Article
Chemistry, Medicinal
Kazuhiko Hayashi, Yoshimi Ichimaru, Kirara Sugiura, Azusa Maeda, Yumi Harada, Yuki Kojima, Kanae Nakayama, Masanori Imai
Summary: The study found that lithium cations can accelerate the hydrolysis of esters with hydroxides, and the hydrolysis reaction still occurs in the THF layer. Comparing the different hydroxides, it was observed that the addition of lithium salt helps to promote the hydrolysis reaction.
CHEMICAL & PHARMACEUTICAL BULLETIN
(2021)
Article
Chemistry, Inorganic & Nuclear
Jun Shu, Jian Yue, Xin Qiu, Xiaoqiang Liu, Wang Ren, Qianli Li, Yulong Li, Bin Xu, Kaiming Zhang, Weidong Jiang
Summary: In this study, three transition metal binuclear complexes were synthesized and tested for their ability to cleave phosphate diesters, c-Myc oligonucleotides, and plasmid DNA. However, the tested complexes displayed low activity, mainly attributed to the lack of bimetallic cooperation due to a relatively larger metal-metal distance. Among the complexes, Co2LCl4 showed the highest activity in the hydrolysis reaction according to density function theory calculation. Only Cu2LCl4 exhibited catalytic activity for oxidative cleavage of substrates in this work, and the Cu2LCl4-mediated oxidative cleavage was significantly more efficient compared to hydrolytic cleavage.
INORGANIC CHEMISTRY FRONTIERS
(2021)
Article
Chemistry, Organic
Zhong-Bing Fang, Ru-Rong Yu, Fei-Yue Hao, Zheng-Neng Jin, Gu-Yue Liu, Guo-Liang Dai, Wu-Bing Yao, Jia-Shou Wu
Summary: An efficient and practical method for chemoselective on-water reduction of alpha-keto amide by Hantzsch ester without using any catalysts and additives was developed. It was found that the intramolecular hydrogen bond of alpha-keto amide was crucial for this transformation. Various alpha-hydroxy amides were prepared in high yields in an environmentally friendly manner.
TETRAHEDRON LETTERS
(2021)
Article
Engineering, Environmental
Abdenour Achour, Diana Bernin, Derek Creaser, Louise Olsson
Summary: The catalytic hydroconversion of Kraft and hydrolysis lignins was compared for the first time using an unsupported NiMoS-SBA catalyst in a batch reactor. The study investigated the effect of key reaction parameters on product yields and properties. The results showed that hydrolysis lignin had higher monomer yields compared to Kraft lignin due to its lower ash and sulfur contents, as well as chemical structural differences. The hydrolysis lignin also produced more small molecules from ring-opening of cellulose, which stabilized the reactive oligomeric groups. The NiMoS-SBA catalyst showed promise for the depolymerization of lignin and had good stability for multiple reaction cycles.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Biochemistry & Molecular Biology
Sefa Celik, Gozde Yilmaz, Aysen E. Ozel, Sevim Akyuz
Summary: The most stable conformation and dimeric forms of a cyclic dipeptide with anticancer activity were studied using conformational analysis and DFT calculations. Spectra were recorded and analyzed to understand the structural and spectral properties of the molecule. Molecular docking with DNA revealed potential for drug discovery. The compound showed promise with its anticancer activity and drug likeness.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Chemistry, Applied
Jaroslav Aubrecht, Violetta Pospelova, Oleg Kikhtyanin, Martin Vesely, David Kubicka
Summary: Supported copper catalysts are a promising alternative to replace CuCr catalysts in ester hydrogenolysis. This study investigates the effect of support properties on copper nanoparticles formation and the final hydrogenolysis performance. It is found that ZrO2 and alumina supports ensure good copper dispersion and achieve better catalytic performance. The number of acid-base sites affects the HDOL selectivity.
Article
Biochemistry & Molecular Biology
Leslie Lam, Marc A. Ilies
Summary: Esterases and lipases can process esters used as drugs and prodrugs, affecting their pharmacokinetics and biodistribution. The activity of these enzymes is highly dependent on the lipophilicity of the substrate, with classic esterases showing decreased activity and lipases generally displaying increased activity as lipophilicity increases.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Physical
Konstantin Makarov, Alexander Kaushansky, Moris S. Eisen
Summary: The challenging hydroboration of esters was achieved using simple uranium and thorium amides, which showed impressive catalytic activities, excellent yields, and high functional tolerance toward various functional groups. The actinide catalysts also demonstrated great promise for polymer degradation and recycling, with a proposed mechanism based on stoichiometric reactions, DFT calculations, thermodynamic measurements, and deuterium-labeling studies.
