RSDumitrescu.bsky.social
@rsdumitrescu.bsky.social
Professor of inorganic biochemistry and computational chemistry, president of the Scientific Council at the Babes-Bolyai University
our new paper - with experiments confirming a hypothesis formulated from theory (computational chemistry on simple DFT models, in this case). Catalytic Activation of Molecular Nitrogen by Enzyme-Inspired Metal–Organic Catalysts | The Journal of Physical Chemistry C pubs.acs.org/doi/10.1021/...
Catalytic Activation of Molecular Nitrogen by Enzyme-Inspired Metal–Organic Catalysts
Photocatalytic nitrogen fixation under ambient conditions has emerged as an eco-friendly and energy-efficient alternative to the traditional Haber–Bosch process. Design of catalysts to this end can be...
pubs.acs.org
November 12, 2025 at 1:12 PM
our new paper - with experiments confirming a hypothesis formulated from theory (computational chemistry on simple DFT models, in this case). Catalytic Activation of Molecular Nitrogen by Enzyme-Inspired Metal–Organic Catalysts | The Journal of Physical Chemistry C pubs.acs.org/doi/10.1021/...
our recent paper - privileged to add our protein-oriented insight to a solid set of data from an international team, towards understanding what serum albumin does in the blood when exposed to metal-containing anticancer drug candidates chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/...
Copper(II) Complexes with Schiff Bases Derived from 2‐Pyridinecarbaldehyde N‐Oxide and Amino Acids: Studies on DNA, BSA Binding, Nuclease Activity, and Cytotoxicity
A new type of Schiff-base ligands obtained by a condensation of an N-oxide aldehyde and amino acids is introduced. Synthesis and structures of their copper(II) complexes with promising biological act...
chemistry-europe.onlinelibrary.wiley.com
October 29, 2025 at 4:40 PM
our recent paper - privileged to add our protein-oriented insight to a solid set of data from an international team, towards understanding what serum albumin does in the blood when exposed to metal-containing anticancer drug candidates chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/...
new paper from us on anticancer drug biochemistry - Dacarbazine affects the redox reactivity of hemoglobin | Journal of Porphyrins and Phthalocyanines www.worldscientific.com/doi/abs/10.1...
Journal of Porphyrins and Phthalocyanines
Porphyrins, phthalocyanines and their numerous analogues and derivatives are materials of tremendous importance. The journal represents a timely ongoing research in this field.
www.worldscientific.com
July 26, 2025 at 11:14 PM
new paper from us on anticancer drug biochemistry - Dacarbazine affects the redox reactivity of hemoglobin | Journal of Porphyrins and Phthalocyanines www.worldscientific.com/doi/abs/10.1...
our new paper - a computational contribution to an experimental study led by our experimentalist colleagues on the photosensitizer activity of phenothiazinium derivatives against melanoma cells www.sciencedirect.com/science/arti...
Photosensitizer activity of phenothiazinium derivatives against melanoma cells and DFT insights into singlet oxygen generation
The present study describes three novel phenothiazinium dyes with auxochrome variation designed to modulate their optical and biological properties. T…
www.sciencedirect.com
July 11, 2025 at 9:00 PM
our new paper - a computational contribution to an experimental study led by our experimentalist colleagues on the photosensitizer activity of phenothiazinium derivatives against melanoma cells www.sciencedirect.com/science/arti...
Reposted by RSDumitrescu.bsky.social
new paper from us exploring molecular mechanisms of why sheep are better than cows. As sources of hemoglobin for blood substitutes, that is. Well, for fans of Romanian literature there's also the Ballad of the Little Ewe that says sheep are chill www.sciencedirect.com/science/arti...
Oxygen-carrying proteins employed in blood substitute candidates: differences in interactions with a model antioxidant molecule
Glutaraldehyde-polymerized hemoglobin (poly-Hb) has long been explored as a key candidate for blood substitute compositions, to be used in transfusion…
www.sciencedirect.com
June 11, 2025 at 9:55 PM
new paper from us exploring molecular mechanisms of why sheep are better than cows. As sources of hemoglobin for blood substitutes, that is. Well, for fans of Romanian literature there's also the Ballad of the Little Ewe that says sheep are chill www.sciencedirect.com/science/arti...
Reposted by RSDumitrescu.bsky.social
An excellent long read about how conspiracist attacked one of the worlds leading scientific journals. Both extraordinary and also horribly unsurprising. www.computerweekly.com/news/3665534...
Top science journal faced secret attacks from Covid conspiracy theory group | Computer Weekly
One of the world’s most prestigious general science journals, was the target of a two-year long sustained and virulent secret attack by a conspiratorial group of extreme Brexit lobbyists with high-lev...
www.computerweekly.com
March 21, 2025 at 8:51 PM
An excellent long read about how conspiracist attacked one of the worlds leading scientific journals. Both extraordinary and also horribly unsurprising. www.computerweekly.com/news/3665534...
Proud to see our research on Pt(IV) complexes featured with an awesome cover image in Dalton Transactions pubs.rsc.org/en/content/a...
February 28, 2025 at 8:12 PM
Proud to see our research on Pt(IV) complexes featured with an awesome cover image in Dalton Transactions pubs.rsc.org/en/content/a...
Our new paper: a stable complex between vitamin B12 and chlorite and a nice mimic of the long-sought heme-chlorite reaction intermediate of chlorite dismutase. Includes a comment as to why cobalamin makes a stable chlorite adduct, unlike heme proteins link.springer.com/article/10.1...
