keyword
https://read.qxmd.com/read/38647033/can-the-rate-of-a-catalytic-turnover-be-altered-by-ligands-in-the-absence-of-direct-binding-interactions
#1
JOURNAL ARTICLE
Jacklyn N Hall, Stephen P Vicchio, A Jeremy Kropf, Massimiliano Delferro, Praveen Bollini
Second sphere coordination effects ubiquitous in enzymatic catalysis occur through direct interactions, either covalent or non-covalent, with reaction intermediates and transition states. We present herein evidence of indirect second sphere coordination effects in which ligation of water/alkanols far removed from the primary coordination sphere of the active site nevertheless alter energetic landscapes within catalytic redox cycles in the absence of direct physicochemical interactions with surface species mediating catalytic turnovers...
April 22, 2024: Journal of the American Chemical Society
https://read.qxmd.com/read/38646418/variable-selection-in-bayesian-multiple-instance-regression-using-shotgun-stochastic-search
#2
JOURNAL ARTICLE
Seongoh Park, Joungyoun Kim, Xinlei Wang, Johan Lim
In multiple instance learning (MIL), a bag represents a sample that has a set of instances, each of which is described by a vector of explanatory variables, but the entire bag only has one label/response. Though many methods for MIL have been developed to date, few have paid attention to interpretability of models and results. The proposed Bayesian regression model stands on two levels of hierarchy, which transparently show how explanatory variables explain and instances contribute to bag responses. Moreover, two selection problems are simultaneously addressed; the instance selection to find out the instances in each bag responsible for the bag response, and the variable selection to search for the important covariates...
August 2024: Computational Statistics & Data Analysis
https://read.qxmd.com/read/38640652/insight-into-fe-o-bi-electron-migration-channel-in-mil-53-fe-bi-4-o-5-i-2-z-scheme-heterojunction-for-efficient-photocatalytic-decontamination
#3
JOURNAL ARTICLE
Yanyu Song, Xianbo Sun, Long D Nghiem, Jun Duan, Wen Liu, Yongdi Liu, Zhengqing Cai
Building a heterojunction is a fascinating option to guarantee sufficient carrier separation and transfer efficiency, but the mechanism of charge migration at the heterojunction interface has not been thoroughly studied. Herein, MIL-53(Fe)/Bi4 O5 I2 photocatalyst with a Z-scheme heterojunction structure is constructed, which achieves efficient photocatalytic decontamination under solar light. Driven by the newly-built internal electric field (IEF), the formation of Fe-O-Bi electron migration channel allows for rapid separation and transfer of charge carriers at the heterojunction interface, confirmed by the material characterization and density functional theory (DFT) calculation...
April 15, 2024: Journal of Colloid and Interface Science
https://read.qxmd.com/read/38639641/magnetic-ionic-crystals-with-light-controllable-mobility-and-co-2-physisorption-desorption
#4
JOURNAL ARTICLE
Yifan Ge, Shuai Tan, Yong Wu, Caihong Wang
Magnetic responsive ionic liquid (MIL) demonstrated an advanced photomobility in confined narrow spaces through the doping of photoresponsive azobenzene by the interplay of supramolecular π-cations. Moreover, reversible physisorption/desorption of CO2 was achieved based on the photocontrolled solid-liquid transitions of the mixtures. Our approach opens opportunities to obtain multi-stimuli response through the coordinated supramolecular interplay of each responsive component.
April 19, 2024: Chemical Communications: Chem Comm
https://read.qxmd.com/read/38639416/tailored-porous-ferrocene-based-metal-organic-frameworks-as-high-performance-proton-conductors
#5
JOURNAL ARTICLE
Yong-Jie Song, Si-Yuan Ren, Shuaiwu Zuo, Zhi-Qiang Shi, Zifeng Li, Gang Li
Although crystalline metal-organic frameworks (MOFs) have gained a great deal of interest in the field of proton conduction in recent years, the low stability and poor proton conductivity (σ) of some MOFs have hindered their future applications. As a result, resolving the issues listed above must be prioritized. Due to their exceptional structural stability, MOFs with ferrocene groups that exhibit particular physical and chemical properties have drawn a lot of attention. This study describes the effective preparation of a set of three-dimensional ferrocene-based MOFs, MIL-53-FcDC-Al/Ga and CAU-43 , containing both main group metals and 1,1'-ferrocene dicarboxylic acid (H2 FcDC)...
