keyword
https://read.qxmd.com/read/38537152/ligand-field-sensitive-spin-acceleration-in-the-iron-catalyzed-2-2-cycloaddition-of-unactivated-alkenes-and-dienes
#1
JOURNAL ARTICLE
Hanna H Cramer, Coralie Duchemin, Carli B Kovel, Junho Kim, Matthew V Pecoraro, Paul J Chirik
Redox-active pyridine(diimine) (PDI) iron catalysts promote the reversible [2 + 2] cycloaddition of alkenes and dienes to cyclobutane derivatives that have applications ranging from fuels to chemically recyclable polymers. Metallacycles were identified as key intermediates, and spin crossover from the singlet to the triplet surface was calculated to facilitate the reductive coupling step responsible for the formation of the four-membered ring. In this work, a series of sterically and electronically differentiated PDI ligands was studied for the [2 + 2] cycloaddition of ethylene and butadiene to vinylcyclobutane...
March 27, 2024: Journal of the American Chemical Society
https://read.qxmd.com/read/38536957/bismuth-doping-boosting-na-diffusion-kinetics-of-layered-oxide-cathode-with-radially-oriented-010-active-lattice-facet-for-sodium-ion-batteries
#2
REVIEW
Yu-Xin Chang, Yu-Jie Guo, Ya-Xia Yin, Wei-Huan He, Mengmeng Yan, Li-Rong Zheng, Jing Zhang, Qinghua Zhang, Dong Su, Xing Zhang, Jianfeng Mao, Guanjie Li, Shilin Zhang, Sailong Xu
O3-type layered oxide cathodes (Na x TMO2 ) for sodium-ion batteries (SIBs) have attracted significant attention as one of the most promising potential candidates for practical energy storage applications. The poor Na+ diffusion kinetics is, however, one of the major obstacles to advancing large-scale practical application. Herein, we report bismuth-doped O3-NaNi0.5 Mn0.5 O2 (NMB) microspheres consisting of unique primary nanoplatelets with the radially oriented {010} active lattice facets. The NMB combines the advantages of the oriented and exposed electrochemical active planes for direct paths of Na+ diffusion, and the thick primary nanoplatelets for less surface parasitic reactions with the electrolyte...
March 27, 2024: ACS Applied Materials & Interfaces
https://read.qxmd.com/read/38536892/subgraph-isomorphic-decision-tree-to-predict-radical-thermochemistry-with-bounded-uncertainty-estimation
#3
JOURNAL ARTICLE
Hao-Wei Pang, Xiaorui Dong, Matthew S Johnson, William H Green
Detailed chemical kinetic models offer valuable mechanistic insights into industrial applications. Automatic generation of reliable kinetic models requires fast and accurate radical thermochemistry estimation. Kineticists often prefer hydrogen bond increment (HBI) corrections from a closed-shell molecule to the corresponding radical for their interpretability, physical meaning, and facilitation of error cancellation as a relative quantity. Tree estimators, used due to limited data, currently rely on expert knowledge and manual construction, posing challenges in maintenance and improvement...
March 27, 2024: Journal of Physical Chemistry. A
https://read.qxmd.com/read/38536820/changes-in-sars-cov-2-viral-load-and-titers-over-time-in-sars-cov-2-infected-human-corpses
#4
JOURNAL ARTICLE
Sayaka Nagasawa, Yuichiro Hirata, Sho Miyamoto, Seiya Ozono, Shun Iida, Harutaka Katano, Shigeki Tsuneya, Kei Kira, Susumu Kobayashi, Makoto Nakajima, Hiroyuki Abe, Masako Ikemura, Isao Yamamoto, Kimiko Nakagawa, Kazumi Kubota, Shinji Akitomi, Iwao Hasegawa, Tetsuo Ushiku, Tadaki Suzuki, Hirotaro Iwase, Yohsuke Makino, Hisako Saitoh
High viral titers of infectious severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) have been detected in human corpses long after death. However, little is known about the kinetics of infectious SARS-CoV-2 in corpses. In this case series study, we investigated the postmortem kinetics of infectious SARS-CoV-2 in human corpses by collecting nasopharyngeal swab samples at multiple time points from six SARS-CoV-2-infected patients after their death. SARS-CoV-2 RNA was detected by quantitative reverse transcription-polymerase chain reaction from nasopharyngeal swab samples collected from all six deceased patients...
