Article
Chemistry, Multidisciplinary
Michael Busch, Elisabet Ahlberg, Kari Laasonen
Summary: pKa values in non-aqueous solvents are crucial in chemistry, and our understanding of them is still limited. Using computational methods, we have established universal trends between solvents and found that the total charge of the molecule and the charge of the acidic group, combined with solvatochromic parameters, can predict pKa values with reasonable accuracy. We also observe that neutral acids are significantly influenced by solvent properties, while cationic acids are often independent of solvent choice.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Biochemistry & Molecular Biology
Artyom E. Paromov
Summary: This study investigates the condensation reaction between benzyl carbamate and glyoxal catalyzed by acid, revealing new processes and hindrances to the formation of the desired compounds. Various solvents and byproducts were identified, and the activating or deactivating abilities of specific solvents were observed.
Article
Chemistry, Inorganic & Nuclear
Dajana Isakov, Marie-Ann Schmid, Djawed Nauroozi, Sven Rau, Stefanie Tschierlei
Summary: This study demonstrates that the introduction of a methyl protecting group to the imidazole moiety of a ruthenium(II) complex can significantly prolong the lifetime of the dual emissive complex in protic solvents. The methyl group is able to stabilize the electronic structure, leading to enhanced stability towards electrochemical reduction of the complex.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Physical
Xiuyu Jin, Kangling Ma, Jishnudas Chakkamalayath, Janeala Morsby, Haifeng Gao
Summary: In this study, a controlled radical photocatalyzed polymerization was used to grow protective polymer brushes from the surface of CsPbBr3 perovskite nanocrystals (PNCs). The PNCs acted as both photocatalysts and substrates with tethered initiators, leading to the synthesis of polymers with defined molecular weights and low polydispersity. The core-shell structured CsPbBr3-polymer nanoparticles exhibited improved colloidal and optical stability, indicating the effective protection of PNCs by surface polymers. This surface photopolymerization technique provides a general method to incorporate different polymer compositions and structures on PNCs for surface functionalization and stabilization.
ACS ENERGY LETTERS
(2022)
Article
Chemistry, Physical
Daniil Itkis, Luigi Cavallo, Lada V. Yashina, Yury Minenkov
Summary: Using the cluster-continuum quasichemical theory, the Gibbs free energies for Li+ solvation in various solvents were calculated. A discrepancy of 14 kcal mol(-1) between the monomer and cluster thermodynamic cycles was attributed to inaccuracies in the solvation free energies of solvent clusters from certain continuum solvation models. Experimental-based solvation free energies yielded identical results for the monomer and cluster cycles, with the best agreement observed for the monomer scale. Further progress in the field depends on achieving consensus on experimental reference values and proper parameterization of continuum solvation models for all solute-solvent combinations.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Chaoying Tong, Guihan Cai, Yahui Yang, Tongtao Wang, Yangyu Yang, Yuxia Chen, Shuyun Shi, Linlin Wu, Ying Guo
Summary: A new metal-organic framework (MOF) with a unique ligand-ligand charge transfer mechanism has been successfully fabricated using a novel strategy. The MOF exhibits reversible solvatochromic behavior and hydrogen-bonding-induced quenching effect, enabling fast differentiation of solvents and sensitive detection of trace water in organic solvents. Furthermore, the MOF allows for real-time sensing of humidity in air with satisfying selectivity and reversibility.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Arseniy A. Otlyotov, Yury Minenkov
Summary: The performance of contemporary tight-binding semiempirical GFNn-xTB methods for the conformational energies of singly charged sodium clusters Na+(S)(n) (n = 4-8) with various solvents is compared against the reference method RI-MP2/CBS. The results show that the GFN1-xTB method is more stable and outperforms its successor, GFN2-xTB, in terms of average mean absolute errors and mean signed errors.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Rajib Moi, Kartik Maity, Kumar Biradha
Summary: The nature of solvent, pH, temperature, reactant stoichiometry, concentration of precursors, and counterions are crucial factors that influence the synthesis of MOFs. These parameters play a role in determining the formation of crystalline product and dictate the overall network dimension or topology.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Engineering, Chemical
Sasa Rajhard, Lucija Hladnik, Filipa A. Vicente, Stanko Srcic, Miha Grilc, Blaz Likozar
Summary: Flavonoids have garnered significant attention in recent years due to their health benefits, with the solubility of these compounds playing a crucial role in various applications. FTIR analysis can characterize functional groups of flavonoids and serve as a semi-quantitative method for solvent screening and compound solubility determination. HPLC is only necessary as a final step for the most promising solvents.
