Article
Chemistry, Multidisciplinary
Jacek Waluk
Summary: The fluorescence quantum yields of porphycenes can vary greatly due to factors such as hydrogen bonding strength, proton delocalization, and molecular distortion. By studying over 20 different substituted porphycenes, a strong correlation was found between fluorescence quantum yield and the distance between the H-bonded nitrogen atoms.
PURE AND APPLIED CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Muyuan Wang, Roseann K. Sachs, Stefan Andrew Harry, Eric Holt, Maxime A. Siegler, Thomas Lectka
Summary: In this study, we report an unusual bifurcated hydrogen bonding array between an OH donor and two C-F bond acceptors. This serendipitously discovered model system was observed in several substrates with various electron demands on the OH acceptor, and all exhibit a symmetrical C-OH-(F-C)2 hydrogen bonding interaction. We use NMR and IR spectroscopy, X-ray crystallography, and DFT theory to characterize this interesting and potentially biochemically relevant hydrogen bonding pattern.
JOURNAL OF FLUORINE CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Mohamed Alaasar, Christian Anders, Rami Pashameah, Ahmed F. Darweesh
Summary: The first examples of azopyridine-based hydrogen-bonded liquid crystals (HBLCs) with thioether tail were reported and their phase behavior and photo-switching properties were investigated. The hydrogen bond formation between the proton donor and acceptors was confirmed, and it was found that the HBLCs exhibited smectic A (SmA) and/or smectic C (SmC) phases depending on the length of the alkoxy chain and the presence or absence of a lateral fluorine atom.
Article
Chemistry, Multidisciplinary
Agnieszka Gajewska, Idaresit Mbakara, Jacek Waluk
Summary: Nitration of 2,7,12,17-tert-butylporphycene led to mainly 9-nitro and 9,20-nitro derivatives, with a small amount of beta-tert-butyl substitution. The fluorescence characteristics and tautomeric properties differ significantly between 2-nitroporphycene and meso-substituted derivative. Quantum-chemical calculations supported these findings. The ability to modulate photophysics and tautomerism by substituent positioning is important for designing porphycenes for specific applications.
JOURNAL OF PORPHYRINS AND PHTHALOCYANINES
(2023)
Article
Chemistry, Physical
Isa Sidir, Yadigar Gulseven Sidir, Halil Berber, Rui Fausto
Summary: The novel azo dye 2tona displayed solvatochromism in different solvents and showed thermo-and photochromic properties. The compound appears to be a versatile system sensitive to different types of intermolecular interactions with the solvent.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Review
Biochemistry & Molecular Biology
Poul Erik Hansen
Summary: This review provides a brief introduction to the techniques used for investigating isotope effects on NMR chemical shifts. It discusses the importance of isotope effects in elucidating intra- or intermolecular hydrogen bonding, ammonium ions in confined spaces, defining dimers, trimers, etc., and providing information about ion pairing. The review also explores the relationship between hydrogen bond energies and two-bond deuterium isotope effects on chemical shifts, as well as theoretical calculations for obtaining these effects.
Article
Chemistry, Applied
Feng He, Jinhui Chen, Zhiwei Gong, Qinqin Xu, Wang Yue, Haibo Xie
Summary: Economically competitive and sustainable levulinic acid-based protic ionic liquids were found to be effective solvents for the dissolution pretreatment of cellulose, enhancing enzymatic hydrolysis. The best performing solvent system, derived from DBN, achieved 94% glucose yield at 100 degrees C for 1 hour. This system was also suitable for lignocellulosic biomass pretreatment with corn stover, although requiring higher temperature and longer pretreatment time. Additionally, the solvent system could be recycled and reused.
