keyword
https://read.qxmd.com/read/38547315/one-shot-single-cell-proteome-and-metabolome-analysis-strategy-for-the-same-single-cell
#21
JOURNAL ARTICLE
Jie Wu, Qin-Qin Xu, Yi-Rong Jiang, Jian-Bo Chen, Wei-Xin Ying, Qian-Xi Fan, Hui-Feng Wang, Yu Wang, Shao-Wen Shi, Jian-Zhang Pan, Qun Fang
Characterizing the profiles of proteome and metabolome at the single-cell level is of great significance in single-cell multiomic studies. Herein, we proposed a novel strategy called one-shot single-cell proteome and metabolome analysis (scPMA) to acquire the proteome and metabolome information in a single-cell individual in one injection of LC-MS/MS analysis. Based on the scPMA strategy, a total workflow was developed to achieve the single-cell capture, nanoliter-scale sample pretreatment, one-shot LC injection and separation of the enzyme-digested peptides and metabolites, and dual-zone MS/MS detection for proteome and metabolome profiling...
March 28, 2024: Analytical Chemistry
https://read.qxmd.com/read/38547313/distribution-of-2-2-5-5-tetrachlorobiphenyl-pcb52-metabolites-in-adolescent-rats-after-acute-nose-only-inhalation-exposure
#22
JOURNAL ARTICLE
Amanda J Bullert, Xueshu Li, Binita Gautam, Hui Wang, Andrea Adamcakova-Dodd, Kai Wang, Peter S Thorne, Hans-Joachim Lehmler
Inhalation of PCB-contaminated air is increasingly recognized as a route for PCB exposure. Because limited information about the disposition of PCBs following inhalation exposure is available, this study investigated the disposition of 2,2',5,5'-tetrachlorobiphenyl (PCB52) and its metabolites in rats following acute, nose-only inhalation of PCB52. Male and female Sprague-Dawley rats (50-58 days of age, 210 ± 27 g; n = 6) were exposed for 4 h by inhalation to approximately 14 or 23 μg/kg body weight of PCB52 using a nose-only exposure system...
March 28, 2024: Environmental Science & Technology
https://read.qxmd.com/read/38547240/discovery-and-optimization-of-novel-nonbile-acid-fxr-agonists-as-preclinical-candidates-for-the-treatment-of-inflammatory-bowel-disease
#23
JOURNAL ARTICLE
Yuan Li, Tingting Xu, Yue Zhao, Hui Zhang, Zesheng Liu, Hao Wang, Chaoying Huang, Zhihao Shu, Lixin Gao, Rongrong Xie, Tingying Jiao, Dan Zhang, Dong Zhang, Xuewu Liang, Yi Zang, Yili Sun, Hong Liu, Jia Li, Yu Zhou
Inflammatory bowel disease (IBD) is a multifactorial chronic inflammation of the intestine and has become a global public health concern. A farnesoid X receptor (FXR) was recently reported to play a key role in hepatic-intestinal circulation, intestinal metabolism, immunity, and microbial regulation, and thus, it becomes a promising therapeutic target for IBD. In this study, we identified a series of nonbile acid FXR agonists, in which 33 novel compounds were designed and synthesized by the structure-based drug design strategy from our previously identified hit compound...
March 28, 2024: Journal of Medicinal Chemistry
https://read.qxmd.com/read/38547140/high-breakthrough-pressure-in-hydrogels-enabled-ultrastable-treatment-of-hypersaline-wastewaters
#24
JOURNAL ARTICLE
Yanni Ma, Zehua Yu, Xifan Fu, Tenghui Qiu, Na Zhao, Huidong Liu, Zhi Huang, Kang Liu
Surface effects of low-surface-tension contaminants accumulating at the evaporation surface easily induce wetting in membrane distillation, especially in hypersaline scenarios. Herein, we propose a novel strategy to eliminate the surface effect and redistribute contaminants at the evaporation interface simply by incorporating a layer of hydrogel. The as-fabricated composite membrane exhibits remarkable stability, even when exposed to solution with salt concentration of 5 M and surfactant concentration of 8 mM...
