Although reliable rechargeable batteries represent a key transformative technology for electric vehicles, portable electronics, and renewable energy, there are few nondestructive diagnostic techniques compatible with realistic commercial cell enclosures. Many battery failures result from the loss or chemical degradation of electrolyte. In this work, we present measurements through enclosures that allow quantification electrolyte amount composition. The study employs instrumentation developed...

Optimization of nuclear spin hyperpolarization experiments often requires varying one system parameter at a time (or several parameters in nontrivial manner) as well multiple repetitions signal measurements. Use automated robotic systems can significantly streamline this optimization process, accelerating data acquisition and improving reproducibility the long term. In work we show an exemplary built on open-source components demonstrate benchtop ultralow-field NMR employing photo-CIDNP...

Fundamental weak interactions have been shown to violate parity in both nuclear and atomic systems. However, observation of violation a molecular system has proven an elusive target. Nuclear spin dependent contributions the interaction are expected result energetic differences between enantiomers manifesting magnetic resonance (NMR) spectra as chemical shift order parts-per-trillion parts-per-billion (μHz mHz) for high-Z nuclei. This method uses simultaneous measurements diastereomeric...

A method is implemented to perform “fast” adiabatic variation of the spin Hamiltonian by imposing constant adiabaticity condition. The applied improve performance singlet-state Nuclear Magnetic Resonance (NMR) experiments, specifically, for efficient generation and readout singlet order in coupled pairs applying adiabatically ramped RF-fields. Test experiments have been performed on a specially designed molecule having two strongly 13C spins selectively isotopically labelled glycerol...

The field of magnetic resonance imaging with hyperpolarized contrast agents is rapidly expanding, and parahydrogen-induced polarization (PHIP) emerging as an inexpensive easy-to-implement method for generating the required biomolecules. Hydrogenative PHIP delivers proton spin order to a substrate via chemical addition H2 in spin-singlet state, but prior it typically necessary transfer heteronucleus (usually 13C) molecule. Adiabatic ultralow manipulations can be used induce transfer, this...

Zero- to ultralow-field nuclear magnetic resonance (ZULF NMR) is a rapidly developing form of spectroscopy that provides rich spectroscopic information in the absence large fields. However, signal acquisition still requires mechanism for generating bulk moment detection, and currently used methods only apply limited pool chemicals or come at prohibitively high cost. We demonstrate parahydrogen-based SABRE (signal amplification by reversible exchange)-Relay method can be as more general means...

Long-lived states (LLS) involving pairs of magnetically inequivalent but chemically equivalent proton spins in aliphatic (CH_{2})_{n} chains can be excited by simultaneous application weak selective radio frequency fields at n chemical shifts polychromatic spin-lock induced crossing. The LLS are delocalized throughout the mixing intrapair singlet and excitation comprising products four six spin operators. measured lifetimes T_{LLS} a model compound about 5 times longer than T_{1} strongly...

Algorithmic cooling methods manipulate an open quantum system in order to lower its temperature below that of the environment. We achieve significant ensemble nuclear spin-pair systems by exploiting long-lived singlet state, which is antisymmetric superposition "up" and "down" Zeeman states. The effect demonstrated magnetic resonance experiments on a molecular containing coupled pair near-equivalent 13C nuclei. populations are subjected repeating sequence cyclic permutations separated...

In nuclear magnetic resonance (NMR), the lifetimes of long-lived states (LLSs) are exquisitely sensitive to their environment. However, number molecules where such can be excited has hitherto been rather limited. Here, it is shown that LLSs readily in many common contain two or more neighboring CH 2 groups. Accessing does not require any isotopic enrichment, nor stereogenic centers lift chemical equivalence protons. were a variety metabolites, neurotransmitters, vitamins, amino acids, and...

Zero- to ultralow-field nuclear magnetic resonance (ZULF NMR) allows molecular structure elucidation via measurement of electron-mediated spin-spin J-couplings. This study examines zero-field J-spectra from molecules with quadrupolar nuclei, exemplified by solutions various isotopologues ammonium cations. The spectra reveal differences between upon extracting precise J-coupling values pulse-acquire measurements. A primary isotope effect, △J=γ14N/γ15NJ15NH-J14NH≈-58 mHz, is deduced analysis...

