Research field
Molecules, reactions, materials, nanotechnology, and sustainable chemistry.
A computational study proposes a coordination-and-distance rule for hydrogen in metal defects and uses it to reproduce a two-peak thermal-desorption profile in tungsten.
Scientific publication4 min read
The two tryptophan forms produced different colors and particle arrangements, while absorbance at one wavelength tracked the share of d-tryptophan in test mixtures.
RSC advances4 min read
Mice given the nanoparticle formulation Nowarta110 through the skin, oral mucosa or vagina once daily for 12 weeks showed no consistent treatment-related harm across clinical, laboratory, organ and tissue checks.
Nanoscale4 min read
A network analysis linked four conventional antiepileptic drugs to different osteoporosis-related protein hubs. Docking and molecular-dynamics results added detail, but the findings remain preliminary signals rather than clinical evidence.
Frontiers in pharmacology3 min read
In a laboratory comparison, NiPc-OTh showed the strongest measured interaction with Cu2O, while thiophene-anchored variants recorded higher CO activity on carbon nanotubes than unanchored NiPc.
Exploration (Beijing, China)4 min read
A rat study found higher serum calcium, phosphate and alkaline phosphatase in fracture groups receiving free zingiberene or a zingiberene-selenium formulation than in fracture controls. The formulation's alkaline phosphatase reading was higher than free zingiberene's, but magnesium did not differ significantly between treatments.
Frontiers in veterinary science4 min read
A hydrogel carrying Lycium barbarum glycopeptide released more cargo under acidic lab conditions and was associated with faster wound closure in mice, but the study did not establish long-term safety or performance in other wound models.
Drug delivery4 min read
A glycan called R3 showed broad Siglec binding and was linked to higher immune-cell activity against MCF-7 cells in laboratory assays.
Journal of the American Chemical Society4 min read
A model built from fleeting residue contacts produced affinity estimates for Aβ42 and alpha-synuclein systems, but its validation remained imperfect.
Journal of the American Chemical Society4 min read
Ferucarbotran samples produced increasingly anisotropic SAXS patterns as the static magnetic field rose, giving researchers a way to compare three measures of orientational order.
Langmuir : the ACS journal of surfaces and colloids3 min read
A preprint reports broad, large dielectric responses in pressed BiFeO3 nanopowders with nominal Sm substitutions. The strongest features depended on temperature, frequency and composition, while phase mixtures and particle agglomeration left the mechanism unresolved.
Scientific publication4 min read
A theoretical preprint reports exact cancellation of the long-range infrared divergence for same-parity elastic exciton scattering, while opposite-parity inelastic coupling remains finite in the model.
Scientific publication3 min read
A laboratory comparison found distinct Raman changes around the ice-water transition, but the proposed link to latent heat still needs direct calorimetric validation.
Scientific publication3 min read
A laboratory study of hafnia ferroelectric films found that some regions roughened and leaked during electrical scanning, while others stayed smooth and switched. The researchers link the contrast to uneven chemistry at the underlying interface and report a processing test on one film.
Scientific publication5 min read
A literature-based Feature Article traces how polaritonic systems exchange energy, carry excitations and show reported changes in charge mobility, while highlighting gaps in the models used to describe them.
Chemical communications (Cambridge, England)5 min read
A computational preprint reports lower adsorption-enthalpy errors from new MOF models, alongside a large dataset and a literature benchmark that leave broader performance questions open.
Scientific publication4 min read
Projected q-shells retained more smooth-function information and produced lower one-electron and molecular benchmark errors than standard nested gausslets in the reported calculations.
Scientific publication5 min read
A critical review of lead-halide perovskites presents a testable framework linking their electronic structure, screening and carrier motion. It also warns that claims about universal defect tolerance, bulk ferroelectricity and dynamic Rashba effects remain unproven.
Scientific publication5 min read
A laboratory preprint reports that photon emission from transmitted helium ions varied strongly with exit charge state, while differences among carbon, silicon and silicon carbide were small.
Scientific publication3 min read
A laboratory preprint reports that light may leave optically addressable traps in BaF2, with changes in luminescence yield and a spatial readout of excitation sites.
