A5005175169- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Crystallography and molecular interactions
- Photosynthetic Processes and Mechanisms
- Inorganic Chemistry and Materials
- Perovskite Materials and Applications
- Organometallic Complex Synthesis and Catalysis
- Spectroscopy and Quantum Chemical Studies
- Photonic and Optical Devices
- Porphyrin and Phthalocyanine Chemistry
- Semiconductor Lasers and Optical Devices
- Crystal structures of chemical compounds
- Magnetism in coordination complexes
- Nanocluster Synthesis and Applications
- Advancements in Battery Materials
- Catalytic Processes in Materials Science
- Optical Network Technologies
- Enzyme Catalysis and Immobilization
- Radioactive element chemistry and processing
- Advanced Photocatalysis Techniques
- Algal biology and biofuel production
- Advanced Battery Materials and Technologies
- Polyoxometalates: Synthesis and Applications
- Solid-state spectroscopy and crystallography
- Photoreceptor and optogenetics research
KTH Royal Institute of Technology
2015-2025
AstraZeneca (Brazil)
2025
Pharmaceutical Product Development (India)
2025
RISE Research Institutes of Sweden
2018-2024
Applied Physical Sciences (United States)
2017
Stockholm Environment Institute
2012-2016
Loughborough University
2012-2015
AstraZeneca (United Kingdom)
2010-2015
AstraZeneca (Sweden)
2004-2015
Södertälje Sjukhus
2012-2015
The synthetic route and properties of three 2D hybrid organic/inorganic lead iodide perovskite materials are reported. perovskites were synthesized from the reaction between PbI2 di-cations 1,4-diaminobutane, 1,6-diaminohexane, 1,8-diaminooctane. resulting products [NH3(CH2)4NH3]PbI4 (BdAPbI4), [NH3(CH2)6NH3]PbI4 (HdAPbI4), [NH3(CH2)8NH3]PbI4 (OdAPbI4). Structural characterization shows that two dimensional structures formed with inorganic structural planes separated by organic layers....
The crystal structure of form 4 the drug 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid is determined using a protocol for NMR powder crystallography at natural isotopic abundance combining solid-state 1H spectroscopy, prediction, and density functional theory chemical shift calculations. This first example determination molecular compound previously unknown structure, 422 g/mol this largest to which method has been applied so far.
Specific interactions of the I−/I3− redox mediators with reduced and oxidized dye, Ru(4,4′-dicarboxy-2,2′-bipyridyl)2(NCS)2, referred to as N3 or Ru(dcbpy)2(NCS)2, have been studied by means density functional theory (DFT) focus on charge transfer process involving {dye+ I−} adducts; computations had performed a series functionals (gradient-corrected BP86, hybrid B3LYP, MPW1K, B3PW1K, MPW1PW91). Different pathways leading adducts studied. First, mechanistic insights into interaction I−...
Tetraphosphorus decasulfide (P(4)S(10)) in pyridine has been used as a thionating agent for long period of time. The moisture-sensitive reagent now isolated crystalline form, and the detailed structure determined by X-ray crystallography. power this storable studied transferred to solvents such acetonitrile which it proven be synthetically useful exceptionally selective. Its properties have compared with so-called Lawesson (LR). Particularly interesting are results from thionations at...
A new redox couple, [Cu(bpye)<sub>2</sub>]<sup>+/2+</sup>, has been synthesized and applied in DSSCs. Overall efficiencies above 9.0% good photostability were obtained. Excellent electrolyte charge transport, fast regeneration low recombination are the major reasons for high efficiencies.
C4 phosphoenolpyruvate carboxylases have evolved from ancestral C3 isoforms during the evolution of angiosperms and gained distinct kinetic regulatory properties compared with isozymes. To identify amino acid residues and/or domains responsible for these C4-specific carboxylase <i>Flaveria trinervia</i> (C4) was its orthologue in closely related plant pringlei</i>. Reciprocal enzyme chimera were constructed constants,<i>K</i> <sub>0.5</sub> <i>k</i> <sub>cat</sub>, as well Hill coefficient,...
G protein coupled receptor 119 (GPR119) is viewed as an attractive target for the treatment of type 2 diabetes and other elements metabolic syndrome. During a program toward discovering agonists GPR119, we herein describe optimization initial lead compound, 2, into development candidate, 42. A key challenge in this work was insolubility compound. Small-molecule crystallography utilized to understand intermolecular interactions solid state resulted switch from aryl sulphone 3-cyanopyridyl...
