Results 201 to 210 of about 415,174 (326)

opXRD: Open Experimental Powder X‐Ray Diffraction Database

Advanced Intelligent Discovery, EarlyView.
We introduce the Open Experimental Powder X‐ray Diffraction Database, the largest openly accessible collection of experimental powder diffractograms, comprising over 92,000 patterns collected across diverse material classes and experimental setups. Our ongoing effort aims to guide machine learning research toward fully automated analysis of pXRD data ...
Daniel Hollarek, Henrik Schopmans, Jona Östreicher, Jonas Teufel, Bin Cao, Adie Alwen, Simon Schweidler, Mriganka Singh, Tim Kodalle, Hanlin Hu, Gregoire Heymans, Maged Abdelsamie, Arthur Hardiagon, Alexander Wieczorek, Siarhei Zhuk, Ruth Schwaiger, Sebastian Siol, François‐Xavier Coudert, Moritz Wolf, Carolin M. Sutter‐Fella, Ben Breitung, Andrea M. Hodge, Tong‐yi Zhang, Pascal Friederich   +23 more
wiley   +1 more source

XXI. On crystallography. Translated from the last Paris edition of his Traité de Minéralogie [PDF]

M. Hauy
openalex   +1 more source

The crystallography of anthracene at 95°K and 290°K [PDF]

, 1964
R. Mason
openalex   +1 more source

The Structure of Nitro‐ and Polynitropyrazoles: X‐Ray Crystallography Versus Theoretical Calculations

Asian Journal of Organic Chemistry, EarlyView.
Abstract This publication presents the geometries of 157 nitro‐ and polynitropyrazoles. Among these, 109 compounds were theoretically studied using mainly the B3LYP/6–311++G(d,p) level of theory. Three‐parameter Lee‐Yang‐Parr (B3LYP) is a density functional theory (DFT) method widely used in computational chemistry and constitutes an acceptable ...
Rosa M. Claramunt, Marta Pérez‐Torralba, José Elguero, Ibon Alkorta   +3 more
wiley   +1 more source

The crystallography of acridine. III. The structure of acridine II [PDF]

, 1960
D. C. Phillips, F. R. Ahmed, W. H. Barnes   +2 more
openalex   +1 more source

Piano‐Stool Rhodium(V) and Rhodium(IV) Intermediates in C─H Functionalization and B─H Functionalization: Mechanistic Insights and Emerging Reactivity

Asian Journal of Organic Chemistry, EarlyView.
High‐valent Rh(IV) and Rh(V) species have been invoked to rationalize enhanced catalytic reactivity. This review examines evidence for both, emphasizing reactions proceeding through the Rh(III)/Rh(IV)/Rh(II) cycle. While Rh(V) intermediates are computationally supported, experimental evidence is limited; Rh(IV) species are supported by both theory and ...
Yujie Cao, Arnav Kacker, Kevin G. M. Kou
wiley   +1 more source

Fragment‐Based Drug Discovery of Novel High‐affinity, Selective, and Anti‐inflammatory Inhibitors of the Keap1‐Nrf2 Protein‐Protein Interaction

Angewandte Chemie, EarlyView.
We developed potent and selective noncovalent Keap1‐Nrf2 inhibitors through a structure‐guided fragment‐based approach. These nanomolar inhibitors activate Nrf2‐controlled genes, suppress inflammation via NLRP3 and STING pathways, and exhibit distinct transcriptional profiles compared to covalent Nrf2 activators, offering promising chemical probes and ...
Chunyu Lin, Dilip Narayanan, Marilia Barreca, Cecilie Poulsen, Leandro Silva da Costa, Xiangrong Chen, Kendall G. Wichman, Cherisse A. Charley, Jaslin L. Lindsay, Mahya Dezfouli, Dimitra Vlissari, Thomas S. Mortensen, Camilla B. Chan, Jingyi Wang, William Richardson, Charlotte E. Manning, Zhuoyao Chen, Jie Zang, Helena Käck, Michael Gajhede, Alex N. Bullock, David J. Blake, David Olagnier, Anders Bach   +23 more
wiley   +2 more sources

The crystallography of some M2+ borates [PDF]

, 1964
S. Block, A. Perloff, C. E. Weir
openalex   +1 more source

Probing the modulation of enzyme kinetics by multi-temperature, time-resolved serial crystallography. [PDF]

Nat Commun
Schulz EC, Prester A, von Stetten D, Gore G, Hatton CE, Bartels K, Leimkohl JP, Schikora H, Ginn HM, Tellkamp F, Mehrabi P.   +10 more
europepmc   +1 more source

Brassinin from Brassica campestris L. inhibits colorectal cancer by inducing p62/NRF2/GPX4‐regulated ferroptosis

Animal Models and Experimental Medicine, EarlyView.
BSN suppresses the cell viability of colorectal cancer by inducing GPX4‐regulated ferroptosis. BSN may bind to NRF2 protein to inactivate the NRF2 signaling, inhibiting the expression of p62 and HO‐1. Abstract Background Indole phytoalexins, plant‐derived compounds present in cruciferous vegetables, have demonstrated anticancer properties.
Shi‐Yuan Wen, Rui‐Rui Gao, Yan‐Yan Chen, Yi‐Jie Wang, Xin‐Tong Wang, Hai‐Xin Liu   +5 more
wiley   +1 more source