Article
Spectroscopy
Jianping Fan, Huaying Lan, Wenfeng Ning, Rongzhen Zhong, Feng Chen, Guiyang Yan, Kaicong Cai
Summary: In this study, a neural network modeling protocol was developed to predict the amide-I frequencies of dipeptide ALAD in various solvation conditions with much lower computational cost compared to electronic structure calculations. This cost-effective approach helps to analyze the dynamic secondary structures and biological functions of polypeptides.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Chemistry, Organic
Ji-Wei Ren, Meng-Nan Tong, Yu-Fen Zhao, Feng Ni
Summary: An efficient triphenylphosphine oxide-catalyzed amidation and esterification reaction has been developed for the rapid synthesis of various dipeptides, amides, and esters. This reaction is suitable for challenging couplings of hindered carboxylic acids with weakly nucleophilic amines or alcohols, providing products in high yields without racemization. The system utilizes the highly reactive intermediate Ph3PCl2 as the activator of the carboxylate and drives the reaction to completion in a short reaction time.
Article
Biology
Marcin Luzarowski, Ruben Vicente, Andrei Kiselev, Mateusz Wagner, Dennis Schlossarek, Alexander Erban, Leonardo Perez de Souza, Dorothee Childs, Izabela Wojciechowska, Urszula Luzarowska, Michal Gorka, Ewelina M. Sokolowska, Monika Kosmacz, Juan C. Moreno, Aleksandra Brzezinska, Bhavana Vegesna, Joachim Kopka, Alisdair R. Fernie, Lothar Willmitzer, Jennifer C. Ewald, Aleksandra Skirycz
Summary: Researchers utilized the PROMIS method for systematic analysis of protein-small molecule interactions in yeast, providing an experimentally-derived catalogue of protein-metabolite complexes in S. cerevisiae. They found that the Ser-Leu dipeptide activates Pgk1 and alters cellular metabolism.
COMMUNICATIONS BIOLOGY
(2021)
Article
Chemistry, Medicinal
Huan Li, Shuang Fu, Lijia Liu, Xuan Yuan, Yudan Wang, Chunhong Zhang, Hongxing Dong, Toshifumi Satoh
Summary: The increasingly growing epidemics of multidrug-resistant bacteria pose a severe threat to public health. This study synthesized a series of N-terminal dipeptide mimetics and evaluated their biological activities. The results showed that these mimetics exhibited broad-spectrum antibacterial activity with high selectivity, making them potential candidates for combating antibiotic resistance and cancer.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2022)
Article
Multidisciplinary Sciences
Gulmira Rakhymbay, Raigul Jumanova, Khaisa Avchukir, Yeldana Bakhytzhan, Akmaral Argimbayeva, Bibisara Burkitbayeva, Mirgul Turmukhanova, Florence Vacandio, Adewale Adeloye
Summary: The study describes a synthetic condensation process involving a vegetable oil (waste) reacting with triethanolamine, maleic anhydride, and acrylonitrile to produce a major inhibitory product. Corrosion of steel in a 3% NaCl solution with the potential inhibitor was studied using weight loss, potentiodynamic polarization, and electrochemical impedance spectroscopy methods, indicating an increase in inhibition efficiency with higher inhibitor concentrations. The compound acts as an effective anodic-type inhibitor, forming an adsorbed film on the surface and increasing polarization resistance values in EIS measurements. Adsorption occurs via physical and chemical mechanisms, confirmed by the presence of an adsorbed protective film observed in FT-IR spectra and SEM micrographs.
ROYAL SOCIETY OPEN SCIENCE
(2021)
Article
Spectroscopy
Kaicong Cai, Xuan Zheng, Yanjun Hou, Feng Chen, Guiyang Yan, Danling Zhuang
Summary: In this study, DFT calculations and molecular dynamics simulations were used to investigate the structural features of lysine dipeptide in gas phase and aqueous solution, revealing correlations between amide-I vibrations and secondary structure. The results provide insights into the structural prediction of polypeptides based on specific site information.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Chemistry, Multidisciplinary
Xiangwei Ren, Hongli Wu, Mei Zhang, Wentao Zhao, Genping Huang
Summary: Density functional theory calculations were used to investigate the dipeptide phosphine-catalyzed reaction mechanism, revealing the important role of hydrogen bonding interactions in determining enantioselectivity.
CHINESE CHEMICAL LETTERS
(2021)