We have developed two parallel series, A and B, of CX3CR1 antagonists for the treatment multiple sclerosis. By modifying substituents on 7-amino-5-thio-thiazolo[4,5-d]pyrimidine core structure, we were able to achieve compounds with high selectivity over closely related CXCR2 receptor. The structure-activity relationships showed that a leucinol moiety attached core-structure in 7-position together α-methyl branched benzyl derivatives 5-position displayed promising affinity, as well...
The water-in-salt electrolytes have promoted aqueous Li-ion batteries to become one of the most promising candidates overcome safety concerns/issues traditional batteries. A simple increase Li-salt concentration in can successfully expand electrochemical stability window beyond 2 V. However, necessary improvements require an complexity ternary electrolytes. Here, we explored effects novel, Gemini-type ionic liquids (GILs) as a co-solvent systems Li[TFSI] mixtures and investigated transport...
A versatile two‐step cultivation procedure for Arabidopsis thaliana is described the production of large quantities leaf material suitable biochemical and biophysical analysis. The first step comprises a miniature greenhouse made out plastic pipette box to grow seedlings six‐leaf stage. For continued growth, are transferred hydroponic using an opaque container covered by styrofoam lid. Transfer small culture facilitated growth in separate tips, which protects vulnerable roots from damage....
An efficient synthesis of aryl substituted cyclic sulfonimidamides designed as chiral nonplanar heterocyclic carboxylic acid bioisosteres is described. The sulfonimidamide ring system could be prepared in two steps from a trifluoroacetyl protected sulfinamide and methyl ester amino acids. By varying the acid, range different C-3 prepared. compounds further derivatized using standard cross-coupling reactions to yield highly excellent yields. physicochemical properties final were examined...
We report the significant role of synthetic routes and importance solvents in synthesis organic–inorganic lead iodide materials.
We present ODACell, an automated electrolyte formulation and coin cell assembly system for accelerated battery research.
The vibrational spectra of [R3S]I3(l) (R = Me or Et) showed extra spectral features in the 145 and 170 cm−1 region, contrast to what is predicted by selection rules for I3− D∞h symmetry. Depolarisation experiments that peak originates from a symmetric vibration mode. addition an excess I− obliterates peak, whereas at invariant. also introduces decrease intensity structural effects LXS reduced radial distribution function. centrosymmetric polyhalide ions Br3− IBr2− do not exhibit analogous...
A model of the photosynthetic membrane from higher plants is presented. The different photosystems, PSI alpha, beta, PSII alpha and are located in separate domains. photosystems with largest antenna systems, grana other stroma lamellae. In each disc a flat annulus surrounding circular domain. this units antennae found center. consistent results recent fractionation experiments.
The nature of intra- and intermolecular interactions polyiodides has been investigated by means quantum chemical methods structural statistical data. In the region "secondary bonds" interaction is adequately described in terms covalent bonding accompanied dispersion. At greater distances dominated ion-quadrupole between ionic neutral iodine building blocks polyiodide structures. (© Wiley-VCH Verlag GmbH, 69451 Weinheim, Germany, 2002)
Two series of iodide and polyiodide chain structures have been synthesized through the employment secondary interactions between polycation, long-chain, hydrocarbon cations. These compounds represent examples crystal engineering, employing a simple strategy synthesis. The two are related, capacity to incorporate ions dependent on length chains is indicated.
Two series of amino-substituted 1,2,4- and 1,3,4-oxadiazole matched compounds were evaluated found to have significant differences in their various physical pharmaceutical properties. Experimental computational techniques suggested that variation hydrogen bond acceptor donor strength responsible for these effects.
Abstract Organic–inorganic hybrid materials based on lead and bismuth have recently been proposed as novel X‐ gamma‐ray detectors for medical imaging, non‐destructive testing, security, due to their high atomic numbers facile preparation compared traditional like amorphous selenium Cd(Zn)Te. However, challenges related device operation, excessively dark currents, long‐term stability delayed commercialization. Here, two semiconductors incorporating stable sulfonium cations are presented, [(CH...
The urgent need for renewable energy solutions requires rapid advancements in materials discovery. In response, we present AURORA, an innovative robotic platform that enhances this process by integrating automated synthesis, characterization, and evaluation into a single unit, thereby improving efficiency reducing errors. Its modular design allows adaptable screening of diverse materials, including metal halide perovskites, their application solar cell devices. Our study demonstrates the...