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Conformational Switching Modulates Excited-State Pathways in a Cofacial Perylene Dimer

Controlling excited-state pathways in supramolecular chromophore assemblies is key to designing next-generation optoelectronic and photonic materials. Here we elucidate the conformation-dependent photophysics of a flexible perylene diimide (PDI) dimer, valPDI2, which undergoes reversible solvent-driven switching between two distinct dimer geometries, within the same structure. Exciton-coupling calculations and ultrafast spectroscopy show that in chloroform the dimer adopts an open, weakly cou...

— Erico, Braun 2025-12-15 00:00:00

Low-Cost Mechanism-Informed Features Enable Transferable Enantioselectivity Predictions from Sparse Data

Identifying a catalyst class to optimize the enantioselectivity of a new reaction, either involving a different combination of known substrate types or an entirely unfamiliar class of compounds, is a formidable challenge. Statistical models trained on a reported set of reactions can help predict out-of-sample transformations but often face two challenges: (1) only sparse data are available i.e., limited information on catalyst–substrate interactions, and (2) simple stereoelectronic paramete...

— Matthew S., Sigman 2025-12-15 00:00:00

Synthesis and chiral optical activity of a quadruple heterohelicene based on 1,4-dihydropyrrolo[3,2-b]pyrrole–picene hybrid

The synthesis and structural elucidation of a diaza-quadruple helicene, comprising a double [6]helicene and two [5]helicene subunits fused around a 1,4-dihydropyrrolo[3,2-b]pyrrole (DHPP) core with appended picene units, is reported. The target compound was accessed via a straightforward protocol involving a multicomponent reaction to form a tetraarylpyrrolo[3,2-b]pyrrole (TAPP) intermediate, followed by regioselective bromination and a twofold intramolecular direct arylation. X-ray crystallo...

— Jędrzej, Predygier 2025-12-15 00:00:00

Comparative Analysis of Conventional Cell Lysis Techniques to Electrochemical Cell Lysis using the Liquid Microjunction Surface Sampling Probe

Cell lysis is a critical step in the analysis of cellular components, influencing the efficiency, reproducibility, and integrity of biomolecular extractions. Conventional lysis techniques, including mechanical and chemical methods, often present trade-offs between throughput, scalability, and sample integrity. Mechanical approaches such as bead milling and sonication can efficiently disrupt cells but suffer from issues such as back-mixing and biomolecule degradation. Chemical lysis technique...

— Rosa, Perentesis 2025-12-15 00:00:00

Bidirectional optical control of osteogenesis with a light activated vitamin D mimetic

The secosteroid vitamin D is essential for human health maintaining bone metabolism, calcium homeostasis and immune function via the vitamin D receptor (VDR). VDR activation has complex and cell-specific effects in multiple tissues and spatial control of VDR activity is desirable. Here we developed vitD mimetics bearing a photo-switchable azobenzene motif to achieve spatiotemporal resolution in VDR activation. Structure-guided tuning of regiochemistry and H-bonding motifs provided a potent an...

— Dirk, Trauner 2025-12-15 00:00:00

Protective Role of Germania on (Sn,Ge)-Mixed Halide Perovskites: Interfacial Effects and Excitonic Optical Properties from First-Principles

In this work, we assess the impact of a GeO2 overlayer on the stability and optoelectronic properties of Pb-free Cs(Sn1−xGex)I3 perovskites. First-principles calculations show that Ge incorporation significantly reduces the exciton binding energy with respect to pristine CsSnI3, indicating enhanced electron–hole separation and improved carrier-extraction potential. Guided by this trend, we investigated Cs(Sn1−xGex)I3 (x=0.25) slab models along the stable (001) orientation and analyzed d...

— Koichi, Yamashita 2025-12-15 00:00:00

Sustainable porous collectors for Agricultural Runoff Treatment

Excess nutrient and pollutant loading from agricultural runoff is a key driver of water quality degradation, necessitating low-cost, in-situ treatment solutions. Filtration beds are commonly employed for this purpose, yet the traditional use of sand as the dominant filter medium is increasingly unsustainable due to resource scarcity. Crushed recycled glass is emerging as a promising alternative, though its performance characteristics and potential for surface modification remain underexplored...

