Firoz Khan, Ph.D.

Spin-Vibronic Effect in Photoinduced Electron Transfer The spin-vibronic effect (SVE) accelerates quantum-mechanically forbidden electronic transitions, but experimental manifestations of this phenomenon remain limited. In this contribution, the role of SVE in photoinduced electron transfer (PET) dynamics is probed by coherent vibrational wavepacket (CVWP) motions in Pt(II) dimer-naphthalene diimide donor–acceptor complexes. Metal–metal-to-ligand charge-transfer (MMLCT) excitation of the donor triggers ballistic PET, driving the molecule away from equilibrium. The SVE then directs the PET trajectory from the 1MMLCT excited state to an intermediate ligand-centered triplet state, modulating the CVWP dynamics along the reaction coordinates. Herzberg–Teller type oscillations indicate that the Pt–Pt stretching vibration, arising from the formation of the excited triplet intermediate, serves as the reaction coordinate for charge separation. Our experimental findings advance the understanding of the interplay between electronic, vibrational, and spin degrees of freedom in ultrafast photoactivated processes.

"Spin-Vibronic Effect in Photoinduced Electron Transfer"
An investigation of Pt(II) dimer systems that undergo metal-metal-to-ligand charge-transfer. Sarah Kromer and Nicolas Durand collaborated with the Chen group at Argonne National Labs!
Read more about it here: pubs.acs.org/doi/10.1021/...

Above the Energy Gap Law: Heavy Chalcogenide Substitution in NIR II-Emissive Diradicaloid Qubits Near-infrared (NIR, 700–1700 nm)- and telecom (∼1260–1625 nm)-emissive molecules are good candidates for biological imaging and quantum sensing applications, respectively; however, bright low energy e...

NIR lumiphores, now with more Se! Check out the groups latest paper in @pubs.acs.org Central Science. Lauren showed us how you can expand the use of heavy chalcogenides to shift emission deep into the NIR-II region (>1300 nm) while keeping good PLQYs.

pubs.acs.org/doi/10.1021/...

Chemical kinetics course - YouTube Chemical kinetics course Class 1: Historical introduction Class 2: 0-2nd order, equilibrium (analytical) Class 3: Reactions in series/parallel, Michaelis-Men...

Want to learn chemical kinetics? Watch my online course (master level): youtube.com/playlist?list=PLMOBJket5g1zsNs-a8hlJ7ImVcWE180KR&si=FhqmABYzb2MDS-p3

Early career group leaders We appoint researchers from across biology and biomedicine to set up their first groups at the Crick.

The @crick.ac.uk is recruiting Early Career Group Leaders

- Lab set-up, research costs, salaries for up to 5 researchers
- Support for up to 12 years
- Access to our core facilities
- Competitive salary
- Fantastic colleagues
- All areas of biology

Deadline 27 Nov

www.crick.ac.uk/careers-stud...

#Postdoc #VirginiaTech

Scaling up the production of fungal perylenequinones and investigating their biosynthesis through stable isotope labeling - Microbial Cell Factories Background Perylenequinones, such as hypocrellins and hypomycins, are fungal secondary metabolites with potential for pharmaceutical and industrial applications due to both their physical and biological properties. This study focused on their sustainable production. Additionally, stable isotope labeling was used to probe the biosynthesis of these compounds, demonstrating how sugars are likely incorporated into the perylenequinone scaffold. Methods Shiraia sp. (strain MSX60519; Shiraiaceae, Pleosporales) was cultivated under varying nutrient conditions to evaluate the production of perylenequinones, with sugars serving as primary carbon sources. Five metabolites were isolated (from oatmeal cultures) using environmentally friendly solvent-based techniques, and the process was further optimized to maximize yields. High-performance liquid chromatography (HPLC) and liquid chromatography–high-resolution mass spectrometry (LC–HRMS) were employed to detect, characterize, and quantify the major compounds. Furthermore, feeding experiments were performed using 13C-labeled glucose, with droplet probe mass spectrometry used to monitor stable isotope incorporation in situ. Results This study yielded three key findings. First, the production of perylenequinones was significantly enhanced by supplementing fermentation media with sugars, and disaccharides significantly enhanced the production of perylenequinones compared to monosaccharides. Optimizing sugar concentrations during the fermentation further influenced the profile of secondary metabolites. Second, stable isotope labeling experiments confirmed that sugars are the primary building blocks of perylenequinones, as noted by tracing 13C-labeling into ent-shiraiachrome A (1). Finally, a green, scalable, and sustainable strategy for producing these compounds on the gram scale was developed by optimizing fermentation conditions, refining purification methods, and improving extraction efficiency. Conclusion These findings provide critical insights into optimizing fermentation conditions for the scaled and sustainable production of perylenequinones. This approach offers a cost-effective and environmentally friendly pipeline for harnessing these valuable compounds, paving the way for broader pharmaceutical and industrial applications. Graphical abstract

