📄 Category

chemistry

1753 papers

📄 chemistry

Density Functional Theory Investigation of Electronic, Spectroscopic, Reactivity, and Nonlinear Optical Properties of Uracil in Neutral, Cation, and Anion States

This study employs density functional theory to comprehensively investigate the structural, electronic, spectroscopic, and nonlinear optical properties of uracil in neutral, cationic, and anionic states, revealing that ionization significantly alters bond geometries, enhances chemical reactivity, and dramatically increases nonlinear optical responses, particularly in the anionic form.

Santosh Dhungana, Sanjay Kumar Sah2026-06-24
📄 chemistry

Synergistic construction of SERS strategy by Fe 3 O 4 @PDA@AgNPs and GNA: accurate pursuit and efficient detection of probiotics

This study presents a synergistic SERS strategy utilizing Fe3O4@PDA@AgNPs and GNA for the rapid, highly sensitive, and accurate qualitative and quantitative detection of ten probiotics in complex samples, achieving detection limits below 10¹ CFU/mL with 97–99% accuracy.

Shijie Liu, Qian Ding, Huihui Zhi, Lijun Zhao, Miaoyun Li, Yanxia Liu, Haoyun Li, Dong Liang, Yaodi Zhu, Lingxia Sun, Ya (…)2026-06-24
📄 chemistry

From K-snack to copolymer: Conversion of Silkworm pupa oil into poly(3- hydroxybutyrate-co-3-hydroxyhexanoate) by engineered Cupriavidus necator H16

This study demonstrates the sustainable conversion of silkworm pupa oil, a byproduct of the silk industry, into high-value poly(3-hydroxybutyrate-co-3-hydroxyhexanoate) biopolymers using engineered *Cupriavidus necator* H16, achieving superior cell growth and polymer yields compared to traditional carbon sources while producing biodegradable films.

Geonwoo Doh, Yuni Shin, Tae Yun Kim, Seung Hun Lee, Yun-Gon Kim, Hee Taek Kim, Woo-Young Jeon, Jungoh Ahn, Kwon-Young Ch (…)2026-06-24
📄 chemistry

Azaullazine-driven frontier orbital engineering enables nanosecond-lived singlet MLCT states in Fe(II) NHC complexes

This study reports a record-breaking Fe(II) complex featuring azaullazine-driven frontier orbital engineering that induces HOMO and LUMO inversion to selectively inhibit intersystem crossing, thereby stabilizing singlet metal-to-ligand charge-transfer states with a nanosecond-scale fluorescence lifetime.

Mariachiara Pastore, Nour Shalhoub, Amani Toumi, Florian Molton, Simon Ali Rincon Celis, Federico Coppola, Celestino Ang (…)2026-06-24