journal
https://read.qxmd.com/read/38528316/chemical-profiling-and-antioxidant-antimicrobial-and-hemolytic-properties-of-euphorbia-calyptrata-l-essential-oils-in-vitro-and-in-silico-analysis
#1
JOURNAL ARTICLE
Fatima El Kamari, Otmane Zouirech, Amira Metouekel, Mohammed Bouslamti, Imane Maliki, Abdelfattah El Moussaoui, Mohamed Chebaibi, Mohamed Taibi, Abdulaziz Abdullah Alsahli, Hiba-Allah Nafidi, Mohammed Bourhia, Musaab Dauelbait, Abdelfattah Abdellaoui
In this work, we sought to validate the use of Euphorbia calyptrata (L.), a Saharan and Mediterranean medicinal plant, in traditional pharmacopeia. GC-MS/MS identified volatile compounds of potential therapeutic interest. Antioxidant tests were performed using β-carotene decolorization, DPPH radical scavenging, FRAP, beta-carotene bleaching, and TAC. The antimicrobial activity was evaluated on solid and liquid media for bacterial and fungal strains to determine the zone of inhibition and the minimum growth concentration (MIC) of the microbes tested...
March 25, 2024: ChemistryOpen
https://read.qxmd.com/read/38511871/a-simple-cost-effective-method-to-fabricate-single-nanochannels-by-embedding-electrospun-polyethylene-oxide-nanofibers
#2
JOURNAL ARTICLE
Lei Zhou, Zhuonan Chen, Jian Ma
Solid state nanochannels provide significant practical advantages in many fields due to their interesting properties, such as controllable shape and size, robustness, ion selectivity. But their complex preparation processes severely limit their application. In this study, a simple cost-effective method to fabricate single nanochannel by embedding a single polyethylene oxide (PEO) nanofiber is presented. Firstly, PEO nanofibers are prepared by electrospinning, and then a single PEO nanofiber are precisely transferred to the target sample using a micromanipulation platform...
March 21, 2024: ChemistryOpen
https://read.qxmd.com/read/38506589/synthesis-antidiabetic-and-antitubercular-evaluation-of-quinoline-pyrazolopyrimidine-hybrids-and-quinoline-4-arylamines
#3
JOURNAL ARTICLE
Nosipho Cele, Paul Awolade, Pule Seboletswe, Lungisani Khubone, Kolawole Olofinsan, Md Shahidul Islam, Audrey Jordaan, Digby F Warner, Parvesh Singh
Two libraries of quinoline-based hybrids 1-(7-chloroquinolin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine and 7-chloro-N-phenylquinolin-4-amine were synthesized and evaluated for their α-glucosidase inhibitory and antioxidant properties. Compounds with 4-methylpiperidine and para-trifluoromethoxy groups, respectively, showed the most promising α-glucosidase inhibition activity with IC50 =46.70 and 40.84 μM, compared to the reference inhibitor, acarbose (IC50 =51.73 μM). Structure-activity relationship analysis suggested that the cyclic secondary amine pendants and para-phenyl substituents account for the variable enzyme inhibition...
March 20, 2024: ChemistryOpen
https://read.qxmd.com/read/38471964/synthesis-of-mono-di-tri-and-tetra-cationic-pyridinium-and-vinylpyridinium-modified-2-2-paracyclophanes-modular-receptors-for-supramolecular-systems
#4
JOURNAL ARTICLE
Yichuan Wang, Yuting Li, Olaf Fuhr, Martin Nieger, Zahid Hassan, Stefan Bräse
In this report, a new series of mono-, di-, tri-, and tetra-cationic pyridinium and vinyl pyridinium-modified [2.2]paracyclophanes as useful molecular tectons for supramolecular systems are described. Regioselective functionalization at specific positions, followed by resolution step and successive transformations through Pd-catalyzed Suzuki-Miyaura and Mizoroki-Heck cross-coupling chemistry furnish a series of modular PCP scaffolds. In our proof-of-concept study, on N-methylation, the PCPs bearing (cationic) pyridyl functionalities were demonstrated as useful molecular receptors in host-guest supramolecular assays...
