Results 71 to 80 of about 24,331 (288)

Tailoring Li‐ion Storage and Transport in Two‐Dimensional Conjugated Metal‐Organic Frameworks via Precise Nitrogen Incorporation

Advanced Functional Materials, EarlyView.
Two nitrogen‐doped 2D conjugated metal‐organic frameworks (2D c‐MOFs, namely Cu‐Nx‐OHBA, x = 2 or 4) are synthesized, featuring precise nitrogen incorporation via rational ligand design. The Cu‐Nx‐OHBA 2D c‐MOFs are largely tailorable by varying skeletal nitrogen density, with respect to electrical conductivity, Li‐storage capacitance, and Li‐transport
Xiangyu Li, Shaoze Shi, Fucai Cui, Rashid Iqbal, Pengyu Wang, Tianrui Wu, Jingcheng Hao, Renhao Dong   +7 more
wiley   +1 more source

Mg-MOF-74: A novel material for adsorption and detection of toxic gases

AIP Advances
This study investigated the adsorption characteristics of toxic gases such as CO, H2S, SO2, NH3, and NOx (x = 1,2) on Mg-MOF-74 using the framework of density functional theory as implemented in the Gaussian-09 and Quantum ESPRESSO suites of the programs.
Dipak Adhikari, Ravi Karki, Kapil Adhikari, Nurapati Pantha   +3 more
doaj   +1 more source

Speculative analysis on the electronic structure, IR assignments and molecular docking of N-{4-[(4-amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)sulfonyl]phenyl}acetamide, an anti-amoebic agent

Heliyon, 2020
An exhaustive quantum mechanical calculations on a pharmaceutically critical molecule N-{4-[(4-amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)sulfonyl]phenyl}acetamide have been investigated through the B3LYP/6-31G∗∗ Density Functional and HF/6-31G ...
Bindesh Kumar Shukla, Umesh Yadava
doaj   +1 more source

Dynamic Interfacial Chemistry of Choline Chloride as Electrolyte Additive for Stable Zn‐Iodine Batteries

Advanced Functional Materials, EarlyView.
Choline chloride (ChCl) additive enables dynamic interface engineering in Zn‐I2 batteries by forming hydrophobic polyiodide complexes and a Zn‐stabilizing Ch+‐rich layer under electric field modulation. This dual‐function strategy suppresses iodine hydrolysis and dendrite formation, while optimizing Zn2+ solvation and transport for high‐efficiency ...
Xiaoyu Bi, Yuchuan Ren, Ao Yu, Linlin Yang, Ren He, Yapeng Cheng, Xingqi Chang, Xuan Lu, Yanting Xie, Qian Xue, Hu Yuan, Canhuang Li, Runzhou Huang, Jordi Jacas Biendicho, Chaoqi Zhang, Jian Shang, Andreu Cabot   +16 more
wiley   +1 more source

Terthiophene on Au(111): A scanning tunneling microscopy and spectroscopy study

Beilstein Journal of Nanotechnology, 2011
Terthiophene (3T) molecules adsorbed on herringbone (HB) reconstructed Au(111) surfaces in the low coverage regime were investigated by means of low-temperature scanning tunneling microscopy (STM) and spectroscopy (STS) under ultra-high vacuum conditions.
Berndt Koslowski, Anna Tschetschetkin, Norbert Maurer, Elena Mena-Osteritz, Peter Bäuerle, Paul Ziemann   +5 more
doaj   +1 more source

Transport in a fullerene terminated aromatic molecular device

Journal of Science: Advanced Materials and Devices, 2018
In this work, we propose fullerene molecule C20 as an anchor to fabricate a robust aromatic molecular junction. The electron transport properties of this fullerene terminated aromatic molecular device at zero bias and finite bias voltage are investigated
Rupan Preet Kaur, Derick Engles
doaj   +1 more source

Spectral, DFT studies, molecular docking and antibacterial activity of Schiff base derived from furan-2-carbaldehyde and their metal (II) complexes

Journal of the Turkish Chemical Society, Section A: Chemistry, 2020
Metal (II) complexes of Cobalt(II) (1), Copper(II) (2), Nickel(II) (3), and Zinc(II) (4) with Schiff base ligand derived from furan-2-carbaldehyde were synthesized and elucidated by IR, electronic, mass, 1H NMR, magnetic susceptibility measurements ...
Manjuraj T, Yuvaraj TCM, Jayanna N D, Shreedhara S H, Sarvajith M S.   +4 more
doaj   +1 more source

Blood Biomarkers and Surface‐Enhanced Raman Spectroscopy for Gout: A Comprehensive Review

Advanced Functional Materials, EarlyView.
Schematic illustrating gout disease progression from asymptomatic hyperuricemia to chronic tophaceous disease, highlighting the limitations of conventional imaging and biochemical diagnostics and the potential of engineered SERS platforms for ultrasensitive blood‐based detection of urate‐related biomarkers across disease stages, with the color gradient
Isuri Perera, Chiranjeevi Kanike, Appurva Tiwari, Hongyan Wu, Larry D. Unsworth, Ben Bin Xu, Xuehua Zhang   +6 more
wiley   +1 more source

Investigation on Structural, Relative Stable, and Electronic Properties of Binary AlnLin (n = 2 – 12) Clusters through Density Functional Theory

Medžiagotyra, 2019
In the present research, the structural, the relative stable, and the electronic properties of AlnLin (n = 2 – 12) clusters were investigated by density functional theory (DFT).
Lei SHI, Zhiqiang ZHOU, Tao QU, Dachun LIU, Xiumin CHEN, BaoQiang XU, Bin YANG, Yongnian DAI   +7 more
doaj   +1 more source

Nanobody‐Conjugated Theranostic Prodrug Targeting αvβ3 Integrin Enables Precision Cancer Therapy With Real‐Time Imaging

Advanced Healthcare Materials, EarlyView.
The image shows a schematic form a nanobody‐conjugated theranostic prodrug (NBD) platform targeting tumor‐associated αvβ3 integrin. The NBD system integrates selective nanobody‐mediated tumor recognition, glutathione‐responsive disulfide cleavage for doxorubicin release, and aza‐BODIPY‐based near‐infrared fluorescence for real‐time imaging.
Sanu Karan, Hyunseung Lee, Rema Naskar, Mi Young Cho, Hye Sun Park, Eun Hee Han, Soumyadip Hore, Sun Hee Cho, Truc Ngoc Kim Lam, Taewoong Son, Tae Jung Park, Inkyu Hwang, Jonathan L. Sessler, Kwan Soo Hong   +13 more
wiley   +1 more source