ACS Organic & Inorganic Au最新文献

Fluorine Chemistry. 氟化学。

IF 3.3

ACS Organic & Inorganic Au Pub Date : 2026-04-01 DOI: 10.1021/acsorginorgau.6c00022

Thomas Poisson, Valentina Dichiarante

引用次数: 0

Exploring the Competition between Halogen Bonding and CH Hydrogen Bonding in Bromoarenes Using an Aryldiyne Template. 用芳基二炔模板研究溴芳烃中卤素键和CH氢键的竞争。

IF 3.3

ACS Organic & Inorganic Au Pub Date : 2026-03-16 eCollection Date: 2026-04-01 DOI: 10.1021/acsorginorgau.6c00009

Maggie A Schultz, Elijah T Randazzo, Rachel A Stindt, Shannon C Riha, Joseph D Scanlon, Eric Bosch, Nathan P Bowling

{"title":"Exploring the Competition between Halogen Bonding and CH Hydrogen Bonding in Bromoarenes Using an Aryldiyne Template.","authors":"Maggie A Schultz, Elijah T Randazzo, Rachel A Stindt, Shannon C Riha, Joseph D Scanlon, Eric Bosch, Nathan P Bowling","doi":"10.1021/acsorginorgau.6c00009","DOIUrl":"https://doi.org/10.1021/acsorginorgau.6c00009","url":null,"abstract":"Hydrogens connected to benzene rings functionalized with electron-withdrawing groups are found to provide attractions with electron donors that are competitive with the halogen bond attraction to bromines on the same rings. An aryldiyne bridge that adequately templates this CH hydrogen bonding, along with the competing halogen bonding, provides an experimental pathway for looking at these interactions in a systematic way. Calculations using the M06-2x/6-311+G-(2d,p) density functional and basis set, along with mapping of the molecular electrostatic potentials using B3LYP/6-311++G**, support the experimental conclusion that CH hydrogen bonding to bromoarenes can be preferred to halogen bonding due to the greater positive potential on the surface of the hydrogen compared to that of the bromine. Computational evidence suggests a preference for the CH hydrogen bond conformer of the templated system regardless of the arrangement of electron-withdrawing (-F or -CF3) substituents on the haloarenes. At ∼5 kJ/mol or less, the energy differences between CH hydrogen bonding conformers and bromine-based halogen bonding conformers are often small, however, suggesting that selective crystal design using either interaction would be challenging.","PeriodicalId":29797,"journal":{"name":"ACS Organic & Inorganic Au","volume":"6 2","pages":"248-257"},"PeriodicalIF":3.3,"publicationDate":"2026-03-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13047451/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147623956","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Convergent Synthesis of Tetradentate Aminopyridine C-H Oxidation Catalysts. 四齿氨基吡啶C-H氧化催化剂的聚合合成。

IF 3.3

ACS Organic & Inorganic Au Pub Date : 2026-03-10 eCollection Date: 2026-04-01 DOI: 10.1021/acsorginorgau.6c00006

Yiheng Lu, Kanstantsin Anisovich, Konrad Tiefenbacher

引用次数: 0

C-C Bond Formation via Direct Functionalization of Indolizines with a Bichromophoric Ruthenium Photocatalyst. 用双色性钌光催化剂直接功能化吲哚啉形成C-C键。

IF 3.3

ACS Organic & Inorganic Au Pub Date : 2026-02-07 eCollection Date: 2026-04-01 DOI: 10.1021/acsorginorgau.5c00110

Kevin Klaus Stefanoni, René Wilhelm

引用次数: 0

ACS Organic & Inorganic Au: The 2025 Rising Stars. ACS有机和无机金：2025年的新星。

IF 3.3

ACS Organic & Inorganic Au Pub Date : 2026-02-04 DOI: 10.1021/acsorginorgau.5c00124

Géraldine Masson

引用次数: 0

Synthetic Applications of Hydroxamic Acids and Their Derivatives in Organic Chemistry. 羟基肟酸及其衍生物在有机化学中的合成应用。

IF 3.3

ACS Organic & Inorganic Au Pub Date : 2026-02-03 eCollection Date: 2026-04-01 DOI: 10.1021/acsorginorgau.5c00120

