Results 41 to 50 of about 253,131 (260)

Strength of London Dispersion Forces in Organic Structure Directing Agent—Zeolite Assemblies

Molecules
Herein, we study the London dispersion forces between organic structure directing agents (OSDAs)—here tetraalkyl-ammonium or -phosphonium molecules—and silica zeolite frameworks (FWs).
Karima Ata, Tzonka Mineva, Bruno Alonso
doaj   +1 more source

Continuum Electronic States: The Tiresia Code

Molecules, 2022
A multicenter (LCAO) B-spline basis is described in detail, and its capabilities concerning affording convergent solutions for electronic continuum states and wavepacket propagation are presented.
Piero Decleva, Mauro Stener, Daniele Toffoli   +2 more
doaj   +1 more source

Conserved binding mode but diverse interfaces of MreC‐PBP2 interactions

FEBS Letters, EarlyView.
The crystal structure of abMreC reveals a conserved two β‐barrel architecture and provides structural insights into its role within the bacterial elongasome. The abMreC–abPBP2 complex model identifies the molecular basis of MreC‐mediated PBP2 recognition, contributing to the regulation of peptidoglycan synthesis.
Hyunseok Jang, Hyo Been Jin, Chang Min Kim, So Yeon Lee, Hyun Ho Park   +4 more
wiley   +1 more source

Conformational analysis and quantum descriptors of two new imidazole derivatives by experimental, DFT, AIM, molecular docking studies and adsorption activity on graphene

Heliyon, 2020
1-[2-(2-hydroxy-3-methoxy-5-(4-methoxyphenylazo)benzaldeneamino)ethyl]-3-methyl-3H-imidazole (HMY) and 1-[2-(2-hydroxy-3-methoxy-5-(4-methylphenylazo)benzaldene amino)ethyl]-3-methyl-3H-imidazole (HMM) were synthesized and characterized using spectral ...
Veena S. Kumar, Y. Sheena Mary, Kiran Pradhan, Dhiraj Brahman, Y. Shyma Mary, Goncagül Serdaroğlu, Ali Shokuhi Rad, M.S. Roxy   +7 more
doaj   +1 more source

AscF in the mycobacterial CIII–CIV supercomplex lacks metal and nucleotide binding but links malate oxidation to respiration

FEBS Letters, EarlyView.
The mycobacterial CIII‐CIV respiratory supercomplex is an obligate assembly, encompassing several subunits of unknown functions. We have characterized the intracellular subunit AscF, and show that it is unlikely to be a sensor for metals or nucleotides, but is required for growth on nonfermentable energy sources, and likely works as an adapter for ...
Eni Rile, Riccardo Diamanti, Daniel Lundin, Soni Sharma, Robin Lissner, Coenraad P. Kuil, Martin Högbom, Dirk Bald, Dan Sjöstrand   +8 more
wiley   +1 more source

Identification of the plant mitochondrial OrfX protein: A mass spectrometry approach

FEBS Letters, EarlyView.
The mitochondrial genome of plants contains an open reading frame, orfx, which encodes a rare protein that has so far escaped mass spectrometric detection. The protein resembles the c‐subunit of bacterial twin‐arginine‐motif‐dependent protein translocases (TatC).
Matthias Döring, Jan de Jonge, Hans‐Peter Braun, Nils Rugen   +3 more
wiley   +1 more source

Base-pairing of uracil and 2,6-diaminopurine: from cocrystals to photoreactivity

iScience
Summary: We show that the non-canonical nucleobase 2,6-diaminopurine (D) spontaneously base pairs with uracil (U) in water and the solid state without the need to be attached to the ribose-phosphate backbone. Depending on the reaction conditions, D and U
Tomislav Stolar, Ben K.D. Pearce, Martin Etter, Khai-Nghi Truong, Tea Ostojić, Andraž Krajnc, Gregor Mali, Barbara Rossi, Krešimir Molčanov, Ivor Lončarić, Ernest Meštrović, Krunoslav Užarević, Luca Grisanti   +12 more
doaj   +1 more source

Challenges in Simulating Light-Induced Processes in DNA

Molecules, 2016
In this contribution, we give a perspective on the main challenges in performing theoretical simulations of photoinduced phenomena within DNA and its molecular building blocks.
Philipp Marquetand, Juan J. Nogueira, Sebastian Mai, Felix Plasser, Leticia González   +4 more
doaj   +1 more source

Generalized Circuit Topology of Folded Linear Chains

iScience, 2020
Summary: A wide range of physical systems can be formally mapped to a linear chain of sorted objects. Upon introduction of intrachain interactions, such a chain can “fold” to elaborate topological structures, analogous to folded linear polymer systems ...
Anatoly Golovnev, Alireza Mashaghi
doaj   +1 more source

Interferon beta drives therapy resistance in a patient‐derived model of high‐grade serous ovarian cancer

Molecular Oncology, EarlyView.
Interferon type 1 (IFN‐1) production and signaling is associated with the acquisition of therapy resistance, following chronic DNA damage, via Interferon‐related DNA damage resistance signature (IRDS) gene expression. An alternative, DNA damage‐independent role of sustained IFN‐1 mediated resistance was identified and characterized by the emergence of ...
Ashlyn Conant, Tise Suzuki, Kiera McGivney, V. S. S. Abhinav Ayyadevara, Sharon Asariah, Jay Deng, Ethan Nyein, Jacqueline Coats, Gary Yu, Yevgeniya J. Ioffe, Christian Hurtz, Juli J. Unternaehrer   +11 more
wiley   +1 more source