Article
Chemistry, Multidisciplinary
Huaxing Fei, Wen Li, Nan Lu, Qinghuo Liu, Youyu Zhang
Summary: Musk xylene (MX), a personal care product, has emerged as a new environmental contaminant. Long-term exposure to MX is associated with various cancers, but the underlying mechanisms are unclear. This study used molecular dynamics (MD) simulation to investigate the interaction between MX and the epidermal growth factor receptor (EGFR). Results showed that MX bound to the extracellular domain of EGFR through van der Waals and nonpolar interactions. The binding affinity of MX to EGFR was highest in one specific binding site, which coincidentally overlapped with the binding area of EGFR's natural ligand, EGF. It was hypothesized that MX activates the MAPK signaling pathway similar to EGF, leading to tumorigenesis.
Article
Chemistry, Physical
Xin Song, Fangjun Shao, Zijiang Zhao, Xiaonian Li, Zhongzhe Wei, Jianguo Wang
Summary: In this study, a single-atom Ni-modified Al2O3-supported Pd catalyst was proposed for the selective semi-hydrogenation of alkynes with high activity at low temperatures and pressures. The catalyst exhibited good stability and achieved efficient reactions at lower temperatures and pressures, benefiting from the synergistic effect of Pd and Ni.
Article
Chemistry, Physical
Tao Tong, Mark Douthwaite, Lu Chen, Rebecca Engel, Matthew B. Conway, Wanjun Guo, Xin-Ping Wu, Xue-Qing Gong, Yanqin Wang, David J. Morgan, Thomas Davies, Christopher J. Kiely, Liwei Chen, Xi Liu, Graham J. Hutchings
Summary: The physicochemical properties of Pt/CeO2 catalysts were varied to investigate their impact on the hydrogen-borrowing amination of alcohols. It was found that the Pt precursor and CeO2 support properties strongly influenced catalytic performance. The most active catalyst exhibited linearly structured Pt species, which were more effective for the rate-determining step of cyclopentanol dehydrogenation compared to Pt clusters and nanoparticles. This study not only provides insights into desirable catalytic properties for hydrogen-borrowing amination but also has broader relevance to related fields.
Review
Chemistry, Medicinal
Gangliang Huang, Shiyu Huang
Summary: Glucan has gained attention in life science research for its various advantages, but there are still two main issues in pharmacodynamics, including a lack of information on its mechanism of action and slow progress in the study of structure-activity relationships.
PHYTOTHERAPY RESEARCH
(2021)
Article
Biology
Wayne Mitchell, Jeffrey D. Tamucci, Emery L. Ng, Shaoyi Liu, Alexander Birk, Hazel H. Szeto, Eric R. May, Andrei T. Alexandrescu, Nathan N. Alder
Summary: Mitochondria play a key role in metabolic homeostasis and their dysfunction is associated with various diseases. This study analyzed the structure-activity relationship of tetrapeptide analogs with different aromatic side chain compositions and sequence registrations. The results showed that these analogs adopt compact reverse turn conformations when bound to membranes and exhibit differences in membrane interactions. The analogs had effects on membrane surface charge and were able to penetrate cells and target mitochondria without strict requirements for side chain composition or sequence register. The analog with tryptophan side chains showed the strongest impact on membrane properties and had the highest efficacy in cell culture studies.
Article
Chemistry, Multidisciplinary
Vladimir Dacho, Artem Nikipelov, Michaela Tothova, Philip Kraft, Peter Szolcsanyi
Summary: A set of small-ring analogues of alicyclic musks were designed and evaluated, showing a wide range of pleasant and interesting scents including herbal, green, fruity, and chocolate ones. However, reducing the size of the cyclohexane ring eliminates the true musk scent.