CARBOHYDRATE POLYMERS
(2021)
Article
Chemistry, Multidisciplinary
Arkadiusz Listkowski, Natalia Masiera, Michal Kijak, Roman Luboradzki, Barbara Lesniewska, Jacek Waluk
Summary: The researchers analyzed the structural, spectroscopic, and photophysical data of six porphycenes and found a clear correlation between the strength of intramolecular NH....N hydrogen bonds and the efficiency of the nonradiative depopulation of the lowest-excited singlet state. They proposed a new model based on the delocalization of inner protons in the macrocycle cavity as responsible for nonradiative deactivation, which was confirmed by literature data for other alkyl- or aryl-substituted porphycenes.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Physical
Gaixia Zhang, Marie Colin, Xiaohua Yang, Shuhui Sun, Jean-Pol Dodelet, Marc Dubois
Summary: This paper investigates the gas/solid fluorination of various types of N-doped porous carbons, observing that the process affects the porosity of the materials, especially the micropores. A new N1s peak and a dual C-F bonding structure were identified in all fluorinated N-doped porous carbons.
APPLIED SURFACE SCIENCE
(2022)
Review
Biochemistry & Molecular Biology
Poul Erik Hansen
Summary: This review highlights methods for investigating the structure of natural products, focusing on intramolecular hydrogen bonding, tautomerism, and ionic structures using NMR techniques. It emphasizes the importance of these features for biological activity and drug research.
Article
Biochemistry & Molecular Biology
Lijuan Li, Bingdong Li, Liwei Feng, Xiaoqiu Zhang, Yuqian Zhang, Qiannan Zhao, Guifu Zuo, Xianguang Meng
Summary: The study developed an Au-modified F-TiO2 photocatalyst for efficient H2O2 production under ultraviolet light. The modification with fluorine and the presence of gold as a cocatalyst significantly enhanced the H2O2 synthesis rate, offering a simple and effective method for producing H2O2 through photocatalysis.
Article
Chemistry, Multidisciplinary
Hangchao Wang, Jin Song, Kun Zhang, Qiu Fang, Yuxuan Zuo, Tonghuan Yang, Yali Yang, Chuan Gao, Xuefeng Wang, Quanquan Pang, Dingguo Xia
Summary: This study presents a solid-state electrolyte based on polyglycol oxide with a wide electrochemical window, high ionic conductivity, and anti-dendritic growth properties, showing promising results for safe, high-energy, and long-life solid-state Li metal batteries.
ENERGY & ENVIRONMENTAL SCIENCE
(2022)
Article
Chemistry, Physical
Smruti Gupta, Kapil Ganorkar, Naina Sehra, Ajay Kumar, Sujit Kumar Ghosh
Summary: This study investigated the fluorescence properties of the potential anticancer drug candidate HTDQ in biological environment, revealing its sensitivity to solvent polarity and proticity, as well as the differences in solvation behavior and spectral characteristics in various solvents.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2022)
Article
Chemistry, Physical
Jinying Liu, Yu Zhao, Changli Zhao, Xiaoqiu Dou, Xiaoyu Ma, Shaokang Guan, Yu Jia, Chuanliang Feng
Summary: The study investigated the impact of H-bonding patterns on the chirality of supramolecular assemblies, by designing phenylalanine derivatives with different H-bonding groups. It was found that ester and amide groups can influence the stability and handedness direction of nanostructures.
Article
Chemistry, Physical
Niko Prasetyo, Fajar Inggit Pambudi
Summary: This study evaluated the structural properties and hydrogen adsorption energy of fluorinated metal-organic framework (MOF)-801 using density functional theory (DFT). The results showed that the introduction of F atoms enhanced the binding capacity of MOF-801.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Chemistry, Multidisciplinary
Arkadiusz Listkowski, Natalia Masiera, Michal Kijak, Roman Luboradzki, Barbara Lesniewska, Jacek Waluk
Summary: The researchers analyzed the structural, spectroscopic, and photophysical data of six porphycenes and found a clear correlation between the strength of intramolecular NH....N hydrogen bonds and the efficiency of the nonradiative depopulation of the lowest-excited singlet state. They proposed a new model based on the delocalization of inner protons in the macrocycle cavity as responsible for nonradiative deactivation, which was confirmed by literature data for other alkyl- or aryl-substituted porphycenes.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Analytical
Aleksandra Bednarz, Izabela Kaminska, Agnieszka Jamrozik, Karolina Zielonka, Arkadiusz Listkowski, Jacek Waluk
Summary: The study of single molecule photobleaching using confocal fluorescence microscopy reveals that substitution of porphycene with bulky tert-butyl groups enhances photostability, while the presence of oxygen around the molecule increases the efficiency of physical quenching of the chromophore triplet state. The distribution of photodegradation quantum yields suggests that physical and chemical quenching rates exhibit different distance and orientation dependences.