March 28, 2024: Nano Letters
https://read.qxmd.com/read/38547129/human-airway-organoids-and-multimodal-imaging-based-toxicity-evaluation-of-1-nitropyrene
#25
JOURNAL ARTICLE
Yingyan Zhou, Cun Li, Yanyan Chen, Yifei Yu, Xin Diao, Raymond Chiu, Jiacheng Fang, Yuting Shen, Jianing Wang, Lin Zhu, Jie Zhou, Zongwei Cai
Despite significant advances in understanding the general health impacts of air pollution, the toxic effects of air pollution on cells in the human respiratory tract are still elusive. A robust, biologically relevant in vitro model for recapitulating the physiological response of the human airway is needed to obtain a thorough understanding of the molecular mechanisms of air pollutants. In this study, by using 1-nitropyrene (1-NP) as a proof-of-concept, we demonstrate the effectiveness and reliability of evaluating environmental pollutants in physiologically active human airway organoids...
March 28, 2024: Environmental Science & Technology
https://read.qxmd.com/read/38547118/penicilloneines-a-and-b-quinolone-citrinin-hybrids-from-a-starfish-derived-penicillium-sp
#26
JOURNAL ARTICLE
Hao Fan, Xue-Hua Shao, Ze-Kun Zhang, Chen Ni, Chan Feng, Xia Wei, Jia-Qi Zhu, Xiao-Hui Li, Cui-Xian Zhang
Penicilloneines A ( 1 ) and B ( 2 ) are the first reported quinolone-citrinin hybrids. They were isolated from the starfish-derived fungus Penicillium sp. GGF16-1-2, and their structures were elucidated using spectroscopic, chemical, computational, and single-crystal X-ray diffraction methods. Penicilloneines A ( 1 ) and B ( 2 ) share a common 4-hydroxy-1-methyl-2(1 H )-quinolone unit; however, they differ in terms of citrinin moieties, and these two units are linked via a methylene bridge. Penicilloneines A ( 1 ) and B ( 2 ) exhibited antifungal activities against Colletotrichum gloeosporioides , with lethal concentration 50 values of 0...
March 28, 2024: Journal of Natural Products
https://read.qxmd.com/read/38547112/force-fields-for-high-concentration-aqueous-koh-solutions-and-zincate-ions
#27
JOURNAL ARTICLE
Amalie L Frischknecht, Mark J Stevens
Motivated by increasing interest in electrochemical devices that include highly alkaline electrolytes, we investigated two force fields for potassium hydroxide (KOH) at high concentrations in water. The "FNB" model uses the SPC/E water model, while the "FHM" model uses the TIP4P/2005 water model. We also developed parameters to describe zincate ions in these solutions. The density and viscosity of KOH using the FHM model are in better agreement with experiment than the values from the FNB model. Comparing the properties of the zincate solutions to the available experimental data, we find that both force fields agree reasonably well, although the FHM parameters give a better prediction of the viscosity...
March 28, 2024: Journal of Physical Chemistry. B
https://read.qxmd.com/read/38547102/assessing-the-chemical-free-oxidation-of-trace-organic-chemicals-by-vuv-uv-as-an-alternative-to-conventional-uv-h-2-o-2
#28
JOURNAL ARTICLE
Wen-Long Wang, Zi-Bo Jing, Yi-Lin Zhang, Qian-Yuan Wu, Jörg E Drewes, Min-Yong Lee, Uwe Hübner
Low-pressure mercury lamps with high-purity quartz can emit both vacuum-UV (VUV, 185 nm) and UV (254 nm) and are commercially available and promising for eliminating recalcitrant organic pollutants. The feasibility of VUV/UV as a chemical-free oxidation process was verified and quantitatively assessed by the concept of H2 O2 equivalence (EQH2 O2 ), at which UV/H2 O2 showed the same performance as VUV/UV for the degradation of trace organic contaminants (TOrCs). Although VUV showed superior H2 O activation and oxidation performance, its performance highly varied as a function of light path length ( L p ) in water, while that of UV/H2 O2 proportionally decreased with decreasing H2 O2 dose regardless of L p ...
