journal
https://read.qxmd.com/read/38559311/deciphering-the-biosynthesis-and-physiological-function-of-5-methylated-pyrazinones-produced-by-myxobacteria
#41
JOURNAL ARTICLE
Le-Le Zhu, Qingyu Yang, De-Gao Wang, Luo Niu, Zhuo Pan, Shengying Li, Yue-Zhong Li, Wei Zhang, Changsheng Wu
Myxobacteria are a prolific source of secondary metabolites with sheer chemical complexity, intriguing biosynthetic enzymology, and diverse biological activities. In this study, we report the discovery, biosynthesis, biomimetic total synthesis, physiological function, structure-activity relationship, and self-resistance mechanism of the 5-methylated pyrazinone coralinone from a myxobacterium Corallococcus exiguus SDU70. A single NRPS/PKS gene corA was genetically and biochemically demonstrated to orchestrate coralinone, wherein the integral PKS part is responsible for installing the 5-methyl group...
March 27, 2024: ACS Central Science
https://read.qxmd.com/read/38559310/discovery-of-the-highly-selective-and-potent-stat3-inhibitor-for-pancreatic-cancer-treatment
#42
JOURNAL ARTICLE
Huang Chen, Aiwu Bian, Wenbo Zhou, Ying Miao, Jiangnan Ye, Jiahui Li, Peng He, Qiansen Zhang, Yue Sun, Zhenliang Sun, Chaowen Ti, Yihua Chen, Zhengfang Yi, Mingyao Liu
Signal transducer and activator of transcription 3 (STAT3) is an attractive cancer therapeutic target. Unfortunately, targeting STAT3 with small molecules has proven to be very challenging, and for full activation of STAT3, the cooperative phosphorylation of both tyrosine 705 (Tyr705) and serine 727 (Ser727) is needed. Further, a selective inhibitor of STAT3 dual phosphorylation has not been developed. Here, we identified a low nanomolar potency and highly selective small-molecule STAT3 inhibitor that simultaneously inhibits both STAT3 Tyr705 and Ser727 phosphorylation...
March 27, 2024: ACS Central Science
https://read.qxmd.com/read/38559309/-blue-light-camera-action
#43
Paul O'Callaghan, Olof Idevall-Hagren
No abstract text is available yet for this article.
March 27, 2024: ACS Central Science
https://read.qxmd.com/read/38559308/a-novel-molten-salt-mediated-synthesis-of-mesoporous-metal-oxides-with-high-crystallization
#44
JOURNAL ARTICLE
Dongsheng Ma, Hanpeng Lu, Yu Zhou, Shuaihu Jiang, Duan Wang, Qin Yue
The controlled synthesis of mesoporous metal oxides remains a great challenge because the uncontrolled assembly process and high-temperature crystallization can easily destroy the mesostructure. Herein, we develop a facile, versatile, low-cost, and controllable molten salt assisted assembly strategy to synthesize mesoporous metal oxides (e.g., CeO2 , ZrO2 , SnO2 , Li2 TiO3 ) with high surface area (115-155 m2 /g) and uniform mesopore size (3.0 nm). We find this molten salt mediated assembly enables the desolvation of the precursors and forms bare metal ions, enhances their coordination interaction with the surfactant, and promotes their assembly into a mesostructure...
March 27, 2024: ACS Central Science
https://read.qxmd.com/read/38559307/interfacial-charge-transfer-regulates-photoredox-catalysis
#45
REVIEW
Chen Ye, De-Shan Zhang, Bin Chen, Chen-Ho Tung, Li-Zhu Wu
Photoredox catalytic processes offer the potential for precise chemical reactions using light and materials. The central determinant is identified as interfacial charge transfer, which simultaneously engenders distinctive behavior in the overall reaction. An in-depth elucidation of the main mechanism and highlighting of the complexity of interfacial charge transfer can occur through both diffusive and direct transfer models, revealing its potential for sophisticated design in complex transformations. The fundamental photophysics uncover these comprehensive applications and offer a clue for future development...