2024: PloS One
https://read.qxmd.com/read/38536719/evaluation-of-the-impact-of-antibody-fragments-on-aggregation-of-intact-molecules-via-size-exclusion-chromatography-coupled-with-native-mass-spectrometry
#5
JOURNAL ARTICLE
Jing Xu, John E Coughlin, Malgorzata Szyjka, Serene Jabary, Sonal Saluja, Zoran Sosic, Yunqiu Chen, Chong-Feng Xu
Aggregates are recognized as one of the most critical product-related impurities in monoclonal antibody (mAb)-based therapeutics due to their negative impact on the stability and safety of the drugs. So far, investigational efforts have primarily focused on understanding the causes and effects of mAb self-aggregation, including both internal and external factors. In this study, we focused on understanding mAb stability in the presence of its monovalent fragment, formed through hinge cleavage and loss of one Fab unit (referred to as "Fab/c"), a commonly observed impurity during manufacturing and stability...
2024: MAbs
https://read.qxmd.com/read/38536615/quantification-of-unencapsulated-drug-in-target-tissues-demonstrates-pharmacological-properties-and-therapeutic-effects-of-liposomal-topotecan-ff-10850
#6
JOURNAL ARTICLE
Toshifumi Kimura, Ken Okada, Yasushi Morohashi, Yukio Kato, Mikinaga Mori, Hiroshi Kato, Takeshi Matsumoto, Susumu Shimoyama
PURPOSE: Quantifying unencapsulated drug concentrations in tissues is crucial for understanding the mechanisms underlying the efficacy and safety of liposomal drugs; however, the methodology for this has not been fully established. Herein, we aimed to investigate the enhanced therapeutic potential of a pegylated liposomal formulation of topotecan (FF-10850) by analyzing the concentrations of the unencapsulated drug in target tissues, to guide the improvement of its dosing regimen. METHODS: We developed a method for measuring unencapsulated topotecan concentrations in tumor and bone marrow interstitial fluid (BM-ISF) and applied this method to pharmacokinetic assessments...
March 27, 2024: Pharmaceutical Research
https://read.qxmd.com/read/38536573/sodium-hydroxide-magnesium-chloride-multistage-activated-sludge-biochar-interfacial-chemical-behavior-and-cd-ii-adsorption-performance
#7
JOURNAL ARTICLE
Chao Yan, Guojun Cai
To enhance the adsorption performance of municipal sludge biochar on Cd(II), modified sludge biochar was prepared by sodium hydroxide/magnesium chloride (NaOH/MgCl2 ) graded activation, and the Cd(II) adsorption performance on sludge biochar (BC), NaOH-activated sludge biochar (NBC) and NaOH/MgCl2 activated sludge biochar (NBC-Mg) was investigated. The results showed that NaOH/MgCl2 graded activation upgraded the surface structure and enhanced the graphitization of sludge biochar. The adsorption experiments indicated that the adsorption kinetic and adsorption isotherm for Cd(II) were in accordance with the pseudo second-order kinetic and Langmuir model...