Article
Engineering, Chemical
Ana Jakob, Miha Grilc, Janvit Terzan, Blaz Likozar
Summary: The study reports the solubility and temperature dependence of bio-based levulinic acid (LA), furfural (FF), and hydroxymethylfurfural (HMF) using Fourier-transform infrared (FTIR) spectroscopy as the detection method. The data obtained are crucial for designing biorefinery processes and optimizing reaction yields through selective compound extraction.
Article
Chemistry, Physical
Emmanouil Veroutis, Steffen Merz, Rudiger-A. Eichel, Josef Granwehr
Summary: Choline-based electrolytes have been studied as low-cost and environmentally friendly alternatives for secondary zinc air batteries. Through NMR, viscosity, and density measurements in different solvents, it was found that in DMSO, a solvent-separated and solvent-shared ion pair configuration is formed, while in D2O, ion association effects are weaker. The study also showed that the extent of ion association in solvents like DMSO is not expected to significantly impact charge transport and hinder the performance of choline-based electrolytes.
Article
Polymer Science
Gang Yu, Qian Xu, Zhiyou Lei, Yanbing Lu, Weijian Xu, Ruoxi Wu
Summary: In this study, a series of polymers containing the photosensitive DNBC were developed by click polymerization, and used as negative photoresists to create micropatterns. The photochemical behaviors of DNBC were investigated, revealing the mechanism of its photochemical reaction, and demonstrating a method to develop multifunctional patterns with tunable properties through surface modification.
POLYMERS FOR ADVANCED TECHNOLOGIES
(2022)
Article
Chemistry, Physical
Juan Wang, Shuguang Li, Kang Li, Yakun Wang, Wentian Li
Summary: This study used quantum-chemical parameters to explain the electrostatic features of basicity and acidity in the nicorandil molecule. It was found that nicorandil exhibited better solubility in organic solvents compared to water, which can be attributed to the higher basicity of organic solvents, promoting interactions with the acidic groups of nicorandil.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Biochemical Research Methods
S. Jeyaram
Summary: The present work investigates the third-order nonlinear optical behavior of basic violet 3 dye in various solvents, showing that the polarity of the solvent significantly affects the optical properties of the dye sample. The dye exhibits self-defocusing nonlinearity and both saturable and reverse saturable absorption, with the potential for applications in photonics and optoelectronics.
JOURNAL OF FLUORESCENCE
(2021)
Article
Polymer Science
Wisarut Prawatvatchara, Somphote Angkanawiriyarak, Awiruth Klaisiri, Tool Sriamporn, Niyom Thamrongananskul
Summary: This investigation evaluated the effects of aprotic solvents on the surfaces of fiber-reinforced composite posts and found that pyridine showed the highest microtensile bond strength between the interfaces of composite cores and posts.
Article
Electrochemistry
Masato Tominaga, Shino Nakao, Makoto Takafuji, Eiichiro Takamura, Shin-ichiro Suye, Takenori Satomura
Summary: By immobilizing a thermostable blue multicopper oxidase from hyperthermophilic archaeon Pyrobaculum aerophilum onto a single-walled carbon nanotube electrode, high electrochemical catalytic activity was achieved. Results from electrochemical investigation and spectroscopic measurements suggested a structural transition around 40?C.
