Helvetica Chimica Acta最新文献

The Preparation of Novel Fluorenes Inspired by Hipposudoric Acid 以海马酸为灵感的新型芴类化合物的制备

IF 1.9 4区化学

Helvetica Chimica Acta Pub Date : 2026-10-16 Epub Date: 2026-09-23 DOI: 10.1002/hlca.70102

Munib Uddin, Freya Harrison, Florida Koçi, Stephen P. Wren

{"title":"The Preparation of Novel Fluorenes Inspired by Hipposudoric Acid","authors":"Munib Uddin, Freya Harrison, Florida Koçi, Stephen P. Wren","doi":"10.1002/hlca.70102","DOIUrl":"https://doi.org/10.1002/hlca.70102","url":null,"abstract":"The growing challenge of antimicrobial resistance has intensified the need for new antimicrobial therapeutics. Hipposudoric acid and norhipposudoric acid, pigments isolated from the skin secretions of Hippopotamus amphibius, are predicted to exhibit antimicrobial activity, but are limited by intrinsic chemical instability and synthetically demanding access. Herein, we report on the design and synthesis of a series of fluorene-based derivatives loosely inspired by the tricyclic framework of the natural products. Preparation of sixteen novel N-alkylated derivatives was accomplished via a series of concise one-step amide N-alkylation reactions. Reaction outcome was noted to be strongly dependent on electronic activation and steric accessibility of the alkyl halide electrophiles, with adjacent electron-withdrawing groups significantly enhancing the efficiency of the N-alkylation reaction. All synthesized compounds exhibited excellent short-term stability under both solution-phase and solid-state storage conditions. Furthermore, in silico ADME evaluation predicted that the entire library complies with Lipinski's rule of five and possesses favorable predicted drug-like properties, including acceptable predicted gastrointestinal absorption and membrane permeability profiles.","PeriodicalId":12842,"journal":{"name":"Helvetica Chimica Acta","volume":"109 10","pages":""},"PeriodicalIF":1.9,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/hlca.70102","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149205974","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Measuring Temporal Variations of Nucleotide Pools in Microbial Granular Biofilm 微生物颗粒生物膜中核苷酸池的时间变化测量

IF 1.9 4区化学

Helvetica Chimica Acta Pub Date : 2026-10-16 Epub Date: 2026-09-30 DOI: 10.1002/hlca.70103

Jitske M. van Ede, Timothy Páez-Watson, Mark C. M. van Loosdrecht, Martin Pabst

{"title":"Measuring Temporal Variations of Nucleotide Pools in Microbial Granular Biofilm","authors":"Jitske M. van Ede, Timothy Páez-Watson, Mark C. M. van Loosdrecht, Martin Pabst","doi":"10.1002/hlca.70103","DOIUrl":"https://doi.org/10.1002/hlca.70103","url":null,"abstract":"Microbial communities often face environmental fluctuations that occur on timescales much shorter than their growth rate or proteome turnover. In such cases, cellular responses are likely driven by rapid changes in metabolite pools, particularly energy nucleotides including ATP, ADP, and AMP. However, robust methods to quantify these metabolites in biofilm-forming microbial communities are lacking. Here, we developed and systematically evaluated a metabolomics workflow for a granular biofilm enrichment, which performs enhanced biological phosphorus removal (EBPR). We combined fast quenching in liquid nitrogen and a boiling water extraction, followed by high-resolution mass spectrometry, using porous graphitic carbon chromatography and 13C-labeled internal reference standards. Among tested procedures, a boiling water extraction was most suitable for extraction of nucleotides, as indicated by stable adenylate energy charge (AEC) and isotopic ratios. The method was exemplified by applying it to an anaerobic–aerobic cycle of a lab-scale EBPR system. Preliminary results showed dynamic changes in AEC and uridylate energy charge (UEC) during acetate uptake and polyphosphate degradation. The established method provides a foundation for performing metabolomic studies of microbial biofilms in general.","PeriodicalId":12842,"journal":{"name":"Helvetica Chimica Acta","volume":"109 10","pages":""},"PeriodicalIF":1.9,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/hlca.70103","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149206127","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Diboron-Embedded Heteroacenes With Systematically Varied Central π-Skeletons and Fusion Modes 具有系统变化中心π-骨架和融合模式的二硼包埋杂间烃

IF 1.9 4区化学

Helvetica Chimica Acta Pub Date : 2026-10-16 Epub Date: 2026-09-20 DOI: 10.1002/hlca.70098