New publication alert!
microbialcellfactories.biomedcentral.com/articles/10....

Scaling up natural products is a pivotal goal in our lab. With scaled-up pure compounds, one can begin to test the various applications of fungal natural products
@uncgresearch.bsky.social

Today’s Sheldon Shore Lecture

“New Perspectives on the Chemistry of the Rare Earths: Structures, Bonding, and Reactivity”

Dr. Eric Schelter, University of Pennsylvania

4:10 — 5:10PM
CBEC 130

Congratulations🎉✌️

Magnetic Hysteresis up to 73 K in a Dysprosium Cyclopentadienyl-Amide Single-Molecule Magnet Single-molecule magnets (SMMs) based on dysprosocenium cations, [Dy(CpR)2]+ (CpR = substituted cyclopentadienyl), have set record effective energy barriers to magnetic reversal (Ueff) and temperatures...

Combining the effects of amides and cyclopentadienyl ligands in a dysprosium single-molecule magnet. Please see the link for our latest collaborative work with @nfchilton.bsky.social group now published in @jacs.acspublications.org, led by Dr Jack Emerson-King:
pubs.acs.org/doi/full/10....

Next week.

The Radical S-Adenosyl-l-methionine Enzyme HydE Forms an Fe(I)Fe(I) Dimer En Route to the [FeFe] Hydrogenase H-Cluster [FeFe] hydrogenases are highly efficient metalloenzymes that catalyze hydrogen conversion via a sophisticated active site cofactor known as the H-cluster. Biosynthesis of its [2Fe]H subcluster, which ...

is the dimer core of the H-cluster of FeFe hydrogenase formed by rSAM chemistry in HydE?

pubs.acs.org/doi/full/10....

Evaluation of biocatalysts for artificial photosynthesis Catalyzing the light-driven reduction of carbon dioxide and/or protons is an important approach to storing light energy in the form of chemical fuels …

Happy to share our recent publication presenting methods for photocatalytic hydrogen and carbon dioxide reduction using biomolecular catalysts! Check it out by following this link! www.sciencedirect.com/science/arti...

Congratulations🎉🥳

Research Associate in Synthetic Inorganic Chemistry:Manchester As an equal opportunities employer we welcome applicants from all sections of the community regardless of age, sex, gender (or gender identity), ethnicity, disability, sexual orientation and transgender status. All appointments are made on merit.

We are recruiting! Two 24 month postdoc positions are available with @m-l-baker.bsky.social and I, one mainly synthesis and the other measurements of lanthanide SMMs. Links below, deadline 19th Aug - please re-post:
www.jobs.manchester.ac.uk/Job/JobDetai...
www.jobs.manchester.ac.uk/Job/JobDetai...

Brightening New Horizons: Luminescent Transition Metal Complexes in Optical Imaging and Theranostic Applications Small-molecule fluorescent probes have revolutionized fluorescence imaging in both biological research and clinical applications, allowing the exploration of intricate cellular processes and aiding di...

Brightening New Horizons: Luminescent Transition Metal Complexes in Optical Imaging and Theranostic Applications | ACS Central Science @pubs.acs.org

pubs.acs.org/doi/10.1021/...

Our Outlook focuses on emerging topics that we believe will shape the future of the field

⚗️🧪💡🔦 🔬🦠💊

#Relaxation #PulseEPR #Vanadium #Chemistry #QuantumMaterials #InorganicChemistry
#MolecularQubits #Qubits #SpinLattice #Dynamics
@bhkenlo.bsky.social @ohiostatepress.bsky.social

Ligand-Nuclei Effects on Spin Relaxation in V(IV) Complexes Understanding how magnetic nuclei affect spin relaxation is vital for designing robust spin coherence in magnetic materials and molecules. A key question is the extent that magnetic nuclei close to a ...