The chlorite adduct of aquacobalamin: contrast with chlorite dismutase - JBIC Journal of Biological Inorganic Chemistry
In the reaction of aquacobalamin (aquaCbl) with chlorite, a stable species is detected and assigned as a Co(III)–chlorite complex, Co(III)–OClO−. Its UV–Vis spectrum is almost identical to that of aqu...
link.springer.com
February 9, 2025 at 7:08 AM
Our new paper: a stable complex between vitamin B12 and chlorite and a nice mimic of the long-sought heme-chlorite reaction intermediate of chlorite dismutase. Includes a comment as to why cobalamin makes a stable chlorite adduct, unlike heme proteins link.springer.com/article/10.1...
our new paper: A polyethylene glycol derivatized laccase with improved thermal resistance www.tandfonline.com/doi/full/10....
A polyethylene glycol derivatized laccase with improved thermal resistance
Laccases are versatile and relatively accessible catalysts with practical/industrial applications. Their protein structure entails limited stability under non-native conditions, especially such as ...
www.tandfonline.com
February 7, 2025 at 7:02 PM
our new paper: A polyethylene glycol derivatized laccase with improved thermal resistance www.tandfonline.com/doi/full/10....
our new paper, on Pt(IV) anticancer drug candidates pubs.rsc.org/en/Content/A...
Platinum(II/IV) complexes with N-substituted carboxylate ethylenediamine/propylenediamine ligands: preparation, characterization and in vitro activity
The synthesis and characterization of novel platinum(II) and platinum(IV) complexes derived from unsymmetrical ethylene or propylenediamine derivatives are presented. IR and ESI mass spectroscopy tech...
pubs.rsc.org
January 3, 2025 at 10:44 AM
our new paper, on Pt(IV) anticancer drug candidates pubs.rsc.org/en/Content/A...
our new paper establishes clearly that ferryl myoglobin is protonated. Or maybe not. Depending on pH :) Also, some questions about the ability of TD-DFT to predict UV-vis spectra of heme complexes, and the Gouterman four-orbital model for hemes rdcu.be/d4iLv
Globin ferryl species: what is the nature of the protonation event at pH < 5?
rdcu.be
December 20, 2024 at 1:11 PM
our new paper establishes clearly that ferryl myoglobin is protonated. Or maybe not. Depending on pH :) Also, some questions about the ability of TD-DFT to predict UV-vis spectra of heme complexes, and the Gouterman four-orbital model for hemes rdcu.be/d4iLv
registration open
September 12, 2024 at 5:37 PM
registration open
Our new review paper, and a favorite topic by far - A study of the molecular interactions of hemoglobin with diverse classes of therapeutic agents - www.sciencedirect.com/science/arti...
A study of the molecular interactions of hemoglobin with diverse classes of therapeutic agents
Investigation of the interaction of hemoglobin (Hb) with therapeutic agents may be useful from three perspectives. First, there are a few therapeutic …
www.sciencedirect.com
April 8, 2024 at 4:58 AM
Our new review paper, and a favorite topic by far - A study of the molecular interactions of hemoglobin with diverse classes of therapeutic agents - www.sciencedirect.com/science/arti...
our new paper, with some interesting redox and linkage isomerism in di-iron complexes pubs.acs.org/doi/full/10....
Decarbonylation Products of Binuclear Methylphosphinidene Complexes of Cyclopentadienyliron Carbonyls: Triplet and Quintet Structures Are Favored Energetically over Singlet Structures with Iron–Iron M...
The structures, energetics, and energetically preferred spin states of methylphosphinidene-bridged binuclear cyclopentadienyliron carbonyl complexes MePFe2(CO)nCp2 (n = 4, 3, 2, and 1) related to the ...
pubs.acs.org
March 4, 2024 at 3:55 PM
our new paper, with some interesting redox and linkage isomerism in di-iron complexes pubs.acs.org/doi/full/10....
Fun stuff. Also, fun to see our research cited in this video from ACS Reactions and PBS Digital Studios :) youtu.be/xDaVCyOBSsY?...
Can Science Beat Counterfeit Detector Pens?
Counterfeiting money is wrong. Obviously. But if you wanted to take your totally not real money and fool a counterfeit detection pen, could you do it? We try...
youtu.be
February 5, 2024 at 4:18 PM
Fun stuff. Also, fun to see our research cited in this video from ACS Reactions and PBS Digital Studios :) youtu.be/xDaVCyOBSsY?...
our new paper, on phenothiazine chemistry towards medical applications - Outcomes of folic acid esterification upon the properties of hydrophilic phenothiazinium dyes: New photosensitizers for antimicrobial photodynamic therapy www.sciencedirect.com/science/arti...
Outcomes of folic acid esterification upon the properties of hydrophilic phenothiazinium dyes: New p...
The utilization of three methylene blue analogues containing hydroxyl functionalized auxochrome units (MBA) and their corresponding novel folic acid e…
www.sciencedirect.com
February 1, 2024 at 2:47 PM
our new paper, on phenothiazine chemistry towards medical applications - Outcomes of folic acid esterification upon the properties of hydrophilic phenothiazinium dyes: New photosensitizers for antimicrobial photodynamic therapy www.sciencedirect.com/science/arti...
DeepMind's robot chef cooks up 'novel' materials with a side of controversy www.theregister.com/2024/01/31/a...
February 1, 2024 at 12:13 PM
DeepMind's robot chef cooks up 'novel' materials with a side of controversy www.theregister.com/2024/01/31/a...
a research conference for chemistry and chemical engineering students that I recommend osccluj.ro/internationa...
February 1, 2024 at 10:54 AM
a research conference for chemistry and chemical engineering students that I recommend osccluj.ro/internationa...