Tatsuya Mori, Sebastian Baumert, Gustavo Fernández, Naoya Aizawa, Takuma Yasuda, Shigehiro Yamaguchi

{"title":"Diboron-Embedded Heteroacenes With Systematically Varied Central π-Skeletons and Fusion Modes","authors":"Tatsuya Mori, Sebastian Baumert, Gustavo Fernández, Naoya Aizawa, Takuma Yasuda, Shigehiro Yamaguchi","doi":"10.1002/hlca.70098","DOIUrl":"https://doi.org/10.1002/hlca.70098","url":null,"abstract":"Diboron-embedded heteroacenes with systematically varied central π-skeletons and fusion modes were synthesized via one-pot cyclative borylation using benzene, thieno[3,2-b]thiophene, or dithieno[3,2-b:2′,3′-d]thiophene cores, affording six derivatives with C2h or C2v symmetry. Their photophysical and electrochemical properties, including absorption and emission wavelengths and sequential reduction behavior during cyclic voltammetry, depend primarily on fusion mode rather than π-core size. Single-crystal analysis, in turn, revealed that molecular symmetry governs packing modes, where C2h derivatives exhibited limited π-overlap due to shielding by mesityl groups on both π-faces, while C2v derivatives formed efficient π–π stacking with large intermolecular overlap despite the presence of the bulky mesityl groups. Notably, one of the derivatives adopted a uniform columnar structure via continuous π–π stacking, establishing a design principle for solid-state organization in boron-embedded heteroacenes.","PeriodicalId":12842,"journal":{"name":"Helvetica Chimica Acta","volume":"109 10","pages":""},"PeriodicalIF":1.9,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/hlca.70098","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149206107","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Photoinduced Electron Donor-Acceptor Complex-Driven Radical Cascade Strategy Toward Sulfonylated Pyrazolones 光致电子供体-受体复合物驱动的磺酰基吡唑酮自由基级联策略

IF 1.9 4区化学

Helvetica Chimica Acta Pub Date : 2026-10-16 Epub Date: 2026-09-30 DOI: 10.1002/hlca.70104

Karan Ramdas Thombare, Alok Bid, Sandip Murarka

引用次数: 0

Flow Synthesis of Muscone-Macrocycles Using the Eschenmoser Rearrangement as a Key Step 以Eschenmoser重排为关键步骤的Muscone-Macrocycles流动合成

IF 1.9 4区化学

Helvetica Chimica Acta Pub Date : 2026-09-17 Epub Date: 2026-08-27 DOI: 10.1002/hlca.70096

Merlin Hauer, Oliver Fifield, Florian Fricke, Alexandra Seeman, Ian R. Baxendale, Johannes Panten, Andreas Kirschning

引用次数: 0

Molybdenum-95 Nuclear Magnetic Resonance Signatures of Molybdenum–Imido Olefin Metathesis Pre-Catalysts 钼-亚胺烯烃分解预催化剂的核磁共振特征

IF 1.9 4区化学

Helvetica Chimica Acta Pub Date : 2026-09-17 Epub Date: 2026-09-03 DOI: 10.1002/hlca.70097

Jérémy Roudin, Felix J. de Zwart, Christoph J. Kaul, Victor Böttcher, Alexander V. Yakimov, Christophe Copéret

{"title":"Molybdenum-95 Nuclear Magnetic Resonance Signatures of Molybdenum–Imido Olefin Metathesis Pre-Catalysts","authors":"Jérémy Roudin, Felix J. de Zwart, Christoph J. Kaul, Victor Böttcher, Alexander V. Yakimov, Christophe Copéret","doi":"10.1002/hlca.70097","DOIUrl":"https://doi.org/10.1002/hlca.70097","url":null,"abstract":"Imido ligands strongly influence high-valent molybdenum olefin-metathesis catalysts, yet their electronic impact remains difficult to quantify. Here, a series of Mo(VI)(NAr)Cl2(OtBuF9)2 pre-catalysts is investigated by 95Mo NMR spectroscopy, catalytic testing, and DFT calculations. Within the aryl-imido family, electron-withdrawing substituents give more shielded 95Mo isotropic shifts and higher activities in 1-nonene self-metathesis after reduction with 1-methyl-3,6-bis(trimethylsilyl)-1,4-cyclohexadiene, whereas electron-donating substituents show the opposite trend. Shielding-tensor, natural chemical shielding, and molecular-orbital analyses show that this correlation is mainly encoded in σ11 through stabilization of the occupied π(Mo═NAr) HOMO, which reduces paramagnetic deshielding. Comparison with oxo and tert-butyl-imido analogues reveals that similar 95Mo shifts can arise from distinct occupied-orbital manifolds, making tensor, and orbital analyses essential for interpreting 95Mo NMR descriptors.","PeriodicalId":12842,"journal":{"name":"Helvetica Chimica Acta","volume":"109 9","pages":""},"PeriodicalIF":1.9,"publicationDate":"2026-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/hlca.70097","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148981454","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Chlorinated Byproducts in Diisocyanates Synthesis From 35Cl Nuclear Quadrupole Resonance 35Cl核四极共振合成二异氰酸酯的氯化副产物