Scientific publication4 min read
A first-principles study of CeCrB4 finds a tiny calculated energy edge for ferromagnetism and a molecular-like pattern in localized Cr–Cr states.
Scientific publication4 min read
A laboratory comparison of MoS2 growth on five crystalline substrates found sharply different domain shapes, coverage patterns and optical responses under nominally matched conditions.
Scientific publication4 min read
A study of three Ag-Au-Pd-Pt thin-film libraries found that work function predicted acidic hydrogen-evolution activity, but correcting hydrogen adsorption for surface coverage left work function with only a small additional contribution.
Scientific publication4 min read
A preprint combines SERS measurements with quantum-chemical calculations to examine why two Raman peaks change rank across three related molecules.
Scientific publication5 min read
A catalyst made with cyanobacterial extract achieved higher reported crystal violet degradation and total organic carbon removal than chemically synthesized NiO/CoO, though the tests used prepared dye solutions rather than real wastewater.
Scientific reports5 min read
Amine-functionalized biochar made from walnut shells produced high reported yields for two reaction types in water at room temperature, but the study was small and descriptive.
RSC advances4 min read
The study compared Bauhinia purpurea leaf-extract-mediated zinc oxide nanoparticles made by co-precipitation and sol-gel synthesis in carbon-steel corrosion tests, with lower dissolved iron reported at 100 ppm than in the blank.
Discover nano4 min read
A computational study of carbon dioxide reacting with surface hydrogen on Cu(111) predicts that rotational excitation may influence reaction probability more strongly than bending vibration, while leaving the mechanism to be tested experimentally.
Scientific publication4 min read
A model-free graph analysis reconstructed 158 HDO energy levels from 686 initially unassigned transitions. Broadband tests in acetylene and methane also measured line-position repeatability and identified unusual spectral features.
Scientific publication4 min read
OrbGNN represents molecular orbitals as graph nodes and uses their connections to predict correlation energies and spin-state gaps in three computational tests.
Scientific publication4 min read
Intercalated WTe2 compounds containing potassium, rubidium or cesium showed a lower-symmetry crystal arrangement and progressively wider spacing between layers. Optical analysis and DFT calculations indicated narrow gaps, while temperature-dependent electrical measurements reported semiconducting behavior for Rb0.5WTe2 crystals.
Dalton Trans. (2026) 55 (8), 3296-33094 min read
A combined photoemission and modeling study found that Fe and Mn deposits were associated with different surface-band changes in lead-tin selenide, depending on coverage and crystal orientation.
Scientific publication4 min read
The method gave finite model clusters an open-boundary response, but the tests were limited to idealized calculations and the authors say it is not yet a complete embedding framework.
Scientific publication5 min read
A preprint argues that cobalt ordering and correlated electronic states may help explain why a layered iron telluride remains antiferromagnetic near 250 K.
Scientific publication5 min read
A computational materials study used generated crystal structures and energy calculations to screen rare-earth alloys, finding its highest modeled magnetization in iron-rich candidates while leaving experimental stability untested.
Scientific publication4 min read
A numerical study reports two crack-front regimes, with fingering above a critical contrast and front stiffness vanishing in that regime.
Scientific publication4 min read
A model tracked published lithium and cobalt leaching data reasonably well in lower-acid conditions, but its peroxide predictions ran high at the strongest acid level.
Scientific publication4 min read
A review of direct-current thermo-mechanical testing finds that the method can support mechanism studies, model calibration and rapid creep screening, but it is not a universal substitute for bulk furnace testing.
Scientific publication4 min read
A modeling study highlights NiPt- and CoIr-based alloy families as the main source of its largest predicted anomalous Hall and Nernst responses. The authors propose exchange splitting, the separation between spin channels, as a way to choose parent compounds for chemical substitution. The findings are computational predictions from a virtual crystal screen.
Scientific publication5 min read
A hierarchical modeling workflow screened 30,364,908 generated structures and produced 97 predicted room-temperature solid-state electrolyte candidates, most of them halides. Agreement with independent experimental halide patterns was a consistency check, not direct validation.
Scientific publication3 min read