— Lovenie, Victor 2025-12-15 00:00:00

Zwitterionic Pnictinidenes in Catalytic Defluorinative Functionalization: Beyond Redox Hydrodefluorination

Functionalization of fluorocarbons represents a central challenge in synthetic chemistry due to the exceptional strength of C–F bonds and the persistence of such compounds in the environment. Herein, we report the catalytic defluorinative functionalization of polyfluoro(hetero)arenes mediated by zwitterionic Sb and Bi species. These bis(NHC)borate-stabilized complexes enable C–X bond formation (X = C, O, S, N, P, Se) under mild conditions and a broad substrate scope. Mechanistic investiga...

— Diego, Andrada 2025-12-15 00:00:00

Strategic lifetime tuning of visible-light absorbing two-coordinate metal complexes

This paper highlights how the singlet and triplet amide ligand centered (LC) and singlet and triplet interligand charge transfer (ICT) states in (carbene)M(amide), M = Cu, Au (cMa) complexes influence the excited state properties when the triplet states are close in energy. To that end we prepared a set of five cMa complexes, in which the amide (i.e. 5H-benzo[b]carbazole, H-BnCz) was kept constant giving a triplet LC energy of ca. 2.15 eV. Four different carbene ligands were selected to dev...

— Mark, Thompson 2025-12-15 00:00:00

Development of next-generation ALDH1B1 inhibitors with enhanced pharmacological and functional properties

ALDH1B1, a mitochondrial aldehyde dehydrogenase, is required for the survival of stem-like colorectal and pancreatic cancer cells and a promising drug target. Isoform-specific guanidinyl agonists of aldehyde dehydrogenases (IGUANAs) have been developed for ALDH1B1, and here we describe structure-activity relationship (SAR) studies of this scaffold. Our findings delineate three ligand domains and their individual SAR profiles: the bicyclic guanidine core, a substituted aryl ring that engages t...

— Daniel, Fernandez 2025-12-14 00:00:00

Closed-Loop Photoreactor Design Enabled by Machine Learning and Digital Twins

Designing efficient photoreactors remains challenging due to the complex interplay of light transport phenomena, shaped by reflection, scattering and absorption processes. Here, we introduce a workflow that integrates ray-tracing digital twins with multi-objective Bayesian optimization to autonomously design photoreactors in a closed-loop manner, achieving high photon capture and uniform irradiation. A digital 3D reactor model was constructed and calibrated using measured emission characteris...

— Aidan, Slattery 2025-12-14 00:00:00

Machine Learning-Guided Photocatalytic Cross-Coupling of Phenols and Heteroaryl Halides

Developing sustainable methods for C(sp2)–C(sp2) bond formation that avoid transition-metals and prefunctionalized substrates remains a central goal in synthetic chemistry. Phenols and N-heteroarenes (azines) are abundant feedstocks, yet their cross-coupling is hindered by mismatched redox properties and competing pathways. Herein, we report a photochemical strategy that couples phenols with heteroaryl halides under redox-neutral conditions using an organic dye photocatalyst and base. Concu...

— Marisa C., Kozlowski 2025-12-14 00:00:00

Microscopic elasticity from MD part II: Liquid interfaces and lipid membranes

Lipid membranes not only play critical roles in many cellular functions, but are also unique in that they have properties of both fluid and elastic materials. While 2D elasticity theories such as Canham-Helfrich-Evans adequately capture the dominant energetics of membrane deformation, a full characterization of the 3D elastic response is necessary to account for the many modes of deformation and the role that lipid structure plays in determining the elastic energy. We use the stress-stress fl...

— Alejandro, Torres-Sánchez 2025-12-14 00:00:00

Microscopic elasticity from MD part I: Bulk solid and fluid systems

Computational modeling such as molecular dynamics (MD) and Monte Carlo simulations can be used to estimate the elastic properties of materials through various stress and strain relationships. Here, we demonstrate the effectiveness of the stress-stress fluctuation (SSF) method to estimate the elastic properties of simple van der Waals and molecular materials. Starting with argon in the solid, liquid, and gas phases, we show that the SSF method gives elastic coefficients and moduli in excellent...

— Alejandro, Torres-Sánchez 2025-12-14 00:00:00

Development of Accurate Transferable Hydrofluorocarbon Refrigerant Force Fields Using a Machine Learning and Optimization Approach

Developing a transferable classical force field (FF) has historically been a lengthy, expert-informed process. In this work, we integrate optimization, machine learning, and data science techniques to accelerate the systematic design and parameterization of transferable FF models. As a demonstration, we create transferable FF models for one- and two-carbon hydrofluorocarbons to accurately model diverse thermophysical properties including saturated liquid and vapor densities, vapor pressure, a...