ELECTROCHEMISTRY COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Nao Nagatomo, Hisashi Oishi, Yutaka Kuwahara, Makoto Takafuji, Reiko Oda, Taisuke Hamada, Hirotaka Ihara
Summary: By using a chiral molecular gelation system with a carboxylic acid functional group, enantioselectivity was effectively induced by forming highly ordered aggregates with negatively charged surfaces for carboxyl groups to assemble in highly ordered states and attaching the cationic groups of the guest molecule to this surface through multiple interactions.
Article
Chemistry, Multidisciplinary
Naoki Kawamoto, Yongxing Hu, Yutaka Kuwahara, Hirotaka Ihara, Makoto Takafuji
Summary: Chiral glutamide-derived lipids were used to form self-assembled fibrous molecular gels for HPLC organic phases, with improved separation efficiency and high selectivity observed towards polycyclic aromatic hydrocarbons and phenol derivatives. The interactions between the elutes and the highly ordered functional groups on the molecular gel likely contribute to the enhanced separation abilities.
Article
Materials Science, Multidisciplinary
Yoshihito Kawamura, Kazuki Ougi, Shin-ichi Inoue, Takanori Kiguchi, Makoto Takafuji, Hirotaka Ihara, Donald S. Shih
Summary: High thermal conductivity, high strength, and non-flammability have been achieved concurrently for the first time in Mg-4.5Al-2.5Ca, Mg-5Al-3Ca, Mg-6Al-4Ca, and Mg-4Al-2Ca-0.03Be (at%) alloys, produced by hot extrusion of heat-treated cast alloys.
MATERIALS TRANSACTIONS
(2022)
Article
Chemistry, Multidisciplinary
Yutaka Kuwahara, Mio Ito, Tatsumi Iwamoto, Makoto Takafuji, Hirotaka Ihara, Naoya Ryu, Tomoyasu Mani
Summary: A chiral supramolecular assembly with redox-induced changes in its chiroptical properties was synthesized using viologen-modified glutamide. The assembly showed an orange-colored solution with a visible absorption band at around 470 nm and electronic circular dichroism signals. Chemical reduction resulted in a color change to blueish violet and a sign change of the CD signal. Oxidation could restore the chiroptical behavior of the assembly.
Article
Chemistry, Multidisciplinary
Ayumi Toyofuji, Nanami Hano, Yuya Yamaguchi, Takeshi Wakiya, Hirotaka Ihara, Makoto Takafuji
Summary: In this study, hybrid polymer microspheres with uniformly dispersed nanosilica were synthesized by an in-situ sol-gel reaction. It was found that silica nanoparticles smaller than 100 nm were formed inside the polymer matrix, resulting in a hydrophilic microsphere interior. Furthermore, chemical modification of the nanosilica inside the hybrid microspheres could control the functions inside the particles.
Article
Chemistry, Physical
Nanami Hano, Naoya Ryu, Shoji Nagaoka, Hirotaka Ihara, Makoto Takafuji
Summary: By immobilizing a single layer of inorganic nanoparticles on the surface of polymer microspheres, it is possible to absorb UV light and selectively reflect visible light, enhancing the reflectance of visible light.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2022)
Article
Chemistry, Physical
Shoji Nagaoka, Kyohei Yoshida, Yu Hirota, Yuji Komachi, Makoto Takafuji, Hirotaka Ihara
Summary: A novel surface protection method for anodic aluminum oxide (AAO) was developed using environmentally friendly pure organic materials in a one-pot, one-step reaction. Totally organic aromatic polymer spherical nanoparticles (SNPs) immobilized on the AAO surface provided high water repellency and anticorrosivity, as well as increased voltage withstand capability.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2022)
Article
Chemistry, Analytical
Pian Jin, Fucheng Zhu, Mi Jiang, Makoto Takafuji, Hirotaka Ihara, Lei Nie, Houmei Liu
Summary: This paper proposes a novel carbonized pi-conjugated polymer-coated porous silica adsorbent for efficient extraction of berberine alkaloids. The adsorption of berberine by SiO2@C-pi-CP conforms to the pseudo-second-order and Langmuir models. The developed SPE method based on SiO2@C-pi-CP achieves excellent results in terms of detection limit, linearity, and relative standard deviations.