March 28, 2024: Environmental Science & Technology
https://read.qxmd.com/read/38547028/self-consistent-field-approach-for-the-variational-quantum-eigensolver-orbital-optimization-goes-adaptive
#29
JOURNAL ARTICLE
Aaron Fitzpatrick, Anton Nykänen, N Walter Talarico, Alessandro Lunghi, Sabrina Maniscalco, Guillermo García-Pérez, Stefan Knecht
We present a self-consistent field (SCF) approach within the adaptive derivative-assembled problem-tailored ansatz variational quantum eigensolver (ADAPT-VQE) framework for efficient quantum simulations of chemical systems on near-term quantum computers. To this end, our ADAPT-VQE-SCF approach combines the idea of generating an ansatz with a small number of parameters, resulting in shallow-depth quantum circuits with a direct minimization of an energy expression that is correct to second order with respect to changes in the molecular orbital basis...
March 28, 2024: Journal of Physical Chemistry. A
https://read.qxmd.com/read/38547005/cadmium-hydroxyl-chloride-with-balanced-band-gap-and-second-harmonic-generation-response
#30
JOURNAL ARTICLE
Bingjie Cai, Cheng Chen, Yunjie Bai, Qi Shi, Bingbing Zhang, Ying Wang
Ultraviolet (UV) nonlinear-optical (NLO) materials are crucial in laser technology due to their ability to modulate light frequency. In this work, when d10 cations, hydroxyl groups, and Cl atoms were combined, a cadmium double salt, Cd(OH)Cl, was synthesized by a simple hydrothermal method. It has a large phase-matched second-harmonic-generation (SHG) response at 1064 nm (2.5 × KDP) with a short UV-cutoff edge (260 nm), which can be applied in a solar-blind UV band. Theoretical calculations suggest that [Cd(OH)3 Cl3 ] groups lead to a large SHG response...
March 28, 2024: Inorganic Chemistry
https://read.qxmd.com/read/38546986/size-tunable-manganese-doped-spheroidal-cspbcl-3-quantum-dots
#31
JOURNAL ARTICLE
Patrick von Schwerin, Markus Döblinger, Tushar Debnath, Jochen Feldmann, Quinten A Akkerman
Manganese doping has been demonstrated as a versatile tool to tune the emission of CsPbCl3 nanocrystals (NCs). Although this has been demonstrated in nanocubes and nanoplatelets, strategies for doping Mn2+ in size-tunable, excitonic CsPbCl3 quantum dots (QDs) remain absent. In this work, we demonstrate the synthesis of size-tunable spheroidal CsPbCl3 :Mn2+ QDs, which can be obtained by a water-hexane interfacial combined anion and cation exchange strategy starting from CsPbBr3 QDs. Interestingly, the QDs exhibit a fast 0...
March 28, 2024: Journal of Physical Chemistry Letters
https://read.qxmd.com/read/38546977/multiscale-computational-framework-for-the-liquid-liquid-phase-separation-of-intrinsically-disordered-proteins
#32
JOURNAL ARTICLE
Kalindu S Fernando, Ghodsiehsadat Jahanmir, Ilona C Unarta, Ying Chau
The reversible assembly of intrinsically disordered proteins (IDPs) to form membraneless organelles (MLOs) is a fundamental process involved in the spatiotemporal regulation in living cells. MLOs formed via liquid-liquid phase separation (LLPS) serve as molecule-enhancing hubs to regulate cell functions. Owing to the complexity and dynamic nature of the protein assembly via a network of weak inter- and intra-molecular interactions, it is challenging to describe and predict the LLPS behavior. We have developed a multiscale computational model for IDPs, using the fused in sarcoma (FUS) protein and its variants as illustrative examples...