Rui Wang, Wenbo H Liu

引用次数: 0

Non-Catalyzed Cascade Double Imination Reaction of 2‑Fluoro-alk-3-yn-1-ones: Sustainable Synthesis of 3‑Fluoro-1,5-benzodiazepines. 2 -氟烷基-3-炔-1-酮的非催化级联双模拟反应：3-氟-1,5-苯二氮卓类药物的可持续合成。

IF 3.3

ACS Organic & Inorganic Au Pub Date : 2026-01-30 eCollection Date: 2026-04-01 DOI: 10.1021/acsorginorgau.5c00116

Trevor L Olson, Ariela W Kaspi-Kaneti, Adrian Zając, Dominic Agyei Gyimah, Austin Walsh, Jacob A Weston, Alexander A Rusakov, Kraig A Wheeler, Béla Török, Roman Dembinski

{"title":"Non-Catalyzed Cascade Double Imination Reaction of 2‑Fluoro-alk-3-yn-1-ones: Sustainable Synthesis of 3‑Fluoro-1,5-benzodiazepines.","authors":"Trevor L Olson, Ariela W Kaspi-Kaneti, Adrian Zając, Dominic Agyei Gyimah, Austin Walsh, Jacob A Weston, Alexander A Rusakov, Kraig A Wheeler, Béla Török, Roman Dembinski","doi":"10.1021/acsorginorgau.5c00116","DOIUrl":"https://doi.org/10.1021/acsorginorgau.5c00116","url":null,"abstract":"The cascade reactions of 2-fluoroalk-3-yn-1-ones with o-phenylenediamines provide an effective synthetic method with high atom economy for the preparation of diversely substituted 3-fluoro-3H-benzo-[b]-[1,4]-diazepines (52-81%). This noncatalytic and sustainable process embraces formal hydroamination and imination reactions, resulting in the formation of two CN and two C-H bonds. DFT modeling provided additional insight into the reaction's mechanism, favoring the pathway involving initial cyclization of nonconjugated enaminone, o-aminoanilino-2-fluorobut-3-en-1-one. The reaction may be diverted to the formation of conjugated enaminone (o-aminoanilino-2-fluorobut-2-en-1-one), whose presence was confirmed by 1H NMR. The conformational properties of the 7-membered ring were investigated by the 1H and 19F variable temperature NMR studies in solution and by the X-ray structure determination of 3-fluoro-4-(4-methylbenzyl)-2-phenyl-3H-benzo-[b]-[1,4]-diazepine.","PeriodicalId":29797,"journal":{"name":"ACS Organic & Inorganic Au","volume":"6 2","pages":"237-247"},"PeriodicalIF":3.3,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13047452/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147623919","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A New Water-Soluble Copper(II) Coordination Polymer for Electrocatalytic Oxygen Evolution Reaction. 电催化析氧反应用新型水溶性铜（II）配位聚合物

IF 3.3

ACS Organic & Inorganic Au Pub Date : 2026-01-27 eCollection Date: 2026-04-01 DOI: 10.1021/acsorginorgau.5c00077

Renata P P Macedo, Joice L Carvalho, P R A de Oliveira, Lorenzo C Visentin, Nakédia M F Carvalho

{"title":"A New Water-Soluble Copper(II) Coordination Polymer for Electrocatalytic Oxygen Evolution Reaction.","authors":"Renata P P Macedo, Joice L Carvalho, P R A de Oliveira, Lorenzo C Visentin, Nakédia M F Carvalho","doi":"10.1021/acsorginorgau.5c00077","DOIUrl":"https://doi.org/10.1021/acsorginorgau.5c00077","url":null,"abstract":"The development of efficient and low-cost catalysts to promote the oxygen evolution reaction (OER) is a challenge for the generation of green hydrogen through water splitting electrolysis. This work describes the synthesis of a new water-soluble one-dimensional copper-(II) coordination polymer for application as an earth-abundant OER molecular electrocatalyst. The ligand was designed to have nitrogenated and carboxylate groups, inspired by the amino acid residues of the Mn4CaO5 cluster of photosystem II (PSII). The multiple coordination sites with different Lewis basicity were envisioned to infer structural stability and modulated electronic structure of the Cu-(II) center allowing redox processes to occur during the OER. Furthermore, a N-propanoate linker allows structural flexibility for the formation of carboxylate bridges and the coordination polymer. The single-crystal diffraction structure reveals an unusual monatomic bridge involving the chelation of the carboxylate group to two adjacent Cu-(II) ions. The electrocatalysis of the OER was conducted in a phosphate buffer at pH 12.5, and an onset overpotential of 394 mV was achieved at a current density of 0.1 mA cm-2, comparable to those reported for CuII molecular catalysts. Kinetic data show first-order electron transfer with a turnover frequency of 2.1 s-1. Stability tests by chronopotentiometry and cyclic voltammetry showed the formation of a CuOx-OH film at the working electrode surface, indicating the contribution of heterogeneous electrocatalysis for the OER.","PeriodicalId":29797,"journal":{"name":"ACS Organic & Inorganic Au","volume":"6 2","pages":"209-224"},"PeriodicalIF":3.3,"publicationDate":"2026-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13047454/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147623869","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Aggregation Tendency, Cellular Uptake, and Viability Effects of Structurally Distinct Carbazole-Phthalocyanine Gold Nanoconjugates. 结构不同的咔唑-酞菁金纳米缀合物的聚集倾向、细胞摄取和活力效应。