— Edward, Maginn 2025-12-14 00:00:00

The Second CACHE Challenge - Targeting the RNA-Binding Pocket of the SARS-CoV2 Nonstructural Protein 13 via a consensus-scoring method and FITTED templated docking.

Disrupting the Nonstructural Protein 13 (NSP13) in SARS-CoV2 could provide a great avenue for the treatment of COVID-19 and help reduce its enormous health burden. As part of the second CACHE challenge, we targeted each of two sub-pockets of the NSP13 RNA-binding site via a multi-pronged virtual screening (VS) campaign, using the latest functionality in FITTED, our docking program, part of the FORECASTER drug discovery suite. After extensive structure preparation and docking (rigid, flexible)...

— Nicolas, Moitessier 2025-12-14 00:00:00

Organophosphides: A New Class of Luminophore Ligands for Copper(I) Carbene Based TADF Emitters and Photocatalysts

Luminescent carbene copper(I) charge transfer complexes are promising candidates as molecular materials for photonic applications. Apart from steric and electronic modification of the acceptor carbene, most of the research has been dedicated to amide donor ligands to control the luminescence properties, while the remaining pnictogen group as anionic electron donating ligands is photophysically underrepresented. Herein, we demonstrate that dimesityl phosphide (Mes2P–) as a heavier homologue ...

— Julian J., Holstein 2025-12-14 00:00:00

Self-assembly of a dimeric β-hairpin peptide mimicking the laccase trinuclear site

Minimal metallopeptide complexes offer simplified yet powerful models of metalloenzyme active sites, enabling the investigation of fundamental structure-function relationships. While α-helical constructs are widely employed for this purpose, β-sheet-based scaffolds remain underexplored. In this work, we leverage the intrinsic symmetry of the trinuclear copper center (TNC) binding pocket in a small laccase to design a β-harpin metallopeptide, LacZip. The construct links β-strands through a...

— Claudia, Andreini 2025-12-14 00:00:00

Photooxidative Copper(II) Catalysis for Promoting anti-Markovnikov Hydration of Alkenes

A highly photooxidative capability of a heteroleptic copper(II) complex is developed for promoting anti-Markovnikov hydration of alkenes. The copper(II) complex containing bathophenanthroline and 3,4-dimethoxybenzenethiolate ligands is generated in situ from copper(II) chloride dihydrate. The copper(II) complex is photoexcited under visible-light irradiation and exhibits an excited-state lifetime long enough to oxidize various alkenes. Thereby, anti-Markovnikov hydration is performed under mi...

— Rikako, Masui 2025-12-14 00:00:00

A General-Purpose Software Framework for Automated Molecular Catalyst Design and Reactivity Optimization

Identifying molecular catalysts that simultaneously achieve high selectivity, fast turnover, and robust stability remains a central challenge in homogeneous catalysis. Traditional discovery pipelines rely heavily on labor-intensive experimental screening, while existing automated computational workflows typically focus on a single performance descriptor such as enantioselectivity or rate-determining step. Here we present a next-generation, fully automated workflow for direct catalyst design t...

— Thomas, Mustard 2025-12-14 00:00:00

Structural Characterization of a Desolvated Flexible Porous Coordination Polymer Using MicroED

Flexible porous coordination polymers (PCPs) and metal-organic frameworks (MOFs) that undergo structural changes upon guest removal/uptake have a wide range of potential applications. However, detailed characterization of the guest removal/uptake promoted changes of these materials is frequently limited by the occurrence of crystal fragmentation which produces nanocrystals that are unsuitable for single-crystal X-ray diffraction analysis. An example of this limitation was encountered in our r...

— Yuh, Hijikata 2025-12-14 00:00:00

Discovery of BE2012, a First-in-Class REV-ERBα/β Antagonist with Favorable Selectivity and Pharmacokinetics, and In Vivo Efficacy in Inducing Key Myogenic Factors for Muscle Repair upon Acute Muscle Injury

REV-ERBα is a nuclear receptor transcriptional repressor involved in circadian rhythm, metabolism, inflammation, and myogenesis. Antagonizing REV-ERBα has emerged as a promising therapeutic strategy, yet few compounds with favorable pharmacokinetic profiles have been identified since SR8278. Here, we report the discovery and optimization of BE2012, a 3-aminoquinazolinone antagonist identified through high-throughput screening and refined via systematic structure–activity relationship stud...

