In this article, we discuss the role of generative artificial intelligence (AI) in education. The integration AI education has sparked a paradigm shift teaching and learning, presenting both unparalleled opportunities complex challenges. This paper explores critical aspects implementing to advance educational goals, ethical considerations scientific publications, attribution credit for AI-driven discoveries. We also examine implications using AI-generated content professional activities...

Abstract Dimethyl sulfoxide (DMSO) disrupts the hydrogen‐bond networks in water. The widespread use of DMSO as a cosolvent, along with its unusual attributes, have inspired numerous studies. Herein, infrared absorption spectroscopy S=O stretching mode combined molecular dynamics and quantum chemistry models were used to directly quantify DMSO/water populations binary mixtures. Singly H‐bonded species are dominant at 10 mol %, due strong DMSO–water interactions. We found an unexpected...

Significance Calmodulin is essential to life in all eukaryotic cells and serves as a popular model for ion binding activation proteins. transduces complex calcium signals acts on hundreds of effector proteins, but the sensitivity complexity this process make it difficult characterize. Much work uses lanthanides luminescent substitutes study calmodulin other Using ultrafast 2D IR spectroscopy, we show that lanthanide ions perturb finely tuned structure dynamics calmodulin’s sites. The...

Metal carbonyl complexes offer both rich chemistry and complex vibrational spectroscopy due to strong coupling among the stretches. Using two-dimensional infrared (2DIR) spectroscopy, it is possible resolve underlying transitions between energy levels, determine orientations relative magnitude of corresponding transition dipole moments, measure modes anharmonicity potential, probe redistribution as well relaxation other degrees freedom. Measurements on metal have played, continue play, a...

We describe a microscope for measuring two-dimensional infrared (2D IR) spectra of heterogeneous samples with μm-scale spatial resolution, sub-picosecond time and the molecular structure information 2D IR, enabling measurement vibrational dynamics through correlations in frequency, time, space. The setup is based on fully collinear "one beam" geometry which all pulses propagate along same optics. Polarization, chopping, phase cycling are used to isolate IR signals interest. In addition, we...

We present a method to quantitatively determine the secondary structure composition of globular proteins using coherent two-dimensional infrared (2DIR) spectroscopy backbone amide I vibrations (1550–1720 cm−1). Sixteen with known crystal structures were used construct library 2DIR spectra, and fraction residues in α-helix, β-sheet, unassigned conformations was determined by singular value decomposition (SVD) measured spectra. The benchmarked removing each individual protein from set...

We present an approach for parametrizing spectroscopic maps of carbonyl groups against experimental IR absorption spectra. The model correlates electric fields sampled from molecular dynamics simulations with vibrational frequencies and line shapes in different solvents. perform exhaustive search parameter combinations optimize the values ester stretching mode ethyl acetate by comparing to FTIR spectra small molecule eight solvents varying polarities. Hydrogen-bonding require that peaks are...

The introduction of multimodal capabilities in large language models (LLMs) marks a significant advancement the field artificial intelligence (AI). In particular, ability to process and interpret visual data, including complex graphs plots frequently encountered chemistry, expands potential these models. This integration text image processing allows AI tackle broader range problems, especially areas where information is central understanding solving problems. study provides an examination...

Multidimensional infrared (MDIR) spectroscopy of a strongly coupled multilevel vibrational system Mn2(CO)10 (dimanganese decacarbonyl) in cyclohexane solution reveals fully resolved excited state coherences that exhibit slow 0.25–0.50ps−1 decay constants. Detailed analysis the waiting-time dependence certain cross-peak amplitudes shows modulation at multiple frequencies, providing direct signature resulting from coherence transfer. A new transfer is observed as temporally modulated with more...

Two-dimensional infrared spectroscopy (2DIR) is used to measure the viscosity-dependent spectral diffusion of a model vibrational probe, Mn2(CO)10 (dimanganese decacarbonyl, DMDC), in series alcohols with time scales ranging from 2.67 ps methanol 5.33 1-hexanol. Alcohol−alkane solvent mixtures were found produce indistinguishable linear IR spectra, while still demonstrating diffusion. Using exciton characterize inhomogeneous energy landscape, several analogies emerge multichromophoric...

Insulin homodimer associates through the coupled folding and binding of two partially disordered monomers. We aim to understand this dynamics by observing insulin dimer dissociation initiated with a nanosecond temperature jump using transient two-dimensional infrared spectroscopy (2D IR) amide I vibrations. With help equilibrium FTIR 2D IR spectra, systematic study dependence kinetics on concentration, we are able decompose analyze spectral evolution associated different secondary...