METHODS AND APPLICATIONS IN FLUORESCENCE
(2021)
Article
Chemistry, Analytical
A. Kelm, J. Ostapko, A. Gajewska, A. Sanchez-Iglesias, J. Waluk
Summary: Plasmonic nanostructures, particularly gold nanoparticles with localized surface plasmons, have been found to significantly alter electromagnetic fields, influencing the photophysics of molecules attached to their surface. By coating gold nanoparticles with silica and varying core size to tune LSP resonance energy, weak-coupling effects were observed in the experiment.
METHODS AND APPLICATIONS IN FLUORESCENCE
(2021)
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
Materials Science, Biomaterials
Jyoti, Renata Rybakiewicz-Sekita, Teresa Zolek, Dorota Maciejewska, Edyta Gilant, Katarzyna Bus-Kwasnik, Andrzej Kutner, Krzysztof R. Noworyta, Wlodzimierz Kutner
Summary: An electrochemical chemosensor for cilostazol determination was developed, showing high selectivity and sensitivity within a linear concentration range of 50 to 924 nM. The use of quantum-mechanical and molecular dynamics analysis in pre-polymerization complexes helped select the most appropriate monomer, and simulated models predicted the sensor's selectivity. The chemosensor was also effective in determining cilostazol and its metabolite in spiked human plasma, demonstrating good recovery rates and a low limit of detection.
JOURNAL OF MATERIALS CHEMISTRY B
(2022)
Article
Biochemistry & Molecular Biology
Piotr Hanczyc, Przemyslaw Slota, Czeslaw Radzewicz, Piotr Fita
Summary: Two-photon excitation combined with the effect of light amplification provides a sensitive method for detecting amyloids of different forms. This study demonstrates the detection of amyloid structures using two-photon excited amplified spontaneous emission in brain tissue infiltrated with various amyloid phantoms. The relatively simple extension of currently used emission-based optical spectroscopy techniques can provide key information on pathogenic amyloid structures in tissue.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY
(2022)
Article
Chemistry, Physical
Renata Rybakiewicz-Sekita, Petr Toman, Roman Ganczarczyk, Jakub Drapala, Przemyslaw Ledwon, Marzena Banasiewicz, Lukasz Skorka, Anna Matyjasiak, Malgorzata Zagorska, Adam Pron
Summary: This study synthesized five D-pi-A-pi-D compounds with different electron acceptors (TD, BTD, DPP, TZ, and NDI). By adjusting the solvent polarity, DTP-TD emitted yellow light, while DTP-BTD and DTP-DPP emitted near-infrared light. The electron affinities strongly depended on the nature of the acceptor, while the ionization potentials varied weakly. The experimental findings were supported by theoretical calculations and electrochromic behavior was observed in the polymers.
JOURNAL OF PHYSICAL CHEMISTRY B
(2022)
Article
Electrochemistry
Jyoti, Evgenia Dmitrieva, Teresa Zlolek, Dorota Maciejewska, Renata Rybakiewicz-Sekita, Wlodzimierz Kutner, Krzysztof R. Noworyta
Summary: This study investigates the electrochemical polymerization behavior of two carbazole derivatives, CNZ1 and CNZ2. The formation of thin poly(CNZ1) film and thick poly(CNZ2) film, as well as the difference in UV-vis-NIR absorption intensity and radical formation, suggests different behavior between the two monomers. The study combines spectroelectrochemistry, scanning electron microscopy, and quantum-chemistry calculations to shed light on the observed differences.
ELECTROCHIMICA ACTA
(2022)
Article
Chemistry, Multidisciplinary
Jacek Waluk
Summary: The fluorescence quantum yields of porphycenes can vary greatly due to factors such as hydrogen bonding strength, proton delocalization, and molecular distortion. By studying over 20 different substituted porphycenes, a strong correlation was found between fluorescence quantum yield and the distance between the H-bonded nitrogen atoms.