March 12, 2024: ChemistryOpen
https://read.qxmd.com/read/38471961/cross-linked-triblock-peptide-capsules-as-potential-oxygen-carriers
#5
JOURNAL ARTICLE
Huayang Feng, Jürgen Linders, Miriam Cantore, Jonas Fabrizi, Annika Kirsten, Sascha Myszkowska, Eva Hillen, Florian Uteschil, Sebastian Buchholz, Andrea Hermsen, Maria Davila Garvin, Katja Bettina Ferenz, Christian Mayer
Perfluorodecalin (PFD)-filled capsules have been studied for over 15 years as artificial oxygen carriers. However, none of these capsules combines good biocompatibility, good mechanical stability and dispersion stability. Here we propose to use synthetic triblock peptides containing a central block of cysteine units as a cross-linking shell material for capsules with both good biocompatibility and stability. Together with outer aspartate units and inner phenylalanine units, the resulting amphiphilic triblock peptides can encapsulate PFD efficiently to prepare capsules with a suitable diameter, a certain mechanical strength, a large diffusion constant, fast gas exchange rates, and little cytotoxicity...
March 12, 2024: ChemistryOpen
https://read.qxmd.com/read/38466160/development-and-characterization-of-plant-derived-aristatoside-c-and-davisianoside-b-saponin-loaded-phytosomes-with-suppressed-hemolytic-activity
#6
JOURNAL ARTICLE
Sebnem Ercelen, Bunyamin Bulkurcuoglu, Mustafa Oksuz, Ayse Nalbantsoy, Nazli Boke Sarikahya
Saponins are glycosides widely distributed in the plant kingdom and have many pharmacological activities. However, their tendency to bind to cell membranes can cause cell rupture, limiting their clinical use. In the previous study, aristatoside C and davisianoside B were isolated from Cephalaria species. Cytotoxicity assays showed that they are more active on A-549 cell lines than doxorubicin but caused hemolysis. In the current research, aristatoside C and davisianoside B were loaded to phytosomes called ALPs and DLPs respectively, and characterized for particle size, zeta potential, encapsulation efficiency, release kinetic, hemolytic activity, and cytotoxicity on A-549 cell line...
March 11, 2024: ChemistryOpen
https://read.qxmd.com/read/38456364/a-computational-study-of-photoinduced-borylation-for-selected-boron-sources
#7
JOURNAL ARTICLE
Ka Wa Fan, Hoi Ling Luk, David Lee Phillips
This research article uses density functional theory (DFT) to study photoinduced borylation. This work examined the electron donor-acceptor complex (EDA) of bis(catecholato)diboron with different redox-active leaving groups and bis(pinacol)diboron with aryl N-hydroxyphthalimide. The results of these DFT studies show the complex ratio of B2 cat2 and N, N-dimethylacetamide (DMA) should be 1 : 2 which is consistent with the experimental results in the literature. We further proposed a reaction mechanism and calculated the energies associated with each step...
March 8, 2024: ChemistryOpen
https://read.qxmd.com/read/38441499/wearable-electrochemical-sensor-for-sweat-based-potassium-ion-and-glucose-detection-in-exercise-health-monitoring
#8
JOURNAL ARTICLE
Lei Ma, Wenhao Hou, Zhi Ji, Ziheng Sun, Muxi Li, Bolin Lian
The increasing prevalence of wearable devices has sparked a growing interest in real-time health monitoring and physiological parameter tracking. This study focuses on the development of a cost-effective sweat analysis device, utilizing microfluidic technology and selective electrochemical electrodes for non-invasive monitoring of glucose and potassium ions. The device, through real-time monitoring of glucose and potassium ion levels in sweat during physical activity, issues a warning signal when reaching experimentally set thresholds (K+ concentration at 7...
March 5, 2024: ChemistryOpen
https://read.qxmd.com/read/38441494/adjusting-uv-vis-spectrum-of-alizarin-by-insertion-of-auxochromes
#9
JOURNAL ARTICLE
Zahra Noori, Ibério de P R Moreira, Josep Maria Bofill, Jordi Poater
First synthesized in 1868, alizarin became one of the first synthetic dyes and was widely used as a red dye in the textile industry, making it more affordable and readily available than the traditional red dyes derived from natural sources. Despite extensive both experimental and computational analyses on the electronic effects of substituents on the shape of the visible spectrum of alizarin and alizarin Red S, no previous systematic work has been undertaken with the aim to fine tune the dominant absorption region defining its color by introducing other electron-withdrawing or electron-donor groups...