— Thomas , Burris 2025-12-14 00:00:00

Computational screening of bioinspired mixed ionic-electronic conductors

In recent years, organic mixed conducting polymers and small systems have shown great potential in bioelectronics, neuromorphic devices and transient electronics. Current mixed conducting materials are mostly derived from pre-existing semiconductors functionalised with polar ethylene glycol side chains; however, these materials still exhibit limited biocompatibility and degradability. Here, we develop a computational/in silico screening pipeline to investigate the potential of bioinspired bui...

— Tristan, Stephens-Jones 2025-12-14 00:00:00

Photoacid-mediated controllable gelation in a chemical reaction cycle

We explore the use of a photoacid in a chemical reaction cycle, which allows for the controlled sol-to-gel transition of a saccharide aldehyde-based self-assembling system. The modulation of the pH with light enables to generate in situ chemical fuels, thus triggering monomer activation and gelation. Our efforts represent a promising step towards dissipative self-assembled systems with a higher degree of spatiotemporal control.

— Rafal, Klajn 2025-12-14 00:00:00

Non-Equilibrium Synthesis of Phase-Pure Cu5Ge2Te7

Tellurides attract enormous attention among the scientific community due to their emerging energy, electronic applications, and diverse crystal chemistry. We report a new ternary telluride, Cu5Ge2Te7, synthesized via both traditional high-temperature synthesis and direct Joule heating synthesis (DJS). The phase was discovered within the product mixture formed by the traditional high-temperature method. An ongoing challenge lies in synthesizing high-quality bulk tellurides, as traditional synt...

— Kedar, Hippalgaonkar 2025-12-14 00:00:00

Ultrafast Electrocatalytic H2 Evolution from Water Achieved by a Cobalt-NHC Catalyst

Development of highly active catalysts for water oxidation and reduction is one of the crucial targets in artificial photosynthesis. However, chemists still face a great challenge in advancing the molecular-level understanding of these catalytic processes. Here we succeed in raising two orders of magnitude in the turnover frequency (TOF) of electrocatalysis for hydrogen evolution reaction (HER) under neutral aqueous conditions (pH 7.0). The title N-heterocyclic carbene cobalt catalyst (Co-NHC...

— Ken, Sakai 2025-12-14 00:00:00

A Crystalline In(II) Hydride

Subvalent hydride species of heavier main-group elements are notoriously elusive due to their intrinsic instability and rapid decomposition, generating hydrogen. Nevertheless, they offer significant potential for small-molecule activation and catalysis. Herein, we report the synthesis and characterization of the first stable, crystalline subvalent indium hydride, supported by bis(N-heterocyclic carbene)borate ligands and featuring a covalent In–In bond. This compound has been comprehensivel...

— Diego, Andrada 2025-12-14 00:00:00

Short-Chain and Long-Chain Fatty Acid-Containing Platinum–Acridine Anticancer Prodrugs: Exploiting Alternative Mechanisms of Cellular Internalization

Platinum–acridine hybrid agents (PAs) represent a mechanistically unique class of DNA-targeted anticancer compounds with superior potency compared to cisplatin, but systemic toxicity has limited their clinical utility. To address this, we have developed platinum(IV) prodrugs of PAs for controlled reductive activation in tumor tissue. Short-chain fatty acid (SCFA) containing derivatives demonstrated to low-nanomolar cytotoxicity in cancer cells expressing human multi-drug and toxin extrusio...

— Bradley, Jones 2025-12-14 00:00:00

Thermal Dearomative Rearrangement of α-(Prop-2-enyl)-α’-(pyridin-2-yl) Malonates Derivatives towards 4H-Dihydroquinolizine.

Reported herein is a thermally induced dearomative rearrangement of α-(aza-heteroaryl)-α’-prop-2-enyl malonate derivatives, af-fording 4H-dihydroquinolizine derivatives (21 examples, 26-94%). The rearrangement assisted by microwave heating afforded diastereoselectively quinolizidine scaffolds, known for their broad biological activities. Experimental results and DFT calculations converge to support a stepwise mechanism initiated by intramolecular [1,4]-addition of the pyridine nitrogen to...