Dynamic nuclear polarization (DNP) is a magnetic resonance (NMR) hyperpolarization technique that mediates transfer from unpaired electrons to nearby spins, which then relay the more remote spins in bulk via spin diffusion. Despite widespread applications of DNP, role these has never been properly characterized because they were hitherto believed be unobservable or ‘hidden’ due severe shifts line broadening strong electron-nuclear couplings, i.e., their NMR resonances are ‘hypershifted’...

Photochemically induced dynamic nuclear polarization (photo-CIDNP) is a method to hyperpolarize spins using light. In most cases, CIDNP experiments are performed in high magnetic fields and the sample irradiated by light inside resonance (NMR) spectrometer. Here we demonstrate photo-CIDNP hyperpolarization generated Earth's field under zero- ultralow-field (ZULF) conditions. Irradiating containing tetraphenylporphyrin para-benzoquinone for several seconds with light-emitting diodes produces...

In this paper we present a new fast and free open‐source software package ANATOLIA for the total lineshape analysis of NMR spectra. It performs fitting experimental 1D spectra based on quantum mechanical formalism. The program serves determination J ‐coupling constants elucidation complicated multiplet structures including strongly coupled systems. utilizes Lorentzian broadening approach local minima suppression. is developed in C++ language standard personal computers. adapted to work with...

We present approaches for an efficient excitation of singlet-triplet coherences in pairs nearly-equivalent spins. Standard Nuclear Magnetic Resonance (NMR) pulse sequences do not excite these at all or with very low efficiency. The single quantum coherences, here termed the outer correspond to lines intensity NMR spectrum a strongly-coupled spin pair (they are sometimes referred as "forbidden transitions"), whereas zero-quantum inner have direct spectral manifestation. In study, we...

Rechargeable batteries represent a key transformative technology for electric vehicles, portable electronics, and renewable energy. Despite enormous developments in battery research, there are few nondestructive diagnostic techniques compatible with realistic commercial cell enclosures. Many failures result from the loss or chemical degradation of electrolyte. Here we show measurements through enclosures that allow quantification electrolyte amount, composition, potentially degradation. This...

Dynamic nuclear polarization (DNP) enhances magnetic resonance (NMR) sensitivity by transferring from unpaired electrons to nuclei, but nearby spins are difficult detect or “hidden” due strong electron-nuclear couplings that hypershift their NMR resonances. Here, we these hypershifted in a frozen glycerol-water mixture doped with TEMPOL at ~1.4 K using spin diffusion enhanced saturation transfer (SPIDEST), which indirectly reveals spectrum. Additionally, directly observe 1 H lines spanning...

Abstract Long-Lived spin States (LLSs) hold a great promise for sustaining non-thermal order and investigating various slow processes by Nuclear Magnetic Resonance (NMR) spectroscopy. Of special interest such application are molecules containing nearly equivalent magnetic nuclei, which possess LLSs even at high fields. In this work, we report an LLS in trans- 15 N, N′-azobenzene. The singlet state of the N pair exhibits long-lived character. We solve challenging problem generating detecting...

We provide a detailed evaluation of nuclear magnetic resonance (NMR) parameters the cis- and trans-isomers azobenzene (AB). For determining NMR parameters, such as proton–proton proton–nitrogen J-couplings chemical shifts, we compared spectra three different isotopomers AB: doubly 15N labeled azobenzene, 15N,15N′-AB, two partially deuterated AB with single atom. total lineshape analysis spectra, used recently developed ANATOLIA software package. The determined allowed us to optimize...

Long-lived states (LLSs) have lifetimes

Photochemically induced dynamic nuclear polarization (photo-CIDNP) enables spin ordering by irradiating samples with light. Polarized spins are conventionally detected via high-field chemical-shift-resolved NMR (above 0.1 T). In this Letter, we demonstrate in situ low-field photo-CIDNP measurements using a magnetically shielded fast-field-cycling setup detecting Larmor precession atomic magnetometers. For solutions comprising mM concentrations of the photochemically polarized molecules,...

Zero and ultralow-field nuclear magnetic resonance (ZULF NMR) is an NMR modality where experiments are performed in fields at which spin-spin interactions within molecules materials stronger than Zeeman interactions. This typically occurs external of microtesla strength or below, considerably smaller Earth's field. In ZULF NMR, the measurement couplings spin relaxation rates provides a nondestructive means for identifying chemicals chemical fragments, conducting sample process analyses. The...