📢🚨New Publication Alert🚨
Happy to contribute to this one from #OhioState

This study investigates how the ligand-based monatomic functional groups influence V(IV) spin-lattice and phase-memory dynamics.
tinyurl.com/43m5h8w6
@pubs.acs.org #inorganicChemistry #ZadLab

That's an interesting work!

Enzymatic Stereodivergent Synthesis of Azaspiro[2.y]alkanes Azaspiro[2.y]alkanes are increasingly valuable scaffolds in pharmaceutical drug discovery; however, an asymmetric catalytic method for their synthesis remains unknown. Here, we present a stereodiverge...

I'm really proud of this work by Jae Kennemur and Yueming Long. #Enzymes rock, with some help from #directed evolution to do chemistry not known in nature (and really hard for humans, too). @caltechcce.bsky.social
pubs.acs.org/doi/10.1021/...

⚡️Check out “Characterizing Ultrafast Intersystem Crossing Pathways in Molecular Pt Dimers Using Time-Resolved Wide-Angle X-ray Scattering” a recent publication featuring work from our member Sarah Kromer.

Read more here:
doi.org/10.1021/acs....

A Rhenium Bis- tetramethylphenanthroline Catalyst for CO2 Reduction to Formate Catalytic CO2 reduction reactions featuring high selectivity toward formate are relatively rare. In some homogeneous molecular CO2-reducing electrocatalysis, using triethylamine (TEA) and isopropanol ...

Check out “A Rhenium Bis- tetramethylphenanthroline Catalyst for CO2 Reduction to Formate”. By our group members Dr. Reem Alameh, Dr. Sarah Arteta, Dr. Nicolas Durand, and Dr. Hala Atallah

Great work everyone! Read more here:
doi.org/10.1021/acs....

Mondays have never been more interesting with this R1 value 😃
#Crystallography #XRD

Rapid Intermolecular C-H Activation of Aromatic Substrates at a Cationic, Electrophilic Molybdenum (VI) Nitrido Complex: Mechanistic Nuance in C-H Amination When the cationic, octahedral terminal nitrido complex of Mo(VI) supported by a diborate pentadentate ligand is generated in the absence of trapping nucleophiles, it rapidly activates the C(sp2)-H bon...

Rapid Intermolecular C-H Activation of Aromatic Substrates at a Cationic, Electrophilic Molybdenum (VI) Nitrido Complex: Mechanistic Nuance in C-H Amination | ChemRxiv - doi.org/10.26434/che...
Another opus from Chris 😎

#Copper #TMPA #Mononuclear #Dinuclear #Equilibrium #Solvent #NMR #Redox #Thermodynamic #InorganicChemistry
#UNCG #UNCGreensboro
@bhkenlo.bsky.social @acs.org

Dimerization in TMPA-Based Copper(I) Complexes: Implications for Redox Kinetics and Thermodynamics Copper complexes of tris(2-pyridylmethyl)amine (TPA, TMPA, or TPMA) are widely studied for their redox activity and catalytic versatility. This study investigates solvent-dependent speciation of coppe...

🚨💥New Publication Alert💥🚨

Investigation of the redox and electron transfer kinetics of TMPA-supported mono versus dimeric copper(I) complexes and offers insights into how the nuclearity affects the redox behavior.

tinyurl.com/4ayutfmy
@hematianlab.bsky.social
#InorganicChemistry @pubs.acs.org

NICER team group photo at the second retreat, showing researchers gathered together, reflecting collaboration and progress in energy research.

Grateful for a productive and energizing second #NICER retreat! Exciting research progress, meaningful collaboration, and a team truly coming together to drive impact. #NatureInspiredSolutions #EnergyResearch ⚡️🌱✨🔋☀️

2-5 pm: Panic for the next meeting.

Check out this fantastic conference in Boston, June 23, featuring the Ono Pharma Awardees in chemical biology, registration open now!

Interesting!

Catalytic Activity and Mechanistic Investigations of the Nitrido Molybdenum Complex [(PPP)Mo(≡N)(I)] in the Electrochemical Reduction of N2 | Inorganic Chemistry pubs.acs.org/doi/10.1021/... Mézailles, Bucher, and co-workers
@InorgChem
#molybdenum #nitrido #catalysis #N2 #redduction