IF 1.9 4区化学

Helvetica Chimica Acta Pub Date : 2026-09-17 Epub Date: 2026-08-25 DOI: 10.1002/hlca.70095

Anna Giorgia Nobile, Shahar Dery, Thomas Maximilian Wurm, Andree Pauschinger, Karsten Seidel, Irene de Wispelaere, Andrei-Nicolae Parvulescu, Christophe Copéret

引用次数: 0

Development of a Continuous-Flow Curtius Rearrangement for the Scalable Preparation of a Protected 3-Aminobicyclo[1.1.1]Pentane-1-carboxylate 连续流动Curtius重排法制备受保护的3-氨基双环[1.1.1]戊烷-1-羧酸盐

IF 1.9 4区化学

Helvetica Chimica Acta Pub Date : 2026-09-17 Epub Date: 2026-09-04 DOI: 10.1002/hlca.70100

Nicola Zanda, Bastien Raison, Pascal Giorgi, Roman Lagoutte, Alec E. Morrison

引用次数: 0

Musical Chemistry and Spectroscopy: Analogies Bridging Two Worlds in Multiple Dimensions 音乐化学与光谱学：在多个维度上连接两个世界的类比

IF 1.9 4区化学

Helvetica Chimica Acta Pub Date : 2026-09-17 Epub Date: 2026-09-08 DOI: 10.1002/hlca.70099

Ricardo J. Fernández-Terán

{"title":"Musical Chemistry and Spectroscopy: Analogies Bridging Two Worlds in Multiple Dimensions","authors":"Ricardo J. Fernández-Terán","doi":"10.1002/hlca.70099","DOIUrl":"https://doi.org/10.1002/hlca.70099","url":null,"abstract":"Music and chemistry are seldom mentioned in the same breath, yet the physical and mathematical principles underpinning both disciplines are deeply intertwined. Here, we explore several points of contact between the two fields, centered on their shared language of frequency, time, and modulation. The analogy between vibrato and the time-dependent frequency fluctuations experienced by molecules in condensed-phase environments is not merely qualitative: both are governed by the same equations of motion for a frequency-modulated oscillator, and their spectral consequences are quantitatively described by the Kubo lineshape model. The ensemble-averaged free induction decay (FID) is the direct spectroscopic analogue of the combined sound of an instrumental section, and its Fourier transform yields the absorption lineshape. Two-dimensional (2D) optical spectroscopies can be understood as tools for reading the molecular score, directly measuring the frequency fluctuation correlation function (FFCF) through the waiting-time evolution of the 2D lineshape. Finally, we discuss how chemical structures have been mapped onto musical compositions, and how NMR FIDs have been used as musical material. These examples illustrate that the relationship between music and chemistry reflects a deeper unity in the way oscillatory phenomena are described and interpreted across both disciplines.","PeriodicalId":12842,"journal":{"name":"Helvetica Chimica Acta","volume":"109 9","pages":""},"PeriodicalIF":1.9,"publicationDate":"2026-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/hlca.70099","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148981483","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","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 Straightforward Transformation of ent-Trachylobanoic Acid Into Functionalized ent-Kauranes Under Conditions of Modified Prevost–Woodward Reaction 在改性Prevost-Woodward反应条件下，对-四氯酸直接转化为功能化的对-呋喃

IF 1.9 4区化学

Helvetica Chimica Acta Pub Date : 2026-09-17 Epub Date: 2026-08-27 DOI: 10.1002/hlca.70093

Marina Grinco, Olga Morarescu, Alic Barba, Nicon Ungur, Veaceslav Kulcițki

引用次数: 0