Results 191 to 200 of about 56,768 (286)

Adsorption of the dinotefuran enantiomers by Mg-modified peanut shell biochar: mechanism, site identification, and density functional theory validation. [PDF]

Pest Manag Sci
Suo F, Liu J, Yin Z, Liu X, You X, Ma S, Dong L, Cheng Y, Dong J, Zhang L.   +9 more
europepmc   +1 more source

Spatial Statistics for Screening Molecular Structures

Small, EarlyView.
Deep architectures for materials discovery demand vast training data and obscure the structure‐property link. This review shows how spatial statistics offer a physically grounded alternative: voxelized fields and two‐point correlations, compressed by principal component analysis, yield convex, interpretable descriptors. Lean surrogates then reach sub‐2%
Pranoy Ray, Surya R. Kalidindi
wiley   +1 more source

Mechanistic Insights Into Synephrine Isomerization Under Acidic and Neutral Conditions: A Combined Kinetic, Thermodynamic, and Quantum Chemical Approach. [PDF]

Chirality
Saito K, Nobuhira S, Kato A, Ito R, Akiyama H.   +4 more
europepmc   +1 more source

Artificial intelligence empowers targeted protein degradation: Core technological innovations, multi‐scenario applications, and translational prospects

Smart Molecules, EarlyView.
AI is transforming TPD by improving the design, prediction, and optimization of degraders such as PROTACs, molecular glues, and LYTACs. This review summarizes key AI‐driven advances, highlights applications across drug discovery stages, and discusses remaining challenges and future directions for accelerating the development of therapies against ...
Shuanglin Qin, Rui Peng, Guangshuai Zhang, Si Yan, Jin Xiao, Zishu Liu, Ziyu Tan, Qingqing Xie, Shangjie Li, Wei Luo, Xiaohe Xiao   +10 more
wiley   +1 more source

Chirality Transfer and Thiazolidine or Thiazine Formation in Reactions of L and D Enantiomers of β- or γ-Sulfhydryl Amino Acids with Imidazole Carboxaldehydes and Nickel(II). [PDF]

Molecules
Brewer CT, Brewer G, Butcher RJ.
europepmc   +1 more source

Oxaziridines: Versatile Reagents in Modern Organic Synthesis

The Chemical Record, EarlyView.
Being capable of transferring an O atom and N‐group/atom, oxaziridines are considered multitasking agents. These are employed for diverse organic transformations, such as epoxidation of olefins, α‐ and γ‐hydroxylation/amination of carbonyl compounds, oxidation of sulfides, [3+2]cycloaddition with unsaturated systems.
Ajeet Chandra, Subba Rao Cheekatla, Keshaba Nanda Parida   +2 more
wiley   +1 more source

Chiral Fjord-Edged Nanographenes Constructed by Allylic-Migration-Mediated Cyclization. [PDF]

Angew Chem Int Ed Engl
Qiu ZL, Xing JF, Borrisov B, Deng QS, Liu R, Imran M, Ma J, Feng X.   +7 more
europepmc   +1 more source

Metal‐Catalyzed Benzannulation: Recent Advances in Catalyst Design, Mechanistic Insights, and Aromatic Framework Construction

The Chemical Record, EarlyView.
This review offers a contemporary overview of metal‐catalyzed benzannulation (2018–present) encompassing transition, main‐group, post‐transition, and rare‐earth‐metal catalysts. It systematically highlights catalyst design, mechanistic insights, stereo‐ and regioselectivity, and synthetic applications toward aromatic and heteroaromatic scaffolds, while
Sana Jamshaid, Divya Shrestha, Raju S. Thombal, Jeung Gon Kim, Kim Seong Cheol, Yong Rok Lee   +5 more
wiley   +1 more source

A Mechanical Planar Chiral Rotaxane Induces Single-Handed Helicity in a Twisted Perylene Diimide. [PDF]

Angew Chem Int Ed Engl
Lawson TE, Hartmann D, Krimovs A, Sun Q, Pal R, Barendt TA.   +5 more
europepmc   +1 more source