March 5, 2024: ChemistryOpen
https://read.qxmd.com/read/38441492/triplet-singlet-emission-of-d-block-metal-complexes-characterized-by-spin-orbit-natural-transition-orbitals
#10
JOURNAL ARTICLE
A Zaichenko, J Autschbach
Spin-orbit natural transition orbital (SO-NTO) methodology, recently developed in our group for complete and restricted active space (CAS/RAS) wavefunction calculations, is applied to analyze triplet-to-singlet emission in transition metal complexes. The lowest-energy (longest-wavelength) spin-forbidden transition <mml:math xmlns:mml="https://www.w3.org/1998/Math/MathML"> <mml:semantics> <mml:mrow><mml:msub><mml:mi>T</mml:mi> <mml:mn>1</mml:mn></mml:msub> <mml:mo>→</mml:mo> <mml:msub><mml:mi>S</mml:mi> <mml:mn>0</mml:mn></mml:msub> </mml:mrow> <mml:annotation>${{{\rm T}}_{1}\to {{\rm S}}_{0}}$</mml:annotation> </mml:semantics> </mml:math> is studied for for [Ir(pbt)2(acac)] and [Re(CO)4(pbt)] and the complexes [W(CO)4(bpy)] and [Mo(CO)4(bpy)]...
March 5, 2024: ChemistryOpen
https://read.qxmd.com/read/38441491/first-principles-studies-on-transition-metal-doped-mo2b2-as-anode-material-for-li-ion-batteries
#11
JOURNAL ARTICLE
Jianjian Shi, Chaojie Yu, Wei Kang, Xiuchan Xiao, Xiaoli Sun
New two-dimensional (2D) transition-metal borides have attracted considerable interest in research on electrode materials for Li-ion batteries (LIBs) owing to their promising properties. In this study, 2D molybdenum boride (Mo2 B2 ) with and without transition metal (TM, TM=Mn, Fe, Co, Ni, Ru, and Pt) atom doping was investigated. Our results indicated that all TM-doped Mo2 B2 samples exhibited excellent electronic conductivity, similar to the intrinsic 2D Mo2 B2 metal behavior, which is highly beneficial for application in LIBs...
March 5, 2024: ChemistryOpen
https://read.qxmd.com/read/38426697/effect-of-co-surfactants-on-properties-and-bactericidal-activity-of-cu-2-o-and-hybrid-cu-2-o-ag-particles
#12
JOURNAL ARTICLE
Dam Xuan Thang, Nguyen Thuy Chinh, Nguyen Thi Binh Minh, Trinh Hoang Nghia, Thai Hoang
Nanomaterials based on metal oxides, especially Cu2 O, have received much attention in recent years due to the many unique properties of the surface plasmon resonance they provide. The report presented the co-precipitation method, a simple preparation method to produce Cu2 O oxide particles. In addition, to improve the unique antibacterial properties of Cu2 O, a proposed method is to attach Ag nanoparticles to the surface of Cu2 O particles. The Cu2 O and Cu2 O-Ag particles were synthesized based on redox reactions using ascorbic acid (LAA) as a reducing agent...
March 1, 2024: ChemistryOpen
https://read.qxmd.com/read/38426688/electrochemical-intercalation-of-anions-into-graphite-fundamental-aspects-material-synthesis-and-application-to-the-cathode-of-dual-ion-batteries
#13
REVIEW
Yoshiaki Matsuo, Akane Inoo, Junichi Inamoto
In this review, fundamental aspects of the electrochemical intercalation of anions into graphite have been first summarized, and then described the electrochemical preparation of covalent-type GICs and application of graphite as the cathode of dual-ion battery. Electrochemical overoxidation of anion GICs provides graphite oxide and covalent-fluorine GICs, which are key functional materials for various applications including energy storage devices. The reaction conditions to obtain fully oxidized graphite has been mentioned...