— Emmanuel, Riguet 2025-12-14 00:00:00

Bipolar palladium membrane enabling crossover-free selective proton conduction for coupling Li-mediated nitrogen reduction with water oxidation

Establishing a proton-selective membrane, capable of completely blocking the crossover of other chemical species, has been regarded as a long-sought-after goal for the stable and efficient operation of electrochemical devices. Conventional polymeric membranes suffer from an inherent trade-off between conductivity and selectivity, imposed by their water-mediated proton-conduction mechanism, which precludes crossover-free proton transport. Herein, we demonstrate that a bipolar palladium membran...

— Yun Jeong, Hwang 2025-12-14 00:00:00

A Dynamic Evaluation of Cisplatin Encapsulation into [Pd2L4]4+ Metallacages in Solution

Coordination metallacages (MCgs) enable the design of various host structures capable of binding therapeutic guest molecules such as cisplatin. In this study, well-tempered Metadynamics (WT-MetaD) simulations were performed in explicit water and DMSO to investigate the host-guest interactions between two homoleptic [Pd2L4]4+ cages (endo-C and endo-N), differing in the hydrophilic character of their cavities, and cisplatin. The free-energy landscape revealed that the most stable state of the M...

— Angela, Casini 2025-12-14 00:00:00

Environmental sustainability analysis of hard coating TiN CVD by Life Cycle Assessment

We present an evaluation of the environmental impact of chemical vapor deposition (CVD) of the hard coating material titanium nitride (TiN) using Life Cycle Assessment (LCA). We identify the use of electricity and TiCl4 as the two main environmental hotspots that should be in focus when improving the process to become more environmentally sustainable. We show the high impact of the energy mix on the sustainability of the CVD process and a higher sustainability for a process using NH3 than for...

— Roger, Nilsson 2025-12-14 00:00:00

Measurable Feature Prediction for Estimating Chemical Space Coverage in LC-ESI-HRMS Non-targeted Analysis

The chemical space, encompassing both known and theoretically possible compounds, continues to expand thanks to anthropogenic activity and transformation processes. Understanding which regions of this vast space are experimentally measurable is critical for advancing non-targeted analysis (NTA) for exposomics and environmental monitoring. In practice, comprehensive NTA by LC–ESI–HRMS is constrained by method-specific conditions, such as retention and ionization, thus defining subspace reg...

— Saer, Samanipour 2025-12-14 00:00:00

A Chlorooxime-Mediated Amidination of N-Terminus for Late- Stage Modifications of Unprotected Peptides

Late-stage modification of unprotected peptides at amine functionality has emerged as a powerful tool for modulating peptide structure and functions. However, existing methods often suffer from the challenge of controlling chemo- and site-selectivity due to the competition between the amine at the N-terminus and lysine side chain. Herein, we report a chlorooxime-mediated strategy for N-terminus-selective amidination of unprotected peptides that outcompetes lysine ε-amines. This strategy enab...

— Fen-Er, Chen 2025-12-14 00:00:00

Orthogonal Electrochemical Amine Deprotection: Towards Sustainable Strategies for Peptide Synthesis

Deprotection steps employed in peptide synthesis often require harsh conditions and excess reagents, limiting substrate compatibility and sustainability. Electrochemically cleavable protecting groups (e-PGs) offer an attractive alternative. Here, we report the use of 1,3-dithiane-based e-PGs for orthogonal protection of lysine ε-amines in peptide synthesis. Under constant potential electrolysis, deprotection proceeds selectively and orthogonally to other common amino acid protecting groups (...

— Saurabh, Ahirwar 2025-12-14 00:00:00

Shape-induced d-band center optimization of PdBiNi nanocubes for exclusive oxidation of glycerol into C3 products

The electrocatalytic oxidation of glycerol toward high-value three-carbon (C3) products on Pd-based catalysts presents a promising strategy for upgrading and conversion of glycerol, a major carbon-rich byproduct from biodiesel manufacturing. However, C3 intermediates often adsorb too tightly on Pd-based catalyst surfaces during glycerol oxidation, leading to C-C bond cleavage and downstream formation of C2 and C1 products. Herein, cubic-shaped PdBi nanoparticles with tunable Ni-doping levels ...