April 19, 2024: Inorganic Chemistry
https://read.qxmd.com/read/38638223/critical-assessment-of-interactions-between-ct-dna-and-choline-based-magnetic-ionic-liquids-evidences-of-compaction
#6
JOURNAL ARTICLE
Kiran Devi Tulsiyan, Saroj Kumar Panda, Malay Kumar Rana, Himansu S Biswal
Ionic liquids (ILs) have become an alternative green solvent for storage and for stability of DNA. However, an in-depth understanding of binding and molecular interactions between ILs and DNA is needed. In this respect, magnetic ILs (MILs) are promising due to their tunable physicochemical properties. Various spectroscopic techniques and molecular simulations have been employed to unravel the critical factors of the strength and binding mechanism of MILs with DNA. UV-vis spectra unravel the multimodal binding of MILs with DNA, and the intrusion of IL molecules into the minor groove of DNA has been observed from dye displacement studies...
April 17, 2024: Chemical Science
https://read.qxmd.com/read/38636442/dna-functionalized-mof-fluorescent-probes-for-the-enzyme-free-and-pretreatment-free-detection-of-microrna-in-serum
#7
JOURNAL ARTICLE
Jiameng Xu, Xia Cui, Lu Wang, Guoning Chen, Shuhua Ji, Shiwei Zhao, Hui Wang, Zhimin Luo, Aiguo Zeng, Qiang Fu
MicroRNA (miRNA) is a promising biomarker that plays an important role in various biomedical applications, especially in cancer diagnosis. However, the current miRNA detection technology has inherent limitations such as complex operation, expensive testing cost and excessive detection time. In this study, a dual signal amplification biosensor based on DNA-functionalized metal-organic frameworks (MOFs) fluorescent probes, MFPBiosensor, was established for the enzyme-free and pretreatment-free detection of the colon cancer (CC) marker miR-23a...
April 17, 2024: Talanta
https://read.qxmd.com/read/38636134/development-of-dispersive-solid-phase-extraction-based-on-magnetic-metal-organic-framework-for-the-extraction-of-sunitinib-in-biological-samples-and-its-determination-by-high-performance-liquid-chromatography-tandem-mass-spectrometry
#8
JOURNAL ARTICLE
Mandana Hassani Nouriyeh, Mohammad Reza Afshar Mogaddam, Mahboob Nemati, Mir Ali Farajzadeh, Aysa Abbasalizadeh, Ali Shahedi Hojghan
Herein, a simple, sensitive, and reliable dispersive solid phase extraction was reported for the efficient extraction of sunitinib from biological samples. To facilitate the extraction of the desired analyte from urine and plasma samples, magnetic MIL-101Cr (NH2 ) @SiO2 @ NiFe2 O4 was synthesized by a hydrothermal method and applied as an effective sorbent during the extraction process. After adsorption of the drug using 10 mg of MIL-101Cr (NH2 ) @ SiO2 @ NiFe2 O4 nanoparticles through vortexing (1 min), the sorbent was separatedfrom the sample solution using a magnet...
March 29, 2024: Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences
https://read.qxmd.com/read/38627886/implications-of-defect-density-and-polymer-interactions-for-co2%C3%A2-capture-on-amine-functionalized-mil-101-cr
#9
JOURNAL ARTICLE
Rachel A Yang, Stanley Cho, Sydney N Hughes, Michele L Sarazen
Rising anthropogenic carbon emissions have dire environmental consequences, necessitating remediative approaches, which includes use of solid sorbents. Here, aminopolymers (poly(ethylenimine) (PEI) and poly(propylenimineimine) (PPI)) are supported within solid mesoporous MIL-101(Cr) to examine effects of support defect density on aminopolymer-MOF interactions for CO2 uptake and stability during uptake-regeneration cycles. Using simulated flue gas (10 % CO2 in He), MIL-101(Cr)-ρhigh (higher defect density) shows 33 % higher uptake capacity per gram adsorbent than MIL-101(Cr)-ρlow (lower defect density) at 308 K, consistent with increased availability of undercoordinated Cr adsorption sites at missing linker defects...
April 16, 2024: ChemSusChem
https://read.qxmd.com/read/38621343/the-optimal-treatment-for-patients-with-stage-i-non-small-cell-lung-cancer-minimally-invasive-lobectomy-versus-stereotactic-ablative-radiotherapy-a-nationwide-cohort-study
#10
JOURNAL ARTICLE
Julianne Cynthia de Ruiter, Vincent van der Noort, Judi Nani Annet van Diessen, Egbert Frederik Smit, Ronald Alphons Maria Damhuis, Koen Johan Hartemink
OBJECTIVES: The aim of the Early-Stage LUNG cancer (ESLUNG) study was to compare outcomes after minimally invasive lobectomy (MIL) and stereotactic ablative radiotherapy (SABR) in patients with stage I non-small cell lung cancer (NSCLC). MATERIALS AND METHODS: In this retrospective cohort study, patients with clinical stage I NSCLC (according to TNM7), treated in 2014-2016 with MIL or SABR, were included. 5-year overall survival (OS) and recurrence-free survival (RFS) were calculated and compared between patients treated with MIL and a propensity score (PS)-weighted SABR population with characteristics comparable to those of the MIL group...