March 28, 2024: Langmuir: the ACS Journal of Surfaces and Colloids
https://read.qxmd.com/read/38546976/discovery-and-development-of-luvangetin-from-zanthoxylum-avicennae-as-a-new-fungicide-candidate-for-fusarium-verticillioides
#33
JOURNAL ARTICLE
Jiahuan Chen, Yuchen Zhou, Duxuan Liu, Xiaolan Lu, Haoyu Chen, Mengni Huang, Zhiqing Mao, Tao Zhang, Zhen He, Zhongmei Zou, Kun Zhang
Pathogenic fungi pose a significant threat to crop yields and human healthy, and the subsequent fungicide resistance has greatly aggravated these agricultural and medical challenges. Hence, the development of new fungicides with higher efficiency and greater environmental friendliness is urgently required. In this study, luvangetin, isolated and identified from the root of Zanthoxylum avicennae , exhibited wide-spectrum antifungal activity in vivo and in vitro . Integrated omics and in vitro and in vivo transcriptional analyses revealed that luvangetin inhibited GAL4-like Zn(II)2 Cys6 transcriptional factor-mediated transcription, particularly the FvFUM21-mediated FUM cluster gene expression, and decreased the biosynthesis of fumonisins in Fusarium verticillioides ...
March 28, 2024: Journal of Agricultural and Food Chemistry
https://read.qxmd.com/read/38546902/the-value-of-neutrophil-to-lymphocyte-ratio-in-predicting-severity-of-coronary-involvement-and-long-term-outcome-of-percutaneous-coronary-intervention-in-patients-with-acute-coronary-syndrome-a-systematic-review-and-meta-analysis
#34
REVIEW
Farzad Shahsanaei, Shahin Abbaszadeh, Soudabeh Behrooj, Nima Rahimi Petrudi, Bahareh Ramezani
BACKGROUND: The value of counting inflammatory cells and especially their counting ratio in predicting adverse clinical outcomes in patients with acute coronary syndrome (ACS) undergoing revascularization has been shown, but the results of studies have been very diverse and paradoxical. The aim of the current study was to systematically review the studies that investigated the role of increased neutrophil-to-lymphocyte ratio (NLR) in predicting long-term clinical outcomes in patients with acute coronary syndrome (ACS) undergoing percutaneous coronary intervention (PCI)...
March 28, 2024: Egyptian Heart Journal: EHJ
https://read.qxmd.com/read/38546877/melittin-phospholipase-a-2-synergism-is-mediated-by-liquid-liquid-miscibility-phase-transition-in-giant-unilamellar-vesicles
#35
JOURNAL ARTICLE
Sein Min, Cyrus Picou, Hye Jin Jeong, Adam Bower, Keunhong Jeong, Jean K Chung
The primary constituents of honeybee venom, melittin and phospholipase A2 (PLA2 ), display toxin synergism in which the PLA2 activity is significantly enhanced by the presence of melittin. It has been shown previously that this is accomplished by the disruption in lipid packing, which allows PLA2 to become processive on the membrane surface. In this work, we show that melittin is capable of driving miscibility phase transition in giant unilamellar vesicles (GUVs) and that it raises the miscibility transition temperature ( T misc ) in a concentration-dependent manner...
March 28, 2024: Langmuir: the ACS Journal of Surfaces and Colloids
https://read.qxmd.com/read/38546847/from-unregulated-networks-to-designed-microstructures-introducing-heterogeneity-at-different-length-scales-in-photopolymers-for-additive-manufacturing
#36
REVIEW
Mojtaba Ahmadi, Katharina Ehrmann, Thomas Koch, Robert Liska, Jürgen Stampfl
Photopolymers have been optimized as protective and decorative coating materials for decades. However, with the rise of additive manufacturing technologies, vat photopolymerization has unlocked the use of photopolymers for three-dimensional objects with new material requirements. Thus, the originally highly cross-linked, amorphous architecture of photopolymers cannot match the expectations for modern materials anymore, revealing the largely unanswered question of how diverse properties can be achieved in photopolymers...