March 27, 2024: Environmental Science and Pollution Research International
https://read.qxmd.com/read/38536484/kinetic-modeling-and-optimization-of-the-mono-and-diglycerides-synthesis-mediated-by-the-lipase-lipozyme%C3%A2-tl-100-l-immobilized-on-clayey-support
#8
JOURNAL ARTICLE
George F Finco, Edson A da Silva, Fernando Palú, Márcia R F Klen, Karina G Fiametti, João H C Wancura, J Vladimir Oliveira
Mono- and diglycerides play a crucial role in the food industry as multifunctional food additives and emulsifiers. Their importance stems from their unique properties, which allow them to improve the quality, texture, and stability of various food products. Here, results of the kinetic modeling of the mono- and diglycerides synthesis mediated by the lipase Lipozyme® TL 100 L immobilized on the clayey support Spectrogel® type C are reported. The support was characterized by TEM, SEM, and FTIR. Firstly, the influence of pH and lipase load on the immobilization process was analyzed, resulting in an enzymatic activity of 93...
March 27, 2024: Bioprocess and Biosystems Engineering
https://read.qxmd.com/read/38536069/copper-catalysed-electrophilic-carboamination-of-terminal-alkynes-with-benzyne-looked-at-through-the-computational-lens
#9
JOURNAL ARTICLE
Sven Tobisch
A detailed computational mechanistic study of the copper-catalysed three-component-type electrophilic carboamination of terminal alkynes with benzyne and an archetypal O -benzoylhydroxylamine electrophile is presented. Probing various plausible pathways for relevant elementary steps and scrutinising performance degradation pathways, with the aid of a reliable computational protocol applied to a realistic catalyst model combined with kinetic analysis, identified the pathways preferably traversed in productive catalysis...
March 27, 2024: Dalton Transactions: An International Journal of Inorganic Chemistry
https://read.qxmd.com/read/38535963/electrospinning-chitosan-fe-mn-nanofibrous-composite-for-efficient-and-rapid-removal-of-arsenite-from-water
#10
JOURNAL ARTICLE
Lingli Min, Yahui Ma, Bi Zhang, Dulan He, Jinhua Chen, Xuerong Li, Shuhua Wang, Yulang Chi
Efficient removal of extremely mobile and toxic As(III) from water is a challenging but critical task. Herein, we developed a functionalized sorbent of chitosan nanofiber with iron-manganese (Fe-Mn@CS NF) using a one-step hybrid electrospinning approach to remove trace As(III) from water. Batch adsorption studies were performed to determine the adsorption efficiency under a variety of conditions, including contact time, starting concentration of As(III), ionic strength, and the presence of competing anions...
March 21, 2024: Toxics
https://read.qxmd.com/read/38535940/persulfate-based-advanced-oxidation-process-for-chlorpyrifos-degradation-mechanism-kinetics-and-toxicity-assessment
#11
JOURNAL ARTICLE
Youxin Xu, Chenxi Zhang, Haobing Zou, Guangrong Chen, Xiaomin Sun, Shuguang Wang, Huifang Tian
Persulfate-based advanced oxidation process has been proven to be a promising method for the toxic pesticide chlorpyrifos (CPY) degradation in wastewater treatment. However, due to the limitation for the short-lived intermediates detection, a comprehensive understanding for the degradation pathway remains unclear. To address this issue, density functional theory was used to analyze the degradation mechanism of CPY at the M06-2X/6-311++G(3df,3pd)//M06-2X/6-31+G(d,p) level, and computational toxicology methods were employed to explore the toxicity of CPY and its degradation products...
March 9, 2024: Toxics
https://read.qxmd.com/read/38535914/adsorption-and-desorption-behavior-and-mechanism-of-ruthenium-in-nitrite-nitric-acid-system
#12
JOURNAL ARTICLE
Cong Li, Chao Xie, Tianjiao Jiang, Lifeng Chen, Shunyan Ning, Caiwu Luo, Qi Zheng, Ji Wang, Yuezhou Wei
Ruthenium is required to separate from high-level liquid waste (HLLW) because Ru is a valuable resource and is negatively influential on the vitrification process of HLLW. However, the separation of Ru is very challenging due to its complicated complexation properties. In this study, the adsorption and desorption characteristics of ruthenium on a synthesized SiPyR-N3 (weak-base anion exchange resin with pyridine functional groups) composite were investigated in nitric acid and nitrite-nitric acid systems, respectively, and the adsorption mechanism was explored...
