Results 151 to 160 of about 37,778 (278)

Automation and Active Learning for the Multi‐Objective Optimization of Antibody Formulations

Advanced Science, EarlyView.
Successful antibody formulation necessitates balancing factors such as thermal stability, colloidal stability, and viscosity across a vast excipient design space. This work integrates robotic liquid handling, high‐throughput biophysical characterization, and multi‐objective Bayesian optimization in an iterative closed‐loop Design‐Build‐Test‐Learn cycle.
D. Christopher Radford, Matthew Tamasi, Elena Di Mare, Adam J. Gormley   +3 more
wiley   +1 more source

Mechanistic Continuum from Stepwise to Concerted Proton-Coupled Electron Transfer Pathways at a Synthetic Tricopper Cluster. [PDF]

J Am Chem Soc
Mondal S, Myers P, Doss EN, Zhang W, Zhang S.   +4 more
europepmc   +1 more source

Polarization Engineering in Vinylene‐Linked COFs Toward Efficient Neuromorphic Computing

Advanced Science, EarlyView.
A vinyl‐linked covalent organic framework (COF‐DIBPY) was synthesized on a conductive substrate for memristor applications. Redox reactions and bromide migration enable low‐voltage (0.5V) conductance switching with high analog on/off ratio (15.7). The device was further integrated into a speech emotion recognition system for acoustic simulation and ...
Hao Wang, Lei Zhao, Haoyuan Yao, Qiongshan Zhang, Fuzhen Xuan, Bin Zhang   +5 more
wiley   +1 more source

Decoding structural rigidity and charge-transfer polarization in barbituric-acid-based donor-π-acceptor chromophores. [PDF]

RSC Adv
Miryala K, Katdare M, Dey N.
europepmc   +1 more source

Toward a Rational Design of Conjugated Copolymers with Oxygenated Side Chains for Boosting Thermoelectric Properties

Advanced Energy Materials, EarlyView.
The molecular design strategy that integrates both side chain and backbone engineering in diketopyrrolopyrrole‐based conjugated polymers to identify the optimal balance between doping efficiency and microstructural order is demonstrated. Comprehensive spectroscopic, electrochemical, morphological, and structural characterizations reveal that the ...
Taewoong Han, Suhui Sim, Hoimin Kim, Taewoong Yoon, Hyungju Ahn, Seungjoo Chang, Namgyu Park, Hajeong Kim, Shabaz Alam, Dongki Lee, Sungjun Park, Sungjoo Lee, Jaewon Lee, Boseok Kang   +13 more
wiley   +1 more source

Active subspace learning for coarse-grained molecular dynamics. [PDF]

J Chem Phys
Wojnar A, Pankavich S, Pak AJ.
europepmc   +1 more source

Rational Backbone Planarization for Doping‐Resilient Polymeric Hole Transport Materials Toward Stable and Scalable Perovskite Solar Cells

Advanced Energy Materials, EarlyView.
Incorporating divinylbenzene into PTAA‐based copolymers induces backbone planarization and promotes polaron delocalization, leading to enhanced doping resilience and stabilized electronic structure. The resulting hole‐transport material, PDVB14, maintains robust performance under high dopant concentrations and prolonged device operation, offering a ...
Chanhyeok Kim, Seung Un Ryu, Du Hyeon Ryu, Hangyeol Kim, Jeongsu Kim, Dohyun Kim, Junwoo Lee, Kyeong‐Jun Jeong, Chang Eun Song, Sung Yun Son, Minjun Kim   +10 more
wiley   +1 more source

Atomistic Insights into Conformations and Solvation Dynamics of Amylose, Dextran, and Pullulan Using Three Force Fields. [PDF]

J Phys Chem B
Farzeen P, Yoon HY, Coutinho IT, Roman M, Moore R, Deshmukh SA.   +5 more
europepmc   +1 more source

Multiscale Perspectives on Perovskite Instability: From Atomistic Deformation to Device Degradation in Perovskite Solar Cells

Advanced Energy Materials, EarlyView.
Multiscale perspectives on how excess charges in soft lead halide perovskites induce operational instability in photovoltaic devices are presented. Localized carriers formed under thermodynamic non‐equilibrium states modify atomistic interactions and drive lattice distortions, accelerating device degradation.
Joo‐Hong Lee, Donghyeon Lee, Seoyoon Lee, Jin‐Wook Lee, Mansoo Choi, Min‐cheol Kim, Namyoung Ahn   +6 more
wiley   +1 more source

Copper-Mediated Trimerization of Diazopeptides Generates Peptide Derivatives of <i>Cis</i>- and <i>Trans</i>-Aconitic Acid That Adopt Folded Structures. [PDF]

J Org Chem
Curran TP, Pubillones LL, Marrone A, Tolbatov I, Ingrey SC.   +4 more
europepmc   +1 more source