PURE AND APPLIED CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Roman Ganczarczyk, Renata Rybakiewicz-Sekita, Maciej Gryszel, Jakub Drapala, Malgorzata Zagorska, Eric Daniel Glowacki
Summary: Visible-light-driven semiconductor photoelectrodes utilizing organic polymeric photocathodes have been fabricated in this study. Different derivatives of poly(4,7-di(thiophen-2-yl)benzo[c][1,2,5]thiadiazole) (pThBTD) were employed and the monomer dithienobenzodithiazole was directly polymerized on an electrode via electropolymerization or iodine-vapor-assisted polymerization. The electropolymerization method resulted in better performing photocathodes with wide visible light absorption and suitable stability. The critical factors affecting oxygen reduction photocurrents, such as thickness, wettability, and pH, were evaluated. The organic photoelectrocatalyst showed high photocathodic oxygen reduction currents and photovoltages, with stable production of H2O2 over at least 8 h with high faradaic yield.
ADVANCED MATERIALS INTERFACES
(2023)
Article
Biochemistry & Molecular Biology
Sylwia M. Berus, Ariadna B. Nowicka, Julia Wieruszewska, Krzysztof Nicinski, Aneta A. Kowalska, Tomasz R. Szymborski, Izabela Drozdz, Maciej Borowiec, Jacek Waluk, Agnieszka Kaminska
Summary: This study used intrinsic surface-enhanced Raman spectroscopy (SERS) and chemometric analysis to establish the biochemical fingerprint of SARS-CoV-2 infected human fluids, such as saliva and nasopharyngeal swabs. The numerical methods PLS-DA and SVMC facilitated the identification of viral-specific molecules and molecular changes in the fluids. A reliable classification model was developed to differentiate negative and positive groups. The study also highlighted the role of neopterin as a biomarker for predicting COVID-19 infection.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Biochemistry & Molecular Biology
Barbara Golec, Joanna Buczynska, Krzysztof Nawara, Aleksander Gorski, Jacek Waluk
Summary: Comparison of photostability between degassed and aerated toluene solutions is investigated for 5,10,15,20-tetraphenylporphyrin, 5,10,15-tri(p-tolyl)porphyrin, and their zinc analogues. Degassed solutions show higher quantum yields of photodegradation but lower photodecomposition rates due to longer triplet lifetimes. Zinc porphyrins in degassed solutions form dehydrated zinc biladienones, which are relatively stable in toluene but readily demetallate in dichloromethane. Complexation with dimethylsulfoxide (DMSO) enhances photostability in both degassed and non-degassed solvents.
PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES
(2023)
Article
Chemistry, Physical
Idaresit Mbakara, Agnieszka Gajewska, Arkadiusz Listkowski, Michal Kijak, Krzysztof Nawara, Tatu Kumpulainen, Eric Vauthey, Jacek Waluk
Summary: In this study, the spectral, photophysical, and tautomeric properties of two derivatives of porphycene were characterized after substituting them with amino and nitro groups. The transitions in both tautomers were assigned using absorption, magnetic circular dichroism (MCD), and emission anisotropy measurements combined with quantum-chemical calculations. It was found that bulky t-butyl groups significantly decrease fluorescence intensity.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
Renata Rybakiewicz-Sekita, Maciej Gryszel, Gaurav Pathak, Roman Ganczarczyk, Mary Jocelyn Donahue, Eric Daniel Glowacki
Summary: The use of polyether side chains to introduce amphiphilicity to conducting polymers has been applied to the synthesis of glycolated PEDOT. G-PEDOT exhibits improved electrochemical switching and electrochromic properties compared to PEDOT, making it a functional alternative for use in bioelectronics and electrochemical devices.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
Article
Chemistry, Physical
Wassie Mersha Takele, Lukasz Piatkowski, Frank Wackenhut, Sylwester Gawinkowski, Alfred J. Meixner, Jacek Waluk
Summary: The study investigates the Raman scattering properties of different molecules under vibrational strong coupling conditions. While polariton states are observed in the IR transmission spectra, they are not detected in the Raman spectra. Results also suggest that changes in the Raman spectra are not necessarily caused by strong coupling, but by surface enhancement effects.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)