Article
Agronomy
Vyacheslav Polyakov, Alexey Lupachev, Stanislav Gubin, Evgeny Abakumov
Summary: The study aimed to evaluate the genesis and alteration of soil organic matter under the influence of tidal processes in coastal permafrost-affected soils, as well as to obtain previously unknown characteristics of the structural and elemental composition of different fractions of organic matter. It was found that humic acids extracted from the studied marsh soils accumulated up to 50% C and 4% N, and active processes of dehydrogenation were noted in the humic acids molecules, indicating a relatively low degree of aliphatic structure development.
Article
Plant Sciences
Qi Wang, Yingxue Zhu, Lianzhou Xu, Baiyang Chen, Chunzhu Liu, Xianfa Ma, Qingfeng Meng, Bing Liu, Zongwei Huang, Yusheng Jiao, Ye Yuan
Summary: Biochar addition has a positive effect on soil organic carbon (SOC) content and soil quality improvement. However, the mechanisms and structural changes of soil humic substances under different types of biochar addition are poorly understood. This study compared the effects of rice husk, corn stalk, and tobacco stalk biochar on humus composition and humic acid (HA) structure in Northeast China. Results showed that corn stalk biochar significantly increased the fulvic acid (FA) content and simplified the HA structure, while tobacco stalk biochar was superior in soil carbon sequestration.
JOURNAL OF SOIL SCIENCE AND PLANT NUTRITION
(2023)
Article
Environmental Sciences
Sriharan Raguraj, Susilawati Kasim, Noraini Md Jaafar, Muhamad Hazim Nazli, Rathnasekara Kuruppu Arachchige Amali
Summary: There is a growing demand for humic substances, but coal-related resources, from which humic substances are extracted, are in short supply. Consequently, there is an interest in producing humic-like substances from lignocellulosic waste materials. In this study, tea waste was used to extract humic fractions, including purified humic-like acid and unpurified humic and fulvic acids. Comparative analyses were performed between these tea waste derived humic-like substances (TWDHLS) and commercially available humic acid (CHA) extracted from lignite. The results showed slight differences in elemental composition and FTIR properties, while NMR results indicated similar carbon distribution. TWDHLS exhibited a more recalcitrant nature due to the presence of stable compounds. The biological activity of TWDHLS was found to be comparable to that of CHA. These findings suggest that TWDHLS could be a potential plant biostimulant and a better substitute for humic substances.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2022)
Article
Chemistry, Multidisciplinary
Matthew Kollman, Xiao Jiang, Samuel J. Thompson, Ofei Mante, David C. Dayton, Hou-min Chang, Hasan Jameel
Summary: The amino alkylation of kraft lignins using the Mannich reaction is a versatile technique that can be used for analytical derivatization, improving hydrophilicity, or enhancing metal ion adsorptive capacity. This study utilized a quantitative technique combining 2D HSQC NMR and C-13 NMR spectroscopy to directly examine the structure of aminated lignins. The results indicated that low molecular weight lignins had a higher degree of amine substitution compared to high molecular weight fractions, with no significant impact observed from pH levels or different amine species.
Article
Agronomy
Evgeny Lodygin, Roman Vasilevich, Evgeny Abakumov
Summary: This paper examines the molecular composition of peat and humic substances in permafrost hummock peatlands in the forest tundra zone of northeastern Russia. The study finds that the structure and function of humic and fulvic acids are influenced by cryogenic processes, species composition, and the degree of peat decomposition. The predominance of humic acids and their low acidity make humic substances-based preparations highly promising for use as organic fertilizers.
Article
Agronomy
Evgeny Lodygin, Evgeny Abakumov
Summary: This study compared the molecular composition of humic acids and fulvic acids in different types of soils, revealing that soil reclamation significantly increases the proportion of aromatic components while decreasing carboxyl and ester groups in the humic substance structure. Additionally, greater hydromorphism in the soils enriches humic substances with aliphatic fragments.