— Zhengxiao, Guo 2025-12-14 00:00:00

PaCS-perm: Insights into Membrane Permeation by Drugs using Parallel Cascade Selection Molecular Dynamics

Drug efficacy is often limited by low membrane permeability that restricts access to the site of action. However, improving drug permeation is limited by our understanding of the membrane permeation process, which is complex, and there is a need for improved, predictive models of model membrane permeation. In this study, we investigate the combination of parallel cascade molecular dynamics (PaCS-MD) simulations with umbrella sampling (US) to calculate the free energy barriers to permeation. W...

— Weishuai, Ma 2025-12-13 00:00:00

Insights into overall photocatalytic water splitting through simultaneous in situ H2 and O2 measurements

Photocatalytic overall water splitting is a promising pathway to green hydrogen but also presents unique research challenges due to the need to detect both gaseous products (H2 and O2). While gas chromatography (GC) is the most commonly employed method in this context, it faces multiple shortcomings: low time resolution as well as the need to alter the reaction conditions (vacuum or inert gas flushing) to feed the products in to the GC, which limits the extent to which obtained insights can b...

— Jacob, Schneidewind 2025-12-12 00:00:00

Gas Permeation Properties of Amorphous Zeolitic Imidazolate Framework Membranes Made by Atomic/Molecular Layer Deposition

Amorphous metal-organic framework (MOF) membranes are desirable because they may retain some of the molecular sieving properties of their crystalline counterparts while being free of grain boundary defects, which often hinder the consistent achievement of high membrane performance. However, current methods, like melting and compression, for fabricating amorphous MOF membranes involve complex multi-step processes that can be challenging to scale. Here, we utilize atomic/molecular layer deposit...

— Michael , Tsapatsis 2025-12-12 00:00:00

Germanium-Organic Frameworks: Metalloid-Metalloid Bonding as A Covalent Switch for Linker Redox and Conductivity

The diverse structures of metal-organic frameworks (MOFs) originate from the coordination chemistry of ionic metal-ligand bonds, while covalent organic frameworks (COFs) leverage covalent bonding. Between these extremes, extended structures based on metalloids are comparatively rare. This paucity obscures how the chemistry of the metalloid elements, intermediate between the metals and the main group, manifests in the properties of new porous materials. This study presents the chemistry of new...

— John S., Anderson 2025-12-12 00:00:00

Magic Diamond: Covalent Bond Formation of Melamine and other Amines on Nanodiamond Surfaces

High-temperature high-pressure (HPHT) nanoscale diamond (ND) is a host of the nitrogen vacancy (NV) center, a quantum bit that allows for a wide range of quantum sensing capabilities including magnetometry, electrometry and thermometry using all-optical techniques at room temperature. Yet challenges remain in diversifying the chemical modalities for covalent bond formation on diamond surfaces, which is typically limited to carboxylate-based chemistry but has been recently expanded. Amine term...

— Kent, Irwin 2025-12-12 00:00:00

Functionalization-Induced Phase Separation Produces MWNTs/UHMWPE Microspheres with Size-Dependent Nanotube Localization

Functionalization-induced solubility collapse produces MWNTs/UHMWPE microspheres with size-dependent architectures. A bifunctional linker and a coupling agent trigger rapid phase segregation and MWNTs interfacial migration, yielding CNT-rich droplets. Larger droplets develop CNT-enriched shells, while smaller ones retain CNTs in their cores. SEM, TEM, and XRD confirm unique core-shell-corona structures.

— Moulay Rachid, Babaa 2025-12-12 00:00:00

Depth-Resolved Lithium Isotope Fractionation as a Diagnostic of Interphase Evolution and Degradation in Lithium Ion Batteries

Lithium isotopic fractionation is well-established in dynamic geochemical systems; however, its role in lithium-ion batteries (LIBs) remains uninvestigated. Herein, we report the first depth-resolved demonstration that isotopic separation occurs during Li-ion cell operation whose magnitude depends on the cycling history. Using depth-resolved glow discharge mass spectrometry, we monitored the 7Li/6Li ratio in LiNi0.333Mn0.333Co0.333O2 (NMC111)||graphite coin cell electrodes at defined life-cyc...

