.5% green banana flour and 7.5% potato starch, and each waffle contained 305.6 kcal, 40.9 g carbohydrates, 9.2 g protein, 11.7g fat, and 1.43 g fiber. The estimated GI was 62.54, lower than a waffle made entirely of wheat flour (GI 76.38). Rating: 7 out of 10.
ACTA SCIENTIARUM POLONORUM-TECHNOLOGIA ALIMENTARIA
(2023)
Article
Chemistry, Multidisciplinary
Khuong Quoc Vo, Man Van Tran, Thu Anh Nguyen, Anh-Thi Tran Cao, Sy Van Vu, Kha Ni Tran, Nguyen Thanh Si, Vu-Nhat Pham
Summary: In this study, a nanosubstrate for trace determination of sulfathiazole (STZ) was prepared using surface-enhanced Raman scattering (SERS) technique. The nanosubstrate, composed of spinous gold nanoparticles (SGNPs) with long tips, showed high sensitivity and good reproducibility. It could detect STZ at low concentrations and had an excellent linear correlation between concentration and intensity. The nanosubstrate has potential applications in measuring various antibiotics.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Physical
Pham Vu Nhat, Nguyen Thanh Si, Andre Fielicke, Vitaly G. Kiselev, Minh Tho Nguyen
Summary: The geometry of the neutral Au-18 gold cluster was investigated using quantum chemical calculations and far-infrared multiple photon dissociation spectroscopy. Two potential isomers, derived from a star-like Au-17 structure, were identified to contribute to the experimental IR spectrum. The detection of a stable core-shell isomer in the Au-18 cluster is intriguing and has not been found before for small neutral gold clusters. The calculated IR spectra of both isomers agree well with the experimental FIR-MPD spectra.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Le Thi Tu Quyen, Vo Thi Kieu Nhu, Nguyen Ngoc Tri, Nguyen Tien Trung
Summary: In this study, quantum chemical calculations were used to investigate the strength, origin, and role of hydrogen bonds, as well as their cooperativity, in complexes of adenine with two formaldehyde molecules. The results showed that the stability of the complexes is mainly determined by N-H center dot center dot center dot O hydrogen bonds, while C-H center dot center dot center dot O/N contacts are blue-shifting hydrogen bonds.
VIETNAM JOURNAL OF CHEMISTRY
(2022)
Article
Chemistry, Organic
Thi Thu Tram Nguyen, Viet Dung Duong, Thi Ngoc Nga Pham, Quoc Thanh Duong, Thanh Binh Nguyen
Summary: The elemental sulfur-DMSO couple efficiently promotes the oxidative coupling of active methylhetarenes with amines to yield amides under simple heating conditions. Iron, nickel, and cobalt salts, as well as other substrates, can serve as efficient catalysts for this reaction.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2022)
Article
Chemistry, Physical
Fernando Buendia, Hung Tan Pham, Jose Enrique Barquera-Lozada, Marcela R. Beltran Sanchez, Minh Tho Nguyen
Summary: The formation and stability of the B-56 boron cluster was studied using a topological approach and the disk aromaticity model. The cluster's quasi-planar structure was confirmed as the most stable isomer, with high thermodynamic stability explained by pi delocalization. Another key finding is the cluster's larger pi delocalization at long distances compared to carbon clusters of similar sizes, with reversed trends at shorter distances.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Long Van Duong, Minh Tho Nguyen, Yohandys A Zulueta
Summary: Transport properties of halogeno-alkali oxides A(3)OX (A = Li, Na, X = Cl, Br) nanocrystalline samples with n-ary sumation 3(111) grain boundaries were investigated using large-scale molecular dynamic simulations. The results showed that these samples exhibited higher activation energies compared to theoretical studies, but closer to experiment. This improvement can be attributed to the higher atomic density at the n-ary sumation 3(111) grain boundary regions within the nanocrystals. Despite a slight deterioration of transport properties in mixed cation samples, these halogeno-alkali oxides can still serve as good inorganic solid electrolytes in both Li-ion and Na-ion batteries.
Article
Horticulture
Nguyen Minh Thuy, Vo Quoc Tien, Ngo Van Tai, Vo Quang Minh
Summary: This study investigated the use of foam-mat drying as a cost-effective alternative to traditional drying methods for manufacturing food powders. By optimizing the foaming conditions and comparing different mathematical models, the drying process of Magenta leaves extract was analyzed. The results showed that foam-mat drying at specific temperatures and with optimized foaming agents and stabilizers could yield a stable foam structure and improved drying efficiency.
Article
Chemistry, Multidisciplinary
Huu Tho Nguyen, Ngo Tuan Cuong, Ngo Thi Lan, Nguyen Thanh Tung, Minh Tho Nguyen, Nguyen Minh Tam
Summary: The theoretical study on the geometric and electronic structures, stability, and magnetic properties of Ge16M0/- clusters with 3d transition metal atoms revealed Ge16Sc and Ge16Ti as magic clusters with enhanced thermodynamic stability. Geometric distortions in clusters with more or less than 68 valence electrons can be explained by the Jahn-Teller effect. Moreover, some tetrahedral Ge16M are predicted to exhibit certain IR spectra.
Article
Chemistry, Multidisciplinary
Pham Vu Nhat, Nguyen Thanh Si, Vitaly G. Kiselev, Andre Fielicke, Hung Tan Pham, Minh Tho Nguyen
Summary: The study reveals that Au-17 gold cluster prefers two star-like isomers, one derived from a pentaprism with two extra Au atoms and the other with five Au atoms attached on each lateral face.
CHEMICAL COMMUNICATIONS
(2022)