March 27, 2024: ACS Central Science
https://read.qxmd.com/read/38559306/synthesis-and-single-crystal-x-ray-diffraction-structure-of-an-indium-arsenide-nanocluster
#46
JOURNAL ARTICLE
Soren F Sandeno, Sebastian M Krajewski, Ryan A Beck, Werner Kaminsky, Xiaosong Li, Brandi M Cossairt
The discovery of magic-sized clusters as intermediates in the synthesis of colloidal quantum dots has allowed for insight into formation pathways and provided atomically precise molecular platforms for studying the structure and surface chemistry of those materials. The synthesis of monodisperse InAs quantum dots has been developed through the use of indium carboxylate and As(SiMe3 )3 as precursors and documented to proceed through the formation of magic-sized intermediates. Herein, we report the synthesis, isolation, and single-crystal X-ray diffraction structure of an InAs nanocluster that is ubiquitous across reports of InAs quantum dot synthesis...
March 27, 2024: ACS Central Science
https://read.qxmd.com/read/38559305/mannosylated-sting-agonist-drugamers-for-dendritic-cell-mediated-cancer-immunotherapy
#47
JOURNAL ARTICLE
Dinh Chuong Nguyen, Kefan Song, Simbarashe Jokonya, Omeed Yazdani, Drew L Sellers, Yonghui Wang, Abm Zakaria, Suzie H Pun, Patrick S Stayton
The Stimulator of Interferon Genes (STING) pathway is a promising target for cancer immunotherapy. Despite recent advances, therapies targeting the STING pathway are often limited by routes of administration, suboptimal STING activation, or off-target toxicity. Here, we report a dendritic cell (DC)-targeted polymeric prodrug platform (polySTING) that is designed to optimize intracellular delivery of a diamidobenzimidazole (diABZI) small-molecule STING agonist while minimizing off-target toxicity after parenteral administration...
March 27, 2024: ACS Central Science
https://read.qxmd.com/read/38559304/zeosyn-a-comprehensive-zeolite-synthesis-dataset-enabling-machine-learning-rationalization-of-hydrothermal-parameters
#48
JOURNAL ARTICLE
Elton Pan, Soonhyoung Kwon, Zach Jensen, Mingrou Xie, Rafael Gómez-Bombarelli, Manuel Moliner, Yuriy Román-Leshkov, Elsa Olivetti
Zeolites, nanoporous aluminosilicates with well-defined porous structures, are versatile materials with applications in catalysis, gas separation, and ion exchange. Hydrothermal synthesis is widely used for zeolite production, offering control over composition, crystallinity, and pore size. However, the intricate interplay of synthesis parameters necessitates a comprehensive understanding of synthesis-structure relationships to optimize the synthesis process. Hitherto, public zeolite synthesis databases only contain a subset of parameters and are small in scale, comprising up to a few thousand synthesis routes...
March 27, 2024: ACS Central Science
https://read.qxmd.com/read/38559303/substrate-selective-catalysis-enabled-synthesis-of-azaphilone-natural-products
#49
JOURNAL ARTICLE
Ye Wang, Katherine J Torma, Joshua B Pyser, Paul M Zimmerman, Alison R H Narayan
Achieving substrate-selectivity is a central element of nature's approach to synthesis. By relying on the ability of a catalyst to discriminate between components in a mixture, control can be exerted over which molecules will move forward in a synthesis. This approach can be powerful when realized but can be challenging to duplicate in the laboratory. In this work, substrate-selective catalysis is leveraged to discriminate between two intermediates that exist in equilibrium, subsequently directing the final cyclization to arrive at either the linear or angular tricyclic core common to subsets of azaphilone natural products...
March 27, 2024: ACS Central Science
https://read.qxmd.com/read/38559302/protein-structure-based-organic-chemistry-driven-ligand-design-from-ultralarge-chemical-spaces
#50
JOURNAL ARTICLE
François Sindt, Anthony Seyller, Merveille Eguida, Didier Rognan
Ultralarge chemical spaces describing several billion compounds are revolutionizing hit identification in early drug discovery. Because of their size, such chemical spaces cannot be fully enumerated and require ad-hoc computational tools to navigate them and pick potentially interesting hits. We here propose a structure-based approach to ultralarge chemical space screening in which commercial chemical reagents are first docked to the target of interest and then directly connected according to organic chemistry and topological rules, to enumerate drug-like compounds under three-dimensional constraints of the target...