Article
Biochemistry & Molecular Biology
Wolfgang Robien
Summary: This study systematically investigates the quality of experimental C-13-NMR spectra published in the journal Molecules from 1996 to 2015 using CSEARCH technology. The results show that using the CSEARCH-Robot-Referee during peer review can prevent trivial assignment errors and wrong structure proposals. Comparison of key numbers with other journals in natural product chemistry indicates a similar level of quality among publishers.
Article
Polymer Science
Olga Klein, Natalia A. Kulikova, Andrey Konstantinov, Maria Zykova, Irina Perminova
Summary: Humic substances are natural supramolecular systems that have distinct immunomodulatory and protective properties, with their key beneficial biological activity being their antioxidant activity. The antioxidant capacity of these substances depends on both phenolic and non-phenolic moieties in their structure, including carbohydrate fragments.
Article
Environmental Sciences
Alessandro Piccolo, Cesar Garcia-Diaz, Vincenza Cozzolino, Marios Drosos, Antonio Scopa, Massimiliano Valentini
Summary: An O-alkylation reaction using tetrabutylammonium hydroxide (TBAH) as a phase-transfer agent was employed to modify the hydrophobic properties of humic acid (HA). The carboxyl and hydroxyl functional groups of HA acted as nucleophiles in substitution reactions with alkyl halides. The findings indicate that the hydrophobicity of humic substances can be modulated through a mild O-alkylation reaction, and this structural modification may have various chemical, environmental, and biological applications.
Article
Chemistry, Physical
Lin Qian, Chao Tao, Chao Ma, Jinkai Xue, Feiqiang Guo, Xiaopeng Jia, Weijie Yan
Summary: The molecular structure of Zhundong coal (ZD) was characterized by physical detection techniques, and the complex structure was confirmed through various analyses, providing a reference for understanding the structural characteristics of ZD coal and helping to understand its reactivity.
JOURNAL OF MOLECULAR STRUCTURE
(2022)
Article
Multidisciplinary Sciences
Jeewan Gamage, Paul Voroney, Adam Gillespie, Andy Lo, James Longstaffe
Summary: The presence of fused aromatic ring (FAR) structures in soil determines the stability of recalcitrant soil organic matter (RSOM). FAR, important features in RSOM, contribute to its prolonged residence time. Molecular level characterization of RSOM extracted from an organic soil profile provides insights into the formation of FAR. Advanced solid-state C-13 nuclear magnetic resonance (NMR) spectroscopy on extracted humic acids (HA) reveals diagenetically formed FAR that differ from charcoal and lignin. The prevalence of FAR is observed in all soil depths, with a higher occurrence in the clay soil layer at the bottom. These findings enhance our understanding of the humification process in early diagenesis and elucidate the significance of diagenesis in long-term carbon sequestration in soil.
SCIENTIFIC REPORTS
(2023)
Article
Agronomy
Vyacheslav Polyakov, Evgeny Abakumov, Evgeny Lodygin, Roman Vasilevich, Alla Lapidus
Summary: The accumulation of low-molecular-weight humic acid fractions in the soil of boreal forests indicates the process of organic matter stabilization, which is correlated with the increase in aromaticity. The content of aromatic compounds and carboxyl structural fragments are important factors contributing to the resistance of the soil organic matter to biodegradation in Chernevaya taiga.
Article
Environmental Sciences
Justyna Michalska, Jolanta Turek-Szytow, Agnieszka Dudlo, Katarzyna Kowalska, Joanna Surmacz-Gorska
Summary: Although humic substances (HSs) are valuable in the environment, they can be nuisances for wastewater treatment plants (WWTPs). This study evaluated analytical methods for determining the structure, properties, and utilization of HSs from WWTPs. UV-Vis spectroscopy was found to be a cost-effective method for preliminary characterization, while X-EDS and FTIR were recommended for in-depth analysis due to their ability to detect heavy metals and biogenic elements. Certain absorbance coefficients and fluorescence capacities were identified as useful indicators.
SCIENCE OF THE TOTAL ENVIRONMENT
(2023)
Article
Agricultural Engineering
Weiwu Wang, Yi Hou, Wenfeng Huang, Xiaoming Liu, Ping Wen, Yueqiang Wang, Zhen Yu, Shungui Zhou
Summary: The study found that adding AL and SLS in paper mill sludge composting significantly increased the content and degree of polymerization of humic substances, which was attributed to their promotion of low molecular weight lignin depolymerized products and acceleration of the transformation of quinone-like substances.