— Sebastian, Recknagel 2025-12-12 00:00:00

Nanomolar Sensitivity Chirality Transfer from Designed Helical Repeat Proteins to Achiral CdS Nanorods

Bridging chirality across length scales with inorganic-organic hybrid materials is a rapidly expanding area of research. Here, we establish asymmetry at CdS nanorod (NR) interfaces using a designed helical repeat protein bearing four cysteine residues (DHR-4Cys). Hydrophobic NRs are transferred into water with glycine, then glycine is displaced by DHR-4Cys, leveraging the thiophilicity of surface cadmium. Circular dichroism (CD) in the visible, coincident with CdS electronic transitions, reve...

— David, Baker 2025-12-12 00:00:00

Gas chromatography-mass spectrometry (GC-MS) in the plant metabolomics toolbox. Part 2: Analysis of polar low molecular weight metabolites

Decades ago, the introduction of GC-MS marked a significant advancement in primary plant metabolites studies. Here, in Part 2 of the review, we will delve into critical aspects of the workflow, spanning the selection of an analytical platform, sample preparation, analytical acquisition, and data processing and interpretation. The exceptional separation capabilities of GC, characterized by remarkable chromatographic resolution, rendered it ideal for analysis of the complex plant metabolome, in...

— Andrej , Frolov 2025-12-12 00:00:00

Exploring the polarization performance of the polysulfide redox couple in a reference electrode-equipped single electrolyte flow cell

Flow batteries that employ polysulfide species are often limited by their sluggish redox reaction kinetics. While a number of catalyst/electrode options have been explored to lower activation overpotentials, progress has been challenged by the need to disentangle electrode losses from full cell performance as well as by the breadth of electrode, electrolyte, and operation conditions pursued. Here, we systematically characterize electrode performance for the polysulfide redox reaction as a fun...

— Fikile, Brushett 2025-12-12 00:00:00

Thermokinetic Description of the Heat Capacity Change at the Glass Transition: 1. Can Glass Transition Kinetics Be Adequately Described by a Single Activation Energy? 2. Can the Glass Transition Temperature Be Predicted from Basic Physical Parameters? 3. What is the Role of Heat Capacity in the Vogel-Fulcher-Tammann Equation Describing Primary Relaxation in Glasses?

By coupling non-equilibrium thermodynamics with solid-state kinetics, a description of the heat capacity (cP) evolution as a function of the temperature (T) is derived that can be used to supplant commonly used empirical models. In addition to accurately describing the characteristic sigmoidal shape in the vicinity of the glass transition temperature (Tg), the proposed equation predicts a relaxation enthalpy peak to arise when either the enthalpy change of system relaxation is large or when ...

— Peter, Skrdla 2025-12-12 00:00:00

On Trapping of Ions Using Low E/N Rotating Electric Fields: Towards All-Pressure Ion Confinement

Here, we introduce a novel approach that enables ion confinement at atmospheric pressure and extends it generally low E/N conditions. We show ion trapping at atmospheric pressure by suspending ions within dynamic rotating electric fields. More broadly, we report ion confinement under low E/N conditions with applied voltages rotating at kHz frequencies, where ions are thermalized and confined by being constantly passed over by a rotating wave that causes them to move angularly forward and roll...

— Yehia, Ibrahim 2025-12-12 00:00:00

The Potential of Machine Learning in Oligonucleotide Therapeutics Manufacturing

Approvals of synthetic oligonucleotide therapeutics are sharply rising and with it the challenges to achieve sustainable manufacturing strategies. These chain-like molecules are commonly assembled via solid phase oligonucleotide synthesis (SPOS), a method that allows for quick and efficient sequential additions of monomers up until the desired molecule length. A primary challenge in SPOS is the meticulous control of the multitude of variables at each additional step to avoid formation of comp...

— Emma, Green 2025-12-12 00:00:00

In-Situ Surface Reconstruction and Carbon Encapsulation for High-Performance Pt-Lean Catalysts beyond Conventional Core–Shell Designs

Over recent decades, extensive efforts have aimed to enhance fuel cell performance. Pt alloys with 3d transition metals are particularly attractive for boosting oxygen reduction reaction (ORR) activity via strain and electronic effects. However, their structural instability and high Pt usage hinder practical application. Here, we report a highly active and durable catalyst with reduced Pt cost, achieved by integrating a Pt-segregated surface and porous carbon shell. Unlike conventional polyme...

— Namgee, Jung 2025-12-12 00:00:00