March 27, 2024: ACS Central Science
https://read.qxmd.com/read/38559301/stabilizing-the-catalyst-layer-for-durable-and-high-performance-alkaline-membrane-fuel-cells-and-water-electrolyzers
#51
JOURNAL ARTICLE
Chuan Hu, Hyun Woo Kang, Seung Won Jung, Xiaohua Zhang, Young Jun Lee, Na Yoon Kang, Chi Hoon Park, Young Moo Lee
Anion exchange membrane (AEM) fuel cells (AEMFCs) and water electrolyzers (AEMWEs) suffer from insufficient performance and durability compared with commercialized energy conversion systems. Great efforts have been devoted to designing high-quality AEMs and catalysts. However, the significance of the stability of the catalyst layer has been largely disregarded. Here, an in situ cross-linking strategy was developed to promote the interactions within the catalyst layer and the interactions between catalyst layer and AEM...
March 27, 2024: ACS Central Science
https://read.qxmd.com/read/38559300/electronic-excited-states-from-physically-constrained-machine-learning
#52
JOURNAL ARTICLE
Edoardo Cignoni, Divya Suman, Jigyasa Nigam, Lorenzo Cupellini, Benedetta Mennucci, Michele Ceriotti
Data-driven techniques are increasingly used to replace electronic-structure calculations of matter. In this context, a relevant question is whether machine learning (ML) should be applied directly to predict the desired properties or combined explicitly with physically grounded operations. We present an example of an integrated modeling approach in which a symmetry-adapted ML model of an effective Hamiltonian is trained to reproduce electronic excitations from a quantum-mechanical calculation. The resulting model can make predictions for molecules that are much larger and more complex than those on which it is trained and allows for dramatic computational savings by indirectly targeting the outputs of well-converged calculations while using a parametrization corresponding to a minimal atom-centered basis...
March 27, 2024: ACS Central Science
https://read.qxmd.com/read/38559299/natural-product-synthesis-in-the-21st-century-beyond-the-mountain-top
#53
REVIEW
Ryan A Shenvi
Research into natural products emerged from humanity's curiosity about the nature of matter and its role in the materia medica of diverse civilizations. Plants and fungi, in particular, supplied materials that altered behavior, perception, and well-being profoundly. Many active principles remain well-known today: strychnine, morphine, psilocybin, ephedrine. The potential to circumvent the constraints of natural supply and explore the properties of these materials led to the field of natural product synthesis...
March 27, 2024: ACS Central Science
https://read.qxmd.com/read/38559298/a-sample-centric-and-knowledge-driven-computational-framework-for-natural-products-drug-discovery
#54
Arnaud Gaudry, Marco Pagni, Florence Mehl, Sébastien Moretti, Luis-Manuel Quiros-Guerrero, Luca Cappelletti, Adriano Rutz, Marcel Kaiser, Laurence Marcourt, Emerson Ferreira Queiroz, Jean-Robert Ioset, Antonio Grondin, Bruno David, Jean-Luc Wolfender, Pierre-Marie Allard
The ENPKG framework organizes large heterogeneous metabolomics data sets as a knowledge graph, offering exciting opportunities for drug discovery and chemodiversity characterization.
March 27, 2024: ACS Central Science
https://read.qxmd.com/read/38559297/molecular-deformation-is-a-key-factor-in-screening-aggregation-inhibitor-for-intrinsically-disordered-protein-tau
#55
JOURNAL ARTICLE
Keke Chai, Jian Yang, Ying Tu, Junjie Wu, Kang Fang, Shuo Shi, Tianming Yao
Direct inhibitor of tau aggregation has been extensively studied as potential therapeutic agents for Alzheimer's disease. However, the natively unfolded structure of tau complicates the structure-based ligand design, and the relatively large surface areas that mediate tau-tau interactions in aggregation limit the potential for identifying high-affinity ligand binding sites. Herein, a group of isatin-pyrrolidinylpyridine derivative isomers (IPP1-IPP4) were designed and synthesized. They are like different forms of molecular "transformers"...
