Results 111 to 120 of about 9,588,223 (387)

Metadynamics with Discriminants: a Tool for Understanding Chemistry

, 2018
We introduce an extension of a recently published method\cite{Mendels2018} to obtain low-dimensional collective variables for studying multiple states free energy processes in chemical reactions.
Mendels, Dan, Parrinello, Michele, Piccini, GiovanniMaria   +2 more
core   +2 more sources

Bridging the gap: Multi‐stakeholder perspectives of molecular diagnostics in oncology

Molecular Oncology, EarlyView.
Although molecular diagnostics is transforming cancer care, implementing novel technologies remains challenging. This study identifies unmet needs and technology requirements through a two‐step stakeholder involvement. Liquid biopsies for monitoring applications and predictive biomarker testing emerge as key unmet needs. Technology requirements vary by
Jorine Arnouts, Senada Koljenović, Elise Daems, Karolien De Wael, Marc Peeters, Léon C. van Kempen, Greetje Vanhoutte, Karen Zwaenepoel, Timon Vandamme   +8 more
wiley   +1 more source

Reaction Decoder Tool (RDT): extracting features from chemical reactions

Bioinform., 2016
Summary: Extracting chemical features like Atom–Atom Mapping (AAM), Bond Changes (BCs) and Reaction Centres from biochemical reactions helps us understand the chemical composition of enzymatic reactions.
S. A. Rahman, G. Torrance, Lorenzo Baldacci, S. M. Cuesta, F. Fenninger, N. Gopal, S. Choudhary, J. May, Gemma L. Holliday, C. Steinbeck, J. Thornton   +10 more
semanticscholar   +1 more source

Adenosine‐to‐inosine editing of miR‐200b‐3p is associated with the progression of high‐grade serous ovarian cancer

Molecular Oncology, EarlyView.
A‐to‐I editing of miRNAs, particularly miR‐200b‐3p, contributes to HGSOC progression by enhancing cancer cell proliferation, migration and 3D growth. The edited form is linked to poorer patient survival and the identification of novel molecular targets.
Magdalena Niemira, Anna Skwarska, Karolina Chwialkowska, Agnieszka Ostrowska, Gabriela Sokolowska, Anna Zeller, Anna Erol, Andrzej Eljaszewicz, Bartosz Hanczaruk, Anna Michalska‐Falkowska, Agnieszka Tarasik, Joanna Reszec‐Gielazyn, Pawel Knapp, Marcin Moniuszko, Adam Kretowski   +14 more
wiley   +1 more source

Photothermal-assisted NH3 release in a bipyridinium-functionalized metal-organic framework adsorbent

Nature Communications
Widespread deployment of NH3-adsorbing MOF materials remains challenging due to the significant energy-penalty of regeneration. In this work, we address this limitation by integrating photothermal technologies into a bipyridinium-functionalized MOF ...
Xiao-Dong Yang, Haijing Lv, Yuxi Sun, Wenjing Dong, Yaping Wen, Xiaopeng Xuan, Jie Zhang   +6 more
doaj   +1 more source

Design, synthesis, and antitumor activity of novel thioheterocyclic nucleoside derivatives by suppressing the c-MYC pathway

Acta Pharmaceutica Sinica B
Eightly-four novel thioheterocyclic nucleoside derivatives were designed, synthesized, and evaluated for antitumor activity in vitro and in vivo. Most of the compounds inhibited the growth of HCT116 and HeLa cancer cells in vitro, among them 33a and 36b ...
Xian-Jia Li, Ke-Xin Huang, Ke-Xin Wang, Ru Liu, Dong-Chao Wang, Yu-Ru Liang, Er-Jun Hao, Yang Wang, Hai-Ming Guo   +8 more
doaj   +1 more source

A new type of power energy for accelerating chemical reactions: the nature of a microwave-driving force for accelerating chemical reactions

Scientific Reports, 2016
The use of microwave (MW) irradiation to increase the rate of chemical reactions has attracted much attention recently in nearly all fields of chemistry due to substantial enhancements in reaction rates. However, the intrinsic nature of the effects of MW
Jicheng Zhou, Wentao Xu, Zhimin You, Zhe Wang, Yushang Luo, Lingfei Gao, Cheng Yin, Renjie Peng, Lixin Lan   +8 more
semanticscholar   +1 more source

Modeling hepatic fibrosis in TP53 knockout iPSC‐derived human liver organoids

Molecular Oncology, EarlyView.
This study developed iPSC‐derived human liver organoids with TP53 gene knockout to model human liver fibrosis. These organoids showed elevated myofibroblast activation, early disease markers, and advanced fibrotic hallmarks. The use of profibrotic differentiation medium further amplified the fibrotic signature seen in the organoids.
Mustafa Karabicici, Soheil Akbari, Ceyda Caliskan, Canan Celiker, Ozden Oz, Leman Binokay, Gökhan Karakulah, Serif Senturk, Esra Erdal   +8 more
wiley   +1 more source

LPEO enhanced LAGP composite solid electrolytes for lithium metal batteries

Green Carbon
The application of solid electrolyte is expected to realize the commercialization of high energy density lithium metal batteries (LMBs). While the interfacial contact between solid inorganic electrolyte and electrodes has become a stumbling block for ...
Dongmei Dai, Pengyao Yan, Xinxin Zhou, Haowen Li, Zhuangzhuang Zhang, Liang Wang, Mingming Han, Xiaobing Lai, Yaru Qiao, Mengmin Jia, Bao Li, Dai-Huo Liu   +11 more
doaj   +1 more source

A synthetic benzoxazine dimer derivative targets c‐Myc to inhibit colorectal cancer progression

Molecular Oncology, EarlyView.
Benzoxazine dimer derivatives bind to the bHLH‐LZ region of c‐Myc, disrupting c‐Myc/MAX complexes, which are evaluated from SAR analysis. This increases ubiquitination and reduces cellular c‐Myc. Impairing DNA repair mechanisms is shown through proteomic analysis.
Nicharat Sriratanasak, Bodee Nutho, Worawat Wattanathana, Narumon Phaonakrop, Bunnatut Panasawatwong, Katharina Erlenbach‐Wuensch, Sittiruk Roytrakul, Regine Schneider‐Stock, Pithi Chanvorachote   +8 more
wiley   +1 more source