Article
Chemistry, Physical
Nishat Anzum Kanak, Md. Shahruzzaman, Md. Sazedul Islam, Makoto Takafuji, Mohammed Mizanur Rahman, Sumaya F. Kabir
Summary: This study fabricates nanocomposites using electrospinning technique from PLA and n-HAp. The nanocomposite shows a hydrogen bond between nHAp and PLA. Degradation study indicates a faster degradation rate in phosphate buffer solution compared to water. Cytotoxicity analysis demonstrates the non-toxic and biocompatible nature of the nanocomposite. The nanocomposite also exhibits sustained drug release behavior at different pHs, making it a potential antibacterial drug carrier for dental and orthopedic applications.
Article
Chemistry, Multidisciplinary
Naoya Ryu, Yusei Yamamoto, Yutaka Okazaki, Nanami Hano, Yuki Iwamoto, Tomohiro Shirosaki, Shoji Nagaoka, Reiko Oda, Hirotaka Ihara, Makoto Takafuji
Summary: In this study, we achieved the chiral J-aggregation of carbocyanine dyes by utilizing lysine-derived amphiphile assemblies as scaffolds in water. The tight packing with some flexibility of the assembly promoted the formation of J-aggregates with strong chiroptical properties. Our findings emphasize the importance of molecular structure and packing in controlling the aggregation and properties of dyes.
CHEMICAL COMMUNICATIONS
(2023)
Article
Polymer Science
Samia Afrin, Shahruzzaman, Papia Haque, Sazedul Islam, Shafiul Hossain, Taslim Ur Rashid, Tanvir Ahmed, Makoto Takafuji, Mohammed Mizanur Rahman
Summary: A Semi Interpenetrating Polymer Network hydrogel loaded with gentamicin was prepared for studying its wound healing activity. The hydrogel, synthesized by combining cellulose nanocrystal and synthetic polymers, exhibited excellent biocompatibility and antimicrobial properties. In vitro and in vivo tests confirmed its ability to promote rapid wound healing without scar formation.
Article
Materials Science, Multidisciplinary
Naoya Ryu, Tomoyuki Harada, Yutaka Okazaki, Kyohei Yoshida, Tomohiro Shirosaki, Reiko Oda, Yutaka Kuwahara, Makoto Takafuji, Hirotaka Ihara, Shoji Nagaoka
Summary: The study demonstrates a co-assembling system that exhibits circularly polarized luminescence with a high dissymmetry factor and strong emission. This could potentially lead to the development of light-sensitive molecules with practical applications.
MATERIALS ADVANCES
(2022)
Article
Polymer Science
Zahid Hasan, Sadia Afroz, Khayrunnahar Nipa, M. S. Rahaman, S. M. M. Hasnine, Tanvir Ahmed, Salma Sultana, Makoto Takafuji, M. A. Alam
Summary: Starch/acrylic acid/sodium styrene sulfonate-based hydrogels prepared by gamma radiation exhibit porous structure, high water absorption capacity, and excellent dye adsorption performance, making them suitable for wastewater treatment applications.
POLYMER-PLASTICS TECHNOLOGY AND MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
M. Maria Rahman, Jannat Al Foisal, Hirotaka Ihara, Makoto Takafuji
Summary: A novel technology based on acrylamide hydrogels crosslinked with silica nanoparticles for the removal of dye pollutants from water was reported. The hydrogels showed high selectivity towards methylene blue dye and could be reused multiple times. The experimental results indicated favorable adsorption characteristics with potential for application in treating dilute effluents.
NEW JOURNAL OF CHEMISTRY
(2021)