Up to 40% of intracellular water is confined due the dense packing macromolecules, ions, and osmolytes. Despite large body work concerning effect additives on biomolecular structure stability, role crowding heterogeneity in these interactions not well understood. Here, infrared spectroscopy molecular dynamics simulations are used describe mechanisms by which modulates hydrogen bonding between dimethyl sulfoxide (DMSO). Specifically, we use formamide dimethylformamide (DMF) as crowders show...

ConspectusLipid membranes are more than just barriers between cell compartments; they provide molecular environments with a finely tuned balance hydrophilic and hydrophobic interactions that enable proteins to dynamically fold self-assemble regulate biological function. Characterizing dynamics at the lipid–water interface is essential understanding complexities from thermodynamics of liquid–liquid phase separation down picosecond-scale reorganization interfacial hydrogen-bond...

Liquid-liquid phase separation is common in complex mixtures, but the behavior of nanoconfined liquids poorly understood from a physical perspective. Dimethyl sulfoxide (DMSO) an amphiphilic molecule with unique concentration-dependent bulk properties mixtures water. Here, we use ultrafast two-dimensional infrared (2D IR) spectroscopy to measure H-bond dynamics two probe molecules different polarities: formamide (FA) and dimethylformamide (DMF). Picosecond are fastest intermediate...

Cells achieve high spatiotemporal control over biochemical processes through compartmentalization to membrane-bound as well membraneless organelles that assemble by liquid-liquid phase separation. Characterizing the balance of forces within these environments is essential understanding their stability and function, water an integral part condensate, playing important role in mediating electrostatic hydrogen-bonding interactions. Here, we investigate ultrafast, picosecond hydrogen-bond...

We provide a systematic characterization of the nanosecond ground-state lactam–lactim tautomerization pyridone derivatives in aqueous solution under ambient conditions using temperature-jump transient 2D IR spectroscopy. Although electronic excited-state has been widely studied, experimental work on ground state, most relevant to chemistry and biology, is lacking. Using spectroscopy, lactam lactim tautomers 6-chloro-2-pyridone 2-chloro-4-pyridone are unambiguously identified by their unique...

Sugars function as bioprotectants by stabilizing biomolecules during dehydration, thermal stress, and freeze-thaw cycles. A buildup of sugars occurs in many organisms upon their exposure to extreme conditions. Understanding sugar's bioprotective effects on membranes is achieved characterizing the H-bond networks at lipid-water interface. Here, we report headgroup populations, structures, dynamics 1,2-dimyristoyl-sn-glycero-3-phosphocholine vesicles concentrated glucose solutions using...

Phospholipid membranes support essential biochemical processes, yet remain difficult to characterize due their compositional and structural heterogeneity. The two most common phospholipid headgroup structures in biological are phosphatidylcholine (PC) phosphatidylethanolamine (PE), but interactions between PC PE lipids underexplored. In this study, we apply ultrafast two-dimensional infrared (2D IR) spectroscopy quantify the effects on interfacial dynamics PC/PE lipid mixtures. Experiments...

Cell membranes are incredibly complex environments containing hundreds of components. Despite substantial advances in the past decade, fundamental questions related to lipid-lipid interactions and heterogeneity persist. This review explores complexity lipid membranes, showcasing recent vibrational spectroscopy characterize structure, dynamics, at membrane interface. We include an overview modern techniques such as surface-enhanced infrared a steady-state technique with single-bilayer...

Thiocyanates, nitriles, and azides represent a versatile set of vibrational probes to measure the structure dynamics in biological systems. The are minimally perturbative, nitrile stretching mode appears an otherwise uncongested spectral region, spectra report on local environment around probe. Nitrile frequencies lineshapes, however, difficult interpret, theoretical models that connect environments with often necessary. However, development both more accurate intuitive remains challenge for...

Ultrabroadband mid-IR continuum pulses can be detected on a single-shot basis using chirped-pulse upconversion. Converting the pulse to visible reduces fractional bandwidth and enables use of silicon CCD camera. Removing cross-phase modulation chirped results in 1cm−1 resolution over 600cm−1 bandwidth.

Abstract Dimethyl sulfoxide (DMSO) disrupts the hydrogen‐bond networks in water. The widespread use of DMSO as a cosolvent, along with its unusual attributes, have inspired numerous studies. Herein, infrared absorption spectroscopy S=O stretching mode combined molecular dynamics and quantum chemistry models were used to directly quantify DMSO/water populations binary mixtures. Singly H‐bonded species are dominant at 10 mol %, due strong DMSO–water interactions. We found an unexpected...