HELVETICA CHIMICA ACTA
(2023)
Review
Chemistry, Multidisciplinary
Bram B. C. Peters, Pher G. Andersson
Summary: The translation discusses the application of chiral iridium complexes derived from Crabtree's catalyst in modern hydrogenation of olefins. Despite the pH neutrality of these precatalysts, the reaction mixtures become acidic under hydrogenation conditions. The paper explores the implications of this acidity on asymmetric hydrogenation and suggests opportunities for utilizing or eliminating the generated Bronsted acid.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Multidisciplinary
Ye Lu, Jixiao Wang, Xiujuan Feng, Yanhui Li, Wei Zhang, Yoshinori Yamamoto, Ming Bao
Summary: An efficient and highly selective heterogeneous catalyst system using unsupported palladium nanopores (PdNPore) was developed for nitrile hydrogenation. The PdNPore catalyst demonstrated high activity and excellent selectivity, producing primary amines with satisfactory to excellent yields. The catalyst could be easily recovered and reused without any loss of catalytic activity.
Article
Chemistry, Physical
Alex J. Plajer, Charlotte K. Williams
Summary: Heteronuclear complexes exhibit high catalytic activity in ring opening copolymerizations. By studying a series of trinuclear complexes, it was found that certain catalysts show high activity for specific reactions, such as CHO/CO2 ROCOP and CHO/ PA copolymerization, allowing for controlled polyether block formation. These findings can guide future catalyst design and inspire other CO2 utilization processes.
Article
Chemistry, Medicinal
Dehui Zhang, Ann M. Decker, Kristen Woodhouse, Rodney Snyder, Purvi Patel, Danni L. Harris, Yuan -Xiang Tao, Jun-Xu Li, Yanan Zhang
Summary: The blockade of LPA5 by isoquinolone derivatives showed promising potential as analgesics, with good in vitro potency, selectivity, metabolic stability, and brain permeability, indicating that these compounds could effectively attenuate nociceptive hypersensitivity.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2022)
Review
Materials Science, Multidisciplinary
Julien Peyrton, Luc Averous
Summary: Polyurethanes (PU) are versatile materials obtained by combining polyols and polyisocyanates, with a global market of $50 billion. They are used in various applications, with flexible and rigid foams being the main types for furniture, automotive, bedding, insulation, and construction markets. Future trends involve using high-performance biobased materials with low environmental impact.
MATERIALS SCIENCE & ENGINEERING R-REPORTS
(2021)
Review
Environmental Sciences
Joonrae Roger Kim, Jean-Rene Thelusmond, Vurtice C. Albright III, Yunzhou Chai
Summary: Research on the environmental biodegradation or microbial biodegradation of polymers has increased due to the demand for biodegradable polymers. The intrinsic biodegradability of a polymer depends on its chemical structure and physical properties. Empirical structure-activity relationships (SARs) for biodegradability of polymers in laboratory studies have been summarized. Polyolefins with carbon-carbon chains are not biodegradable, while polymers with labile bonds may favor biodegradation. Factors such as molecular weight, crosslinking, water solubility, degree of substitution, and crystallinity influence the biodegradability of polymers. Challenges in developing quantitative structure-activity relationships (QSARs) for polymer biodegradability and the need for better characterization and consistent testing conditions are highlighted.
SCIENCE OF THE TOTAL ENVIRONMENT
(2023)
Article
Chemistry, Medicinal
Shenyou Nie, Yuan Yao, Fangrui Wu, Xiaowei Wu, Jidong Zhao, Yuanda Hua, Jingyu Wu, Tong Huo, Yi-Lun Lin, Alexander R. Kneubehl, Megan B. Vogt, Josephine Ferreon, Rebecca Rico-Hesse, Yongcheng Song
Summary: A novel series of compounds are found to be potent allosteric inhibitors of Zika virus protease, with inhibitory activities against homologous proteases of dengue and West Nile viruses as well. The most potent compounds showed strong inhibition of Zika virus replication in cells and in a mouse model, representing potential leads for drug development against Flavivirus infections.
JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Food Science & Technology
Ruoxin Chen, Jingxiang Xu, Weihao Wu, Yuxi Wen, Suyue Lu, Hesham R. El-Seedi, Chao Zhao
Summary: This review explores the structure-activity relationship of polysaccharides, highlighting the contributions of molecular weight, monosaccharide composition, functional groups, types of glycoside bonds, conformation, and branching degrees to immunostimulatory activity. However, the limited purity and heterogeneity of polysaccharides pose challenges to studying their structure-activity relationships.
CURRENT RESEARCH IN FOOD SCIENCE
(2022)
Article
Chemistry, Applied
Liping Guo, Wallace Yokoyama, Ling Chen, Fei Liu, Maoshen Chen, Fang Zhong
Summary: The objective of this research was to identify the structural and physicochemical factors of konjac glucomannan (KGM). The results indicated that hydration rate and viscosity development of KGM solutions were related to particle size and surface morphology, rather than molecular structure. Lower M/G ratios led to lower viscosity, while higher acetyl content exhibited higher viscosity.
FOOD HYDROCOLLOIDS
(2021)
Article
Chemistry, Multidisciplinary
Irene Felker, Gabriele Pupo, Philip Kraft, Benjamin List
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2015)
Article
Chemistry, Organic
Christopher M. Plummer, Philip Kraft, Jordan Froese, Tomas Hudlicky, Trevor J. Rook, Oliver A. H. Jones, Helmut M. Huegel
ASIAN JOURNAL OF ORGANIC CHEMISTRY
(2015)
Article
Chemistry, Organic
Junhui Liu, Yue Zou, Wu Fan, Jian Mao, Guobi Chai, Peng Li, Zhan Qu, Yongli Zong, Jianxun Zhang, Philip Kraft
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2016)
Article
Chemistry, Organic
Kim Nguyen, Pascal Sutter, Philip Kraft
SYNTHESIS-STUTTGART
(2017)
Article
Chemistry, Multidisciplinary
Samuel Jordi, Philip Kraft
HELVETICA CHIMICA ACTA
(2018)
Article
Chemistry, Organic
Nicole Hauser, Philip Kraft, Erick M. Carreira
SYNTHESIS-STUTTGART
(2018)
Article
Chemistry, Organic
Christopher M. Plummer, Robert Gericke, Philip Kraft, Aaron Raynor, Jordan Froese, Tomas Hudlicky, Trevor J. Rook, Oliver A. H. Jones, Helmut M. Huegel
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2015)
Article
Chemistry, Inorganic & Nuclear
Bettina Foerster, Ruediger Bertermann, Philip Kraft, Reinhold Tacke
Article
Multidisciplinary Sciences
Steffen Wolf, Lian Gelis, Steffen Doerrich, Hanns Hatt, Philip Kraft
Article
Chemistry, Multidisciplinary
Philip Kraft
HELVETICA CHIMICA ACTA
(2019)
Article
Chemistry, Organic
Patrick Pfaff, Halima Mouhib, Philip Kraft
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2019)
Review
Chemistry, Multidisciplinary
Nicolas Armanino, Julie Charpentier, Felix Flachsmann, Andreas Goeke, Marc Liniger, Philip Kraft
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2020)
Article
Chemistry, Organic
Jie Liu, Vera Hurlimann, Roger Emter, Andreas Natsch, Carmen Esposito, Stephanie M. Linker, Yue Zou, Lijun Zhou, Quanrui Wang, Sereina Riniker, Philip Kraft
Article
Chemistry, Multidisciplinary
Vladimir Dacho, Artem Nikipelov, Michaela Tothova, Philip Kraft, Peter Szolcsanyi
Summary: A set of small-ring analogues of alicyclic musks were designed and evaluated, showing a wide range of pleasant and interesting scents including herbal, green, fruity, and chocolate ones. However, reducing the size of the cyclohexane ring eliminates the true musk scent.
HELVETICA CHIMICA ACTA
(2023)
Article
Chemistry, Multidisciplinary
Martin A. Lovchik, Philip Kraft
CHEMISTRY-A EUROPEAN JOURNAL
(2017)