BIORESOURCE TECHNOLOGY
(2021)
Article
Polymer Science
Tingting Yang, Yuanbo Gao, Xueli Wang, Bomou Ma, Yong He
Summary: The study successfully prepared PA56 films with gamma form and alpha-like form crystalline phases, and systematically studied their hydrogen bond and crystalline structure through solid-state 13C NMR, variable temperature-FTIR, and dynamic oscillatory rheological tests.
Article
Biophysics
Michal Dolezal, Richard Hrabal, Tomas Ruml, Michaela Rumlova
BIOMOLECULAR NMR ASSIGNMENTS
(2015)
Article
Biochemistry & Molecular Biology
Tomas Kroupa, Hana Langerova, Michal Dolezal, Jan Prchal, Vojtech Spiwok, Eric Hunter, Michaela Rumlova, Richard Hrabal, Tomas Ruml
JOURNAL OF MOLECULAR BIOLOGY
(2016)
Article
Biochemistry & Molecular Biology
P. Junkova, J. Prchal, V. Spiwok, R. Pleskot, J. Kadlec, L. Krasny, R. Hynek, R. Hrabal, T. Ruml
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
(2016)
Article
Biochemistry & Molecular Biology
Daniel Rozbesky, Jana Krejzova, Karel Krenek, Jan Prchal, Richard Hrabal, Milan Kozisek, Lenka Weignerova, Michele Fiore, Pascal Dumy, Olivier Renaudet, Vladimir Kren
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2014)
Article
Biochemical Research Methods
Tomas Kroupa, Jan Prchal, Michal Dolezal, Tomas Ruml, Richard Hrabal
PROTEIN EXPRESSION AND PURIFICATION
(2014)
Article
Virology
Martin Obr, Romana Hadravova, Michal Dolezal, Ivana Krizova, Veronika Papouskov, Lukas Zidek, Richard Hrabal, Tomas Ruml, Michaela Rumlova
Review
Microbiology
Jan Prchal, Tomas Kroupa, Tomas Ruml, Richard Hrabal
FRONTIERS IN MICROBIOLOGY
(2014)
Article
Multidisciplinary Sciences
Alzbeta Dostalkova, Romana Hadravova, Filip Kaufman, Ivana Krizova, Krystof Skach, Martin Flegel, Richard Hrabal, Tomas Ruml, Michaela Rumlova
SCIENTIFIC REPORTS
(2019)
Article
Biochemistry & Molecular Biology
Alzbeta Dostalkova, Krystof Skach, Filip Kaufman, Ivana Krizova, Romana Hadravova, Martin Flegel, Tomas Ruml, Richard Hrabal, Michaela Rumlova
Article
Biochemistry & Molecular Biology
Filip Kaufman, Alzbeta Dostalkova, Lukas Pekarek, Tung Dinh Thanh, Marina Kapisheva, Romana Hadravova, Lucie Bednarova, Radim Novotny, Ivana Krizova, Jiri Cerny, Libor Grubhoffer, Tomas Ruml, Richard Hrabal, Michaela Rumlova
Article
Soil Science
Libor Mrnka, Ondrej Koukol, Richard Hrabal, Frantisek Novak
SOIL BIOLOGY & BIOCHEMISTRY
(2020)
Article
Virology
Ivana Krizova, Alzbeta Dostalkova, Edison Castro, Jan Prchal, Romana Hadravova, Filip Kaufman, Richard Hrabal, Tomas Ruml, Manuel Llano, Luis Echegoyen, Michaela Rumlova
Summary: Fullerene derivatives with hydrophilic substituents have been shown to exhibit various biological activities, including antiviral effects. Recent studies suggest that the anti-HIV activity of fullerene derivatives may not be solely attributed to their binding to HIV-1 protease, but could involve a novel mechanism related to viral genomic RNA packaging and HIV-1 cDNA synthesis, potentially affecting HIV-1 infectivity. Additionally, the oxidative activity and fluorescence quenching of fullerene derivatives might contribute to the diversity of reported anti-HIV-1 mechanisms.