April 12, 2024: Lung Cancer: Journal of the International Association for the Study of Lung Cancer
https://read.qxmd.com/read/38619658/a-metal-organic-framework-and-quantum-dot-based-ratiometric-fluorescent-probe-for-the-detection-of-formaldehyde-in-food
#11
JOURNAL ARTICLE
Chen Chen, Zhigang Liang, Xinyang Li, Feifei Xu, Guanhong Xu, Fangdi Wei, Jing Yang, Qin Hu, Yao Cen
A green and sensitive ratio fluorescence strategy was proposed for the detection of formaldehyde (FA) in food based on a kind of metal-organic frameworks (MOFs), MIL-53(Fe)-NO2 , and nitrogen-doped Ti3 C2 MXene quantum dots (N-Ti3 C2 MQDs) with a blue fluorescence at 450 nm. As a type of MOFs with oxidase-like activity, MIL-53(Fe)-NO2 can catalyze o-phenylenediamine (OPD) into yellow fluorescent product 2,3-diaminophenazine (DAP) with a fluorescent emission at 560 nm. DAP has the ability to suppress the blue light of N-Ti3 C2 MQDs due to inner filter effect (IFE)...
April 15, 2024: Mikrochimica Acta
https://read.qxmd.com/read/38617668/oxaliplatin-loaded-mil-100-fe-for-chemotherapy-ferroptosis-combined-therapy-for-gastric-cancer
#12
JOURNAL ARTICLE
Boyao Sun, Xuewei Zheng, Xiaoyu Zhang, Huaiyu Zhang, Yang Jiang
Oxaliplatin (Oxa) is a commonly used chemotherapy drug in the treatment of gastric cancer, but its toxic side effects and drug resistance after long-term use have seriously limited its efficacy. Loading chemotherapy drugs with nanomaterials and delivering them to the tumor site are common ways to overcome the above problems. However, nanomaterials as carriers do not have therapeutic functions on their own, and the effect of single chemotherapy is relatively limited, so there is still room for progress in related research...
April 9, 2024: ACS Omega
https://read.qxmd.com/read/38614397/metal-organic-framework-anchored-onto-biowaste-mediated-carbon-material-rgo-for-remediation-of-chromium-vi-by-the-photocatalytic-process
#13
JOURNAL ARTICLE
S Sathish, K Satish Kumar, Siddharth U, D Prabu, M Karthikeyan, Venkatesan D, Supriya S, Andal P, Omirserik Baigenzhenov, Aravind Kumar J
Groundwater contaminated with hexavalent chromium Cr(VI) causes serious health concerns for the ecosystem. In this study, a hybrid amino functionalized MOF@rGO nanocatalyst was produced by utilization of a biowaste mediated carbon material (reduced graphene oxide; rGO) and its surface was modified by in situ synthesis of a nanocrystalline, mixed ligand octahedral MOF containing iron metal and NH2 functional groups and the prepared composite was investigated for Cr (VI) removal. The photocatalytic degradation of Cr(VI) in aqueous solutions was carried out under UV irradiation...
April 11, 2024: Chemosphere
https://read.qxmd.com/read/38613979/ultrathin-photonic-crystal-based-on-photo-crosslinked-polymer-and-metal-organic-framework-for-highly-sensitive-detection-and-discrimination-of-benzene-series-vapors
#14
JOURNAL ARTICLE
Lei Gao, Donghui Kou, Ruicheng Lin, Wei Ma, Shufen Zhang
Volatile organic compounds (VOCs) have always been a major concern as a global environmental problem. As a low-cost, high-efficiency and visual sensor, photonic crystals (PCs) have been actively studied in VOCs detection. Herein, a one-dimensional PC sensor for visual sensing of highly toxic benzene series VOC vapors is prepared for the first time by integrating a new photo-crosslinked polymer-poly(styrene-benzoylphenyl acrylate) P(St-BPA) and a high specific surface area metal-organic framework (MOF) MIL-101(Cr)...
April 9, 2024: Journal of Colloid and Interface Science
https://read.qxmd.com/read/38613752/robust-and-stable-superhydrophilic-mil-101-cr-coated-copper-mesh-for-highly-efficient-oil-water-emulsion-separation
#15
JOURNAL ARTICLE
Fatemeh Hassani, Abdolreza Aroujalian, Alimorad Rashidi
In this study, dip coating method was investigated to prepare superhydrophilic MIL-101 (Cr)-coated copper mesh for highly efficient oil/water emulsion separation. To increase the surface area of synthesized MIL-101 (Cr), a purification procedure was developed to remove unreacted H2 BDC crystals present in the channel of the initial MIL-101 (Cr) sample synthesized. After that, a dispersing solution of MIL-101 (Cr) was needed to coat on the copper mesh. Thermoplastic polyurethane (TPU) was used as a binder in this procedure...