February 27, 2024: Toxics
https://read.qxmd.com/read/38535885/a-longitudinal-study-in-tunisia-to-assess-the-anti-rbd-igg-and-iga-responses-induced-by-three-different-covid-19-vaccine-platforms
#13
JOURNAL ARTICLE
Wafa Ben Hamouda, Mariem Hanachi, Sonia Ben Hamouda, Wafa Kammoun Rebai, Adel Gharbi, Amor Baccouche, Jihene Bettaieb, Oussema Souiai, Mohamed Ridha Barbouche, Koussay Dellagi, Melika Ben Ahmed, Chaouki Benabdessalem
BACKGROUND: Vaccination constitutes the best strategy against COVID-19. In Tunisia, seven vaccines standing for the three main platforms, namely RNA, viral vector, and inactivated vaccines, have been used to vaccinate the population at a large scale. This study aimed to assess, in our setting, the kinetics of vaccine-induced anti-RBD IgG and IgA antibody responses. METHODS: Using in-house developed and validated ELISA assays, we measured anti-RBD IgG and IgA serum antibodies in 186 vaccinated workers at the Institut Pasteur de Tunis over 12 months...
March 13, 2024: Tropical Medicine and Infectious Disease
https://read.qxmd.com/read/38535802/unveiling-the-broad-substrate-specificity-of-deoxynivalenol-oxidation-enzyme-depa-and-its-role-in-detoxifying-trichothecene-mycotoxins
#14
JOURNAL ARTICLE
Yan Zhu, Edicon Tze Shun Chan, Nadine Abraham, Xiu-Zhen Li, Weijun Wang, Lili Mats, Honghui Zhu, Jason Carere, Ting Zhou
DepA, a pyrroloquinoline quinone (PQQ)-dependent enzyme isolated from Devosia mutans 17-2-E-8, exhibits versatility in oxidizing deoxynivalenol (DON) and its derivatives. This study explored DepA's substrate specificity and enzyme kinetics, focusing on DON and 15-acetyl-DON. Besides efficiently oxidizing DON, DepA also transforms 15-acetyl-DON into 15-acetyl-3-keto-DON, as identified via LC-MS/MS and NMR analysis. The kinetic parameters, including the maximum reaction rate, turnover number, and catalytic efficiency, were thoroughly evaluated...
March 5, 2024: Toxins
https://read.qxmd.com/read/38535737/impact-force-and-velocities-for-kicking-strikes-in-combat-sports-a-literature-review
#15
REVIEW
Daniel Corcoran, Mike Climstein, John Whitting, Luke Del Vecchio
Kicking strikes are fundamental in combat sports such as Taekwondo, karate, kickboxing, Muay Thai, and mixed martial arts. This review aimed to explore the measurement methods, kinematics such as velocities, kinetics such as impact force, determinants, and injury potential of kicking strikes in combat sports. Searches of Academic Search Premier, The Allied and Complementary Medicine Database, CINAHL Plus, MEDLINE, SPORTDiscus, Scopus, and Web of Science databases were conducted for studies that measured kicking velocity and impact force...
March 6, 2024: Sports
https://read.qxmd.com/read/38535698/short-chain-sulfur-confined-into-nitrogen-doped-hollow-carbon-nanospheres-for-high-capacity-potassium-storage
#16
JOURNAL ARTICLE
Wenhan Liu, Tengfei Shi, Fang Liu, Chen Yang, Fan Qiao, Kang Han, Chunhua Han, Jiashen Meng, Xuanpeng Wang
Carbon-based materials are one of the ideal negative electrode materials for potassium ion batteries. However, the limited active sites and sluggish diffusion ion kinetics still hinder its commercialization process. To address these problems, we design a novel carbon composite anode, by confining highly reactive short-chain sulfur molecules into nitrogen-doped hollow carbon nanospheres (termed SHC-450). The formation process involves the controlled synthesis of hollow polyaniline (PANI) nanospheres as precursors via an Ostwald ripening mechanism and subsequent sulfuration treatment...