Correction
Virology
Ivana Krizova, Alzbeta Dostalkova, Edison Castro, Jan Prchal, Romana Hadravova, Filip Kaufman, Richard Hrabal, Tomas Ruml, Manuel Llano, Luis Echegoyen, Michaela Rumlova
Article
Chemistry, Multidisciplinary
E. Sarka, R. Hrabal, J. Kolacek, P. Smrckova, Z. Bubnik
Article
Chemistry, Physical
Xinlei Chen, Shiyi Chen, Xuele Lin, Jingxuan Zhou, Xingjun Gao, Yaoqi Zhen, Xiaodan Ma, Shouwen Jin, Linfang Shi, Hui Liu, Daqi Wang
Summary: Nine mixed-ligand Cd2+ complexes with different geometric structures were synthesized and characterized. The complexes exhibit various coordination modes and form both intra- and intermolecular hydrogen bonds.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Rupali Mahajan, Abhishek Sharma, Bhagyashree Patra, Lijo Mani, Parul Grover, Sandeep Kumar, Santosh Kumar Guru, Gananadhamu Samanthula, Amol G. Dikundwar, Amit Asthana
Summary: This research article provides a comprehensive characterization and toxicological assessment of a photoisomeric impurity of the antianemic drug Roxadustat. The impurity has a distinct structure compared to the drug and its formation due to light exposure is a concern. Through various experiments, including single crystal XRD, physicochemical characterization, and in vitro cytotoxicity assays, the researchers confirmed the structure of the impurity, evaluated its conversion with Roxadustat, and assessed its toxicological activity. These findings contribute to the understanding of drug stability, safety, and formulation development.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Laila S. Alqarni, Azzah M. Alghamdi, Nuha Y. Elamin, A. Rajeh
Summary: The solution casting method was used to produce a new type of nanocomposites made of chitosan, gelatin, and co-doped ZnO nanoparticles. The addition of 3.5% co-doped ZnO nanoparticles improved the physicochemical characteristics and antimicrobial effects of the nanocomposites, indicating their significant potential in food packaging and energy storage.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Ruchi Gaur
Summary: The structure and intermolecular interactions of a newly synthesized bis-chalcone THXA were studied using experimental and computational methods. The importance of non-covalent interactions such as pi center dot center dot center dot pi, C-H center dot center dot center dot S, and C-H center dot center dot center dot pi was revealed.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Andrii Bazylevich, Leonid Patsenker, Sarit Aviel-Ronen, Gary Gellerman
Summary: Drug combination therapy is commonly used for treating various skin disorders, but its effectiveness is often limited. In this study, researchers synthesized conjugates of anti-pigmenting drugs and hyaluronic acid (HA) to improve treatment efficacy. These HA-drug conjugates exhibited measurable drug release profiles and demonstrated superior depigmentation effects compared to control groups in a swine model.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Xiaodan Ma, Xinlei Chen, Yaoqi Zhen, Xunjie Zheng, Chengzhe Shi, Shouwen Jin, Bin Liu, Bin Chen, Daqi Wang
Summary: Cocrystallization experiments between minoxidil and aryl acids coformers resulted in the successful formation of multi-component samples. The nature of these samples was determined using various techniques and their structural and supramolecular aspects were investigated. The outcomes revealed the importance of nonbonding contacts and different types of interactions in stabilizing and expanding the crystal structures.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Najla A. Alshaye, Magdy A. Ibrahim, Al-Shimaa Badran
Summary: The chemical behavior of 3-substituted-6,8-dimethylchromones towards phenylhydrazine was examined. Different reaction conditions produced various products, and the molecular geometries and reactivity descriptors of the compounds were also investigated. The results suggest that these compounds are suitable for nonlinear optical applications.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Hayette Alliouche, Houria Bouria, Rafik Bensegueni, Mounia Guergouri, Abdelmalek Bouraiou, Ali Belfaitah