March 27, 2024: ACS Central Science
https://read.qxmd.com/read/38559296/reversibly-sticking-metals-and-graphite-to-hydrogels-and-tissues
#56
JOURNAL ARTICLE
Wenhao Xu, Faraz A Burni, Srinivasa R Raghavan
We have discovered that hard, electrical conductors (e.g., metals or graphite) can be adhered to soft, aqueous materials (e.g., hydrogels, fruit, or animal tissue) without the use of an adhesive. The adhesion is induced by a low DC electric field. As an example, when 5 V DC is applied to graphite slabs spanning a tall cylindrical gel of acrylamide (AAm), a strong adhesion develops between the anode (+) and the gel in about 3 min. This adhesion endures after the field is removed, and we term it as hard-soft electroadhesion or EA [HS] ...
March 27, 2024: ACS Central Science
https://read.qxmd.com/read/38559295/electrochemical-synthesis-of-sound-hearing-the-electrochemical-double-layer
#57
JOURNAL ARTICLE
Megan Kelly, Bill Yan, Christine Lucky, Marcel Schreier
Electrochemical double layers (EDLs) govern the operation of batteries, fuel cells, electrochemical sensors, and electrolyzers. However, their invisible nature makes their properties and function difficult to conceptualize, creating an impediment to the broader understanding of double-layer function required for future technologies in energy storage and chemical synthesis. To render the behavior of electrochemical interfaces more intuitive, we made the rearrangement of interfacial components audible by employing the EDL as a variable element in a relaxation oscillator circuit...
March 27, 2024: ACS Central Science
https://read.qxmd.com/read/38559294/the-challenges-of-working-with-legacy-nmrs
#58
Celia Arnaud
No abstract text is available yet for this article.
March 27, 2024: ACS Central Science
https://read.qxmd.com/read/38559293/discovery-of-a-potent-antiosteoporotic-drug-molecular-scaffold-derived-from-angelica-sinensis-and-its-bioinspired-total-synthesis
#59
JOURNAL ARTICLE
Jian Zou, Zuo-Cheng Qiu, Qiang-Qiang Yu, Jia-Ming Wu, Yong-Heng Wang, Ke-Da Shi, Yi-Fang Li, Rong-Rong He, Ling Qin, Xin-Sheng Yao, Xin-Luan Wang, Hao Gao
Angelica sinensis , commonly known as Dong Quai in Europe and America and as Dang-gui in China, is a medicinal plant widely utilized for the prevention and treatment of osteoporosis. In this study, we report the discovery of a new category of phthalide from Angelica sinensis , namely falcarinphthalides A and B ( 1 and 2 ), which contains two fragments, (3 R ,8 S )-falcarindiol ( 3 ) and ( Z )-ligustilide ( 4 ). Falcarinphthalides A and B ( 1 and 2 ) represent two unprecedented carbon skeletons of phthalide in natural products, and their antiosteoporotic activities were evaluated...
March 27, 2024: ACS Central Science
https://read.qxmd.com/read/38559292/ultralow-background-membrane-editors-for-spatiotemporal-control-of-phosphatidic-acid-metabolism-and-signaling
#60
JOURNAL ARTICLE
Xiang-Ling Li, Reika Tei, Masaaki Uematsu, Jeremy M Baskin
Phosphatidic acid (PA) is a multifunctional lipid with important metabolic and signaling functions, and efforts to dissect its pleiotropy demand strategies for perturbing its levels with spatiotemporal precision. Previous membrane editing approaches for generating local PA pools used light-mediated induced proximity to recruit a PA-synthesizing enzyme, phospholipase D (PLD), from the cytosol to the target organelle membrane. Whereas these optogenetic PLDs exhibited high activity, their residual activity in the dark led to undesired chronic lipid production...
March 27, 2024: ACS Central Science
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