March 28, 2024: Chemical Reviews
https://read.qxmd.com/read/38546839/c-h-n-h-and-o-h-bond-activations-to-prepare-phosphorescent-hydride-iridium-iii-phosphine-emitters-with-photocatalytic-achievement-in-c-c-coupling-reactions
#37
JOURNAL ARTICLE
María Benítez, María L Buil, Miguel A Esteruelas, Ana M López, Cristina Martín-Escura, Enrique Oñate
Complex IrH5 (Pi Pr3 )2 ( 1 ) activates two different σ-bonds of 3-phenoxy-1-phenylisoquinoline, 2-(1 H -benzimidazol-2-yl)-6-phenylpyridine, 2-(1 H -indol-2-yl)-6-phenylpyridine, 2-(2-hydroxyphenyl)-6-phenylpyridine, N -(2-hydroxyphenyl)- N '-phenylimidazolylidene, and 1,3-di(2-pyridyl)-4,6-dimethylbenzene to give IrH{κ3 - C,N,C -[C6 H4 -isoqui-O-C6 H4 ]}(Pi Pr3 )2 ( 2 ), IrH{κ3 - N,N,C -[NBzim-py-C6 H4 ]}(Pi Pr3 )2 ( 3 ), IrH{κ3 - N,N,C -[Ind-py-C6 H4 ]}(Pi Pr3 )2 ( 4 ), IrH{κ3 - C,N,O -[C6 H4 -py-C6 H4 O]}(Pi Pr3 )2 ( 5 ), IrH{κ3 - C,C,O -[C6 H4 -Im-C6 H4 O]}(Pi Pr3 )2 ( 6 ), and IrH{κ3 - N,C,C -[py-C6 HMe2 -C5 H3 N]}(Pi Pr3 )2 ( 7 ), respectively...
March 28, 2024: Inorganic Chemistry
https://read.qxmd.com/read/38546834/integrating-recombinase-polymerase-amplification-and-photosensitization-colorimetric-detection-in-one-tube-for-fast-screening-of-c-sakazakii-in-formula-milk-powder
#38
JOURNAL ARTICLE
Yanying Wang, Ting Zheng, Xianming Li, Peng Wu
Cronobacter sakazakii ( C. sakazakii ) is a widely existing opportunistic pathogen and thus threatens people with low immunity, especially infants. To prevent the outbreak, a rapid and accurate on-site testing method is required. The current standard culture-based method is time-consuming (3-4 days), while the nucleic acid amplification (PCR)-based detection is mostly carried out in central laboratories. Herein, isothermal recombinase polymerase amplification (RPA) coupled with a photosensitization colorimetric assay (PCA) was adopted for the on-site detection of C...
March 28, 2024: Analytical Chemistry
https://read.qxmd.com/read/38546823/drug-polymer-nanodroplet-formation-and-morphology-drive-solubility-enhancement-of-gdc-0810
#39
JOURNAL ARTICLE
Kaylee E Barr, Monica L Ohnsorg, Lucy Liberman, Louis G Corcoran, Apoorva Sarode, Karthik Nagapudi, Christina R Feder, Frank S Bates, Theresa M Reineke
Nanodroplet formation is important to achieve supersaturation of active pharmaceutical ingredients (APIs) in an amorphous solid dispersion. The aim of the current study was to explore how polymer composition, architecture, molar mass, and surfactant concentration affect polymer-drug nanodroplet morphology with the breast cancer API, GDC-0810. The impact of nanodroplet size and morphology on dissolution efficacy and drug loading capacity was explored using polarized light microscopy, dynamic light scattering, and cryogenic transmission electron microscopy...
March 28, 2024: Bioconjugate Chemistry
https://read.qxmd.com/read/38546820/computational-investigation-of-the-covalent-inhibition-mechanism-of-bruton-s-tyrosine-kinase-by-ibrutinib
#40
JOURNAL ARTICLE
Angela M Barragan, Kyle Ghaby, Matthew P Pond, Benoît Roux
Covalent inhibitors represent a promising class of therapeutic compounds. Nonetheless, rationally designing covalent inhibitors to achieve a right balance between selectivity and reactivity remains extremely challenging. To better understand the covalent binding mechanism, a computational study is carried out using the irreversible covalent inhibitor of Bruton tyrosine kinase (BTK) ibrutinib as an example. A multi-μs classical molecular dynamics trajectory of the unlinked inhibitor is generated to explore the fluctuations of the compound associated with the kinase binding pocket...
March 28, 2024: Journal of Chemical Information and Modeling
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