IF 3.3

ACS Organic & Inorganic Au Pub Date : 2026-01-26 eCollection Date: 2026-02-04 DOI: 10.1021/acsorginorgau.5c00107

Neval Sevinç Özdemir, Özlem İpsiz Öney, Hacer Yasemin Yenilmez, Nazlı Farajzadeh Öztürk, Zehra Altuntaş Bayır

{"title":"Aggregation Tendency, Cellular Uptake, and Viability Effects of Structurally Distinct Carbazole-Phthalocyanine Gold Nanoconjugates.","authors":"Neval Sevinç Özdemir, Özlem İpsiz Öney, Hacer Yasemin Yenilmez, Nazlı Farajzadeh Öztürk, Zehra Altuntaş Bayır","doi":"10.1021/acsorginorgau.5c00107","DOIUrl":"10.1021/acsorginorgau.5c00107","url":null,"abstract":"Phthalocyanine-gold nanoparticle (Pc-AuNP) conjugates combine the unique properties of gold with the therapeutic potential of phthalocyanines, offering a promising strategy for cancer therapy. Here, two novel carbazole-containing Pcs, axially disubstituted Si-(IV) and peripherally tetra-substituted Zn-(II) derivatives, were synthesized and conjugated to gold nanoparticles of two core sizes (20 and 40 nm). Characterization was performed using TEM and SEM techniques. Stability assays in complete medium showed a stronger aggregation tendency for SiPc-AuNPs than for ZnPc-AuNPs. Bright-field microscopy revealed that Pc-AuNPs induced detachment of A549 lung adenocarcinoma cells but not HUVEC endothelial cells, highlighting a cell type-dependent effect. Despite this detachment, no significant loss of viability occurred at 72 h, underscoring the resilience of A549 cells to membrane and cytoskeletal stress. Once internalized, both SiPc- and ZnPc-based nanoconjugates displayed similar cytoplasmic and perinuclear localization, suggesting uptake was dominated by the AuNP carrier. Preliminary MTT assays showed dye-particle interference, leading to use of the PrestoBlue assay, which avoids insoluble formazan artifacts. Viability analysis indicated that only Au40/SiPc transiently increased A549 reducing capacity at 24 h, likely due to short-term ROS scavenging, which normalized by 72 h. Overall, these findings demonstrate how metal center, substitution geometry, and particle size collectively affect aggregation, cellular interactions, and cytotoxic profiles, providing insights for optimizing Pc-AuNPs as nanophototherapeutic agents.","PeriodicalId":29797,"journal":{"name":"ACS Organic & Inorganic Au","volume":"6 1","pages":"149-160"},"PeriodicalIF":3.3,"publicationDate":"2026-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12879172/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146143712","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Fluorinated Solvents for Chemoselective Oxidations: A Strategy toward Synthetic Ideality in Natural Product Synthesis. 用于化学选择性氧化的氟化溶剂：天然产物合成的理想合成策略。

IF 3.3

ACS Organic & Inorganic Au Pub Date : 2026-01-23 eCollection Date: 2026-02-04 DOI: 10.1021/acsorginorgau.5c00121

Victor C S Santana, Lucas D P Gonçalves, Yasmin N Salmazo, Julian C S Pavan, Deborah de A Simoni, Vladimir C G Heleno, Emilio C de Lucca

引用次数: 0