Results 51 to 60 of about 17,415,045 (319)

Investigation of Antiviral Activities of Nickel and Copper Complexes with Macrocyclic Ligands against Crimean-Congo Hemorrhagic Fever by In Silico Calculations

Cumhuriyet Science Journal, 2023
For the first time, electronic characteristics of potential drug candidates and their inhibitory activities have been linked thanks to this work. Synthesized copper and nickel complexes with trans-N1,N8-bis(2-cyanoethyl)-2,4,4,9,11,11-hexamethyl-1,5,8,12-
Niyazi Bulut, Duran Karakaş, Sultan Erkan   +2 more
doaj   +1 more source

Facet‐Dependent Activity of Fe3S4 Crystal in Peroxydisulfate Activation for Organic Pollutants Degradation

Advanced Science, EarlyView.
Fe3S4 crystal with the exposed [001] facet exhibits higher catalytic activity for activating peroxydisulfate (PDS) to degrade clothianidin (CLO), which can be attributed to the dissolved Fe‐induced homogeneous catalytic process; while Fe3S4 crystal with the exposed [1‐21] facet exhibits excellent catalytic stability and durability, thereby boosting the
Jiaqu Tan, Min Yu, Jinfeng Wang, Dongya Li, Fan Yang, Yulong Zhang, Xueming Lin   +6 more
wiley   +1 more source

Structural and spectroscopic characterization oF N’-[(1E)-(4-fluorophenyl)methylidene]thiophene-2-carbohydrazide, a potential precursor to bioactive agents

Macedonian Journal of Chemistry and Chemical Engineering, 2016
In this study, vibrational spectral analysis of the title compound was carried out using FT-IR and FT-Raman spectroscopy in the range of 500−4000 cm−1. The vibrational analysis was aided by an electronic structure calculation based on the B3LYP/6-311++G ...
Monirah Abdel-Rahman Al-Alshaikh, S Muthu, Ebtehal S Al-Abdullah, E Elamurugu Porchelvi, Siham Lahsasni, Ali Abdel-Rahman El-Emam   +5 more
doaj   +1 more source

Condensation of Frontier Molecular Orbital Fukui Functions

The Journal of Physical Chemistry A, 2003
A comparison of the regional Fukui index evaluation within the frontier molecular orbital (FMO) Fukui functions is presented. The atoms-in-molecules (AIM) real space-based condensation scheme is compared against a basis set-based condensation scheme and the reliability of the produced reactivity trends is compared. The AIM condensation scheme turns out
Bulat, Felipe A., Chamorro, Eduardo, Fuentealba Rosas, Patricio, Toro Labbé, Alejandro   +3 more
openaire   +8 more sources

Asymmetric Single‐Atom Catalysts Govern Diffusible and Non‐Diffusible Non‐Radical Pathways for Selective Degradation of Antibiotic Resistance Genes

Advanced Science, EarlyView.
Asymmetric single‐atom metal‐nitrogen‐carbon catalysts modulate the non‐radical pathway during peroxymonosulfate (PMS) activation. A fundamental contrast was revealed between diffusible singlet oxygen (1O2) and non‐diffusible electron‐transfer pathways (ETP) in antibiotic resistance gene (ARG) degradation.
Chen Gao, Jun Sun, Liang Zhang, Litao Lin, Zongfeng Wan, Bingcai Pan, Sheng Tang   +6 more
wiley   +1 more source

An Evaluation of the Exchange Condition of Fukui Prefecture based on the Interprefectural Flow of Inforrnation [PDF]

, 1990
1n this study,the main aim is to evaluate the interprefectural flow of informatIon of Fukui Prefecture. At first,the present condition of the interprefectural flow of information is investigated.
一守, 由紀夫, ICHIMORI, Yukio, FUKUI, Takuo, 本多, 義明, 福井, 卓雄, HONDA, Yoshiaki   +5 more
core   +3 more sources

Immobility responses are induced by photoactivation of single glomerular species responsive to fox odour TMT

Nature Communications, 2017
The olfactory bulb is arranged in glomeruli defined by their olfactory receptor expression. The authors identify an olfactory receptor for fox odour, TMT, and show that activation of the glomerulus expressing that receptor in mice leads to immobility ...
Harumi Saito, Hirofumi Nishizumi, Satoshi Suzuki, Hideyuki Matsumoto, Nao Ieki, Takaya Abe, Hiroshi Kiyonari, Masahiko Morita, Hideo Yokota, Nozomi Hirayama, Takahiro Yamazaki, Takefumi Kikusui, Kensaku Mori, Hitoshi Sakano   +13 more
doaj   +1 more source

Chemical reactivity of alliin and its molecular interactions with the M proteasepro of SARS-CoV-2 [PDF]

Journal of the Serbian Chemical Society
In the present work, a computational study of the chemical reactivity of alliin at the X/DGDZVP level of theory (where X is B3LYP, M06, M06L or wB97XD) was performed.
López-Orozco Wendolyne, Mendoza-Huizar Humberto Luis, Álvarez-Romero Giaan Arturo, Torres-Valencia Jesús Martín, Sanchez-Zavala Maricruz   +4 more
doaj   +1 more source

Anchor Engineering of Hole‐Selective Enamine‐Based Self‐Assembling Monolayers for Perovskite Solar Cells

Advanced Science, EarlyView.
This work presents novel enamine‐based self‐assembling monolayers with engineered anchoring groups as hole‐selective contacts for inverted perovskite solar cells. The conjugated molecular design suppresses interfacial defects, optimizes charge extraction, and prevents aggregation.
Deimante Krisiune, Yuxuan Yang, Yongde Xu, Hao Tian, Chuanxiao Xiao, Jianxing Xia, Mahan Saberi Zafarghandi, Ali Keshavarz Mohammadian, Negar Ashari Astani, Kasparas Rakstys, Yi Zhang, Vytautas Getautis   +11 more
wiley   +1 more source

Multi‐Omics Integration Identifies a CDH3‐Associated Malignant Epithelial State and Immunosuppressive Niche to Predict Prognosis in Thymic Epithelial Tumors

Advanced Science, EarlyView.
Single‐cell, spatial, molecular, and pathology analyses identify a CDH3‐associated malignant epithelial state in thymic epithelial tumors. This state links stem‐like and EMT programs to M2 macrophage–rich immunosuppressive niches, genomic instability, poor survival, and drug vulnerability.
Yuntao Feng, Jingyu Chen, Lang Xia, Tao Wang, Yuzhou Wang, Lei Zhang, Guofang Zhao, Long Xu, Juemin Yu, Yunlang She, Junqi Wu, Yue Zhao, Chang Chen, Deping Zhao   +13 more
wiley   +1 more source