April 13, 2024: Environmental Science and Pollution Research International
https://read.qxmd.com/read/38611767/degradation-of-orange-g-using-pms-triggered-by-nh-2-mil-101-fe-an-amino-functionalized-metal-organic-framework
#16
JOURNAL ARTICLE
Lijie Mo, Guangzhou Chen, Hua Wang
As an azo dye, OG has toxic and harmful effects on ecosystems. Therefore, there is an urgent need to develop a green, environmentally friendly, and efficient catalyst to activate peroxymonosulfate (PMS) for the degradation of OG. In this study, the catalysts MIL-101(Fe) and NH2 -MIL-101(Fe) were prepared using a solvothermal method to carry out degradation experiments. They were characterized by means of XRD, SEM, XPS, and FT-IR, and the results showed that the catalysts were successfully prepared. Then, a catalyst/PMS system was constructed, and the effects of different reaction systems, initial pH, temperature, catalyst dosing, PMS concentration, and the anion effect on the degradation of OG were investigated...
March 27, 2024: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://read.qxmd.com/read/38611219/investigation-on-the-correlation-between-biaxial-stretching-process-and-macroscopic-properties-of-bopa6-film
#17
JOURNAL ARTICLE
Bowen Li, Guangkai Liao, Yuankang Li, Haomin Yin, Lingna Cui, Kaikai Cao, Zhenyan Xie, Jiaxin Liu, Yuejun Liu
Biaxially oriented polyamide 6 (BOPA6) films were prepared by extrusion casting and biaxial stretching with polyamide 6. The effects of different biaxially oriented on the macroscopic properties of BOPA6 were investigated by characterizing the rheological, crystallization, optical, barrier and mechanical properties. The results show that the increase of stretching temperature leads to the diffusion and regular stacking rate of BOPA6 chain segments towards crystal nuclei increases, the relative crystallinity increases, reaching 27...
April 1, 2024: Polymers
https://read.qxmd.com/read/38609255/feni-mil-88b-based-electrochemiluminescence-immunosensor-for-ultra-sensitive-detection-of-cd44-protein-via-dual-quenching-strategy
#18
JOURNAL ARTICLE
Haiyang Li, Li Dai, Qiuyu Huang, Jianxi Song, Lipeng Liu, Yan Li, Hongmin Ma, Qin Wei
BACKGROUND: Cluster of Differentiation 44 (CD44) is considered an important biomarker for various cancers, and achieving highly sensitive detection of CD44 is crucial, which plays a significant role in tumor invasion and metastasis, providing essential information for clinical tumor diagnosis. Commonly used methods for analysis include fluorescence spectroscopy (FL), photoelectrochemical analysis (PEC), electrochemical analysis (EC), and commercial ELISA kits. Although these methods offer high sensitivity, they can be relatively complex to perform experimentally...
May 15, 2024: Analytica Chimica Acta
https://read.qxmd.com/read/38608349/prodiv-prototype-driven-consistent-pseudo-bag-division-for-whole-slide-image-classification
#19
JOURNAL ARTICLE
Rui Yang, Pei Liu, Luping Ji
BACKGROUND AND OBJECTIVE: Pathology image classification is one of the most essential auxiliary processes in cancer diagnosis. To overcome the problem of inadequate Whole-Slide Image (WSI) samples with weak labels, pseudo-bag-based multiple instance learning (MIL) methods have attracted wide attention in pathology image classification. In this type of method, the division scheme of pseudo-bags is usually a primary factor affecting classification performance. In order to improve the division of WSI pseudo-bags on existing random/clustering approaches, this paper proposes a new Prototype-driven Division (ProDiv) scheme for the pseudo-bag-based MIL classification framework on pathology images...
April 8, 2024: Computer Methods and Programs in Biomedicine
https://read.qxmd.com/read/38599648/work-related-physical-strain-and-development-of-joint-inflammation-in-the-trajectory-of-emerging-inflammatory-and-rheumatoid-arthritis-a-prospective-cohort-study
#20
JOURNAL ARTICLE
Bastiaan T van Dijk, Anna M P Boeren, Sarah J H Khidir, Nikolet K den Hollander, Annette H M van der Helm-van Mil
OBJECTIVES: Rheumatoid arthritis (RA) mainly affects small joints. Despite the mechanical function of joints, the role of mechanical stress in the development of arthritis is insufficiently understood. We hypothesised that mechanical stress/physical strain is a risk factor for joint inflammation in RA. Therefore, we studied work-related physical strain in subjects with clinically suspected arthralgia (CSA) as a risk factor for the presence of imaging-detected subclinical joint inflammation and the development of clinical arthritis/RA...
April 9, 2024: RMD Open
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