Summary: In this paper, a combined experimental and theoretical study was conducted to synthesize and characterize new 2-quinolone-piperidine and -morpholine hybrids. The results from experiments were validated using computational calculations, and the affinity between these compounds and Acetylcholinesterase/Butyrylcholinesterase was estimated through molecular docking.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Wei-Min Chen, Juan-Juan Shao, Yi Zhang, Zhen-Dong Xue, Peng-Lai Liu, Jian-Ling Ni, Li-Zhuang Chen, Qiang Gao, Fang-Ming Wang
Summary: This study synthesized and characterized a novel Mn-based LMOF, and achieved good results in detecting heavy metal Al3+ in water, showing good stability, high selectivity and sensitivity. This provides new insights into the potential applications of Mn-based MOFs in chemical sensing.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Jun-Xia Li, Yi-Jing Lu, Ke-Ying Quan, Li-Bing Wu, Xun Feng, Wei-Zhou Wang
Summary: This study synthesized two cobalt(II) complexes and analyzed their crystal structures using single-crystal X-ray diffraction. The results showed that the crystal structures of these complexes were different, and they exhibited different crystal packing and magnetic properties.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Yang Li, Yan Zhang, Hong Xu, Min Li, Zhen Li, Zi-yu Song, Ji-shi Chen, Yan-Jun Liu, Yong Sun, Zhao Yang
Summary: This study reports the synthesis and solid-state characterization of a new pharmaceutical cocrystal, PRO-BPE, which can enhance the solubility of the highly water-insoluble prodrug probenecid. The PRO-BPE cocrystals were found to have superior water solubility compared to pure PRO. This research provides valuable insights into improving the solubility of poorly soluble drugs.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Lucas G. B. Felicio, Bianca B. M. Vieira, Ivana S. Lula, Renata Diniz, Frank Alexis, Flavio B. Miguz, Frederico B. De Sousa
Summary: A novel spiropyran derivative was synthesized for heavy metals sensing in water. The results demonstrated that the new derivative can serve as a rapid, sensitive, and simple tool for detecting Hg2+ ions in water with high selectivity.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Junqing Meng, Jie Wang, Lijuan Wang, Chunhui Lyu, Haiyan Chen, Yingpei Lyu, Baisheng Nie
Summary: Material modification with low surface energy can achieve lower surface free energy on micro-and nano-rough structures, which is crucial for developing superhydrophobic surfaces. In this study, attapulgite (APT) was modified with alkylamine, alkylammonium salt, and stearic acid, and the interaction between low surface materials and attapulgite was explained. The results showed that the hydrophobicity of APT was significantly modified by the modifiers, and the surface free energy of the composites first decreased and then increased with increasing molecular number of low surface energy monomers.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Karan Goswami, Dipak Das, Parthasarathi Bera, Sounak Roy, Md. Motin Seikh, Prasanta Kumar Sinha, Arup Gayen
Summary: This work presents the development of a simple and highly active heterogeneous Pd catalyst for Suzuki-Miyaura carbon-carbon cross-coupling reaction. The NiPdFe-1 catalyst shows the best activity and stability among the prepared catalysts. It efficiently promotes the coupling reaction between aryl bromide and phenyl boronic acid under mild reaction conditions with high isolated yields.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Ekta Pardhi, Devendra Singh Tomar, Rahul Khemchandani, Gananadhamu Samanthula, Pankaj Kumar Singh, Neelesh Kumar Mehra
Summary: The main aim of this study was to prepare a drug-drug coamorphous system to improve the physiochemical properties, solubility and stability of Apremilast and Indomethacin. Various solid-state characterization techniques were used to characterize the prepared system. Molecular level interactions were studied using molecular modeling and ATR-FTIR and 1H NMR. Solubility and dissolution studies showed the benefits of the coamorphous system. The system was found to be stable for a period of five months. Permeation study also demonstrated improved flux for both drugs compared to their crystalline forms. The coamorphous system showed anti-psoriatic and anti-melanogenic activity based on molecular docking results. Overall, the developed CAM-based supersaturated system exhibited improved physicochemical properties and physical stability.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