March 20, 2024: Nanomaterials
https://read.qxmd.com/read/38535692/efficient-and-selective-removal-of-palladium-from-simulated-high-level-liquid-waste-using-a-silica-based-adsorbent-ntaamide-c8-sio-2-p
#17
JOURNAL ARTICLE
Jiaxuan Shi, Junli Wang, Wentao Wang, Xuan Wu, Hui Wang, Jianwei Li
In order to realize the effective separation of palladium from high-level liquid waste (HLLW), a ligand-supported adsorbent (NTAamide(C8)/SiO2 -P) was prepared by the impregnation method in a vacuum. The SiO2 -P carrier was synthesized by in situ polymerization of divinylbenzene and styrene monomers on a macroporous silica skeleton. The NTAamide(C8)/SiO2 -P adsorbent was fabricated by impregnating an NTAamide(C8) ligand into the pore of a SiO2 -P carrier under a vacuum condition. The adsorption performance of NTAamide(C8)/SiO2 -P in nitric acid medium has been systematically studied...
March 20, 2024: Nanomaterials
https://read.qxmd.com/read/38535684/rational-design-of-a-portable-chemometric-assisted-voltammetric-sensor-based-on-ion-imprinted-polymeric-film-for-co-ii-determination-in-water
#18
JOURNAL ARTICLE
Sabrina Di Masi, Nelson Arturo Manrique Rodriguez, Marco Costa, Giuseppe Egidio De Benedetto, Cosimino Malitesta
Herein, chemometric-assisted synthesis of electrochemical sensors based on electropolymerised ion-imprinted polymeric (e-IIP) films was explored. Co(II)-IIPs sensors were prepared by performing electropolymerisation procedures of polymerisation mixtures comprising varying concentrations of an electroactive o-aminophenol (o-AP) monomer and Co(II) ions, respectively, according to the Taguchi L9 experimental design, exploiting the simultaneous evaluation of other controlled parameters during electrosynthesis. Each e-IIP developed from Taguchi runs was compared with the respective non-imprinted polymer (NIP) films and fitted according to Langmuir-Freudlich isotherms...
March 18, 2024: Nanomaterials
https://read.qxmd.com/read/38535671/enhanced-adsorption-of-methylene-blue-dye-on-functionalized-multi-walled-carbon-nanotubes
#19
JOURNAL ARTICLE
Ludovica Ceroni, Stefania Benazzato, Samuel Pressi, Laura Calvillo, Ester Marotta, Enzo Menna
Carbon nanomaterials are promising adsorbents for dye removal from wastewater also due to their possible surface functionalization that, in principle, can increase the adsorption rate and provide regeneration. To investigate the real advantages of functionalization, we synthesized and characterized through IR, TGA, TEM, XPS and DLS measurements a multi-walled carbon nanotube (MWCNT) derivative bearing benzenesulfonate groups (MWCNT-S). The obtained material demonstrated to have good dispersibility in water and better capability to adsorb methylene blue (MB) compared to the pristine MWCNT adsorbent...
March 14, 2024: Nanomaterials
https://read.qxmd.com/read/38535656/automated-monitoring-system-for-suspended-photocatalytic-batch-reactions-based-on-online-circulatory-spectrophotometry
#20
JOURNAL ARTICLE
Da-Peng Lei, Jian-Hua Huang
Employing an automated monitoring system (AMS) for data acquisition offers benefits, such as reducing the workload, in the kinetic study of suspended photocatalytic batch reactions. However, the current methods in this field tend to narrowly focus on the substrate and often overlook the optical characteristics of both the mixture and solid particles. To address this limitation, in this study, we propose a novel AMS based on online circulatory spectrophotometry (OCS) and incorporate debubbling, aeration, and segmented flow (DAS), named DAS-OCS-AMS...
March 12, 2024: Nanomaterials
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