March 1, 2024: ChemistryOpen
https://read.qxmd.com/read/38426687/computational-design-of-phosphotriesterase-improves-v-agent-degradation-efficiency
#14
JOURNAL ARTICLE
Jacob Kronenberg, Stanley Chu, Andrew Olsen, Dustin Britton, Leif Halvorsen, Shengbo Guo, Ashwitha Lakshmi, Jason Chen, Maria Jinu Kulapurathazhe, Cetara A Baker, Benjamin C Wadsworth, Cynthia J Van Acker, John G Lehman, Tamara C Otto, P Douglas Renfrew, Richard Bonneau, Jin Kim Montclare
Organophosphates (OPs) are a class of neurotoxic acetylcholinesterase inhibitors including widely used pesticides as well as nerve agents such as VX and VR. Current treatment of these toxins relies on reactivating acetylcholinesterase, which remains ineffective. Enzymatic scavengers are of interest for their ability to degrade OPs systemically before they reach their target. Here we describe a library of computationally designed variants of phosphotriesterase (PTE), an enzyme that is known to break down OPs...
March 1, 2024: ChemistryOpen
https://read.qxmd.com/read/38385822/studying-the-adsorption-of-emerging-organic-contaminants-in-zeolites-with-dispersion-corrected-density-functional-theory-calculations-from-numbers-to-recommendations
#15
JOURNAL ARTICLE
Michael Fischer, Jakob Brauer
Adsorption energies obtained from dispersion-corrected density functional theory (DFT) calculations show a considerable dependence on the choice of exchange-correlation functional and dispersion correction. A number of investigations have employed different approaches to compute adsorption energies of small molecules in zeolites, using reference values from high-level calculations and/or experiments. Such comparative studies are lacking for larger functional organic molecules such as pharmaceuticals or personal care products, despite their potential relevance for applications, e...
February 22, 2024: ChemistryOpen
https://read.qxmd.com/read/38377228/ultraviolet-light-assisted-decontamination-of-chemical-warfare-agent-simulant-2-chloroethyl-phenyl-sulfide-on-metal-loaded-tio-2-ti-surfaces
#16
JOURNAL ARTICLE
Hye Ji Jang, Gaeun Yun, Huieun Shim, Seon Young Hwang, So Young Kim, Jeongkwon Kim, Heesoo Jung, Mohammad Mansoob Khan, Youngku Sohn
The application of ultraviolet (UV) light for the decontamination of chemical warfare agents (CWAs) has gained recognition as an effective method, especially for treating hard-to-reach areas where wet chemical methods are impractical. In this study, TiO2 /Ti was employed as a model catalyst, which was contaminated with 2-chloroethyl phenyl sulfide (CEPS), and subjected to photocatalytic decontamination using both UVB and UVC light. Additionally, photocatalytic decontamination efficiency by introducing Au, Pt, and Cu onto the TiO2 /Ti surface was explored...
February 20, 2024: ChemistryOpen
https://read.qxmd.com/read/38350719/electrocatalytic-oxidation-of-pyrrole-on-a-quasi-reversible-silver-nanodumbbell-particle-surface-for-supramolecular-porphyrin-production
#17
JOURNAL ARTICLE
Olayemi Jola Fakayode, Reagan L Mohlala, Rudzani Ratshiedana, Bambesiwe M May, Eno E Ebenso, Usisipho Feleni, Thabo T I Nkambule
Photoactive supramolecular porphyrin assemblies are attractive molecules for light-harvesting applications. This is due to their relatively non-toxicity, biological activities and charge and energy exchange characteristics. However, the extreme cost associated with their synthesis and requirements for toxic organic solvents during purification pose a challenge to the sustainability characteristics of their applications. This work presents the first report on the sustainable synthesis, spectroscopic and photophysical characterizations of a near-infrared (NIR) absorbing Ca(II)-meso-tetrakis (4-hydroxyphenyl)porphyrin using an electrolyzed pyrrole solution...
February 13, 2024: ChemistryOpen
https://read.qxmd.com/read/38333968/electrochemical-detection-of-mirna-using-commercial-and-hand-made-screen-printed-electrodes-liquid-biopsy-for-cancer-management-as-case-of-study
#18
JOURNAL ARTICLE
Ada Raucci, Wanda Cimmino, Sabrina Romanò, Sima Singh, Nicola Normanno, Federico Polo, Stefano Cinti
The growth of liquid biopsy, i. e., the possibility of obtaining health information by analysing circulating species (nucleic acids, cells, proteins, and vesicles) in peripheric biofluids, is pushing the field of sensors and biosensors beyond the limit to provide decentralised solutions for nonspecialists. In particular, among all the circulating species that can be adopted in managing cancer evolution, both for diagnostic and prognostic applications, microRNAs have been highly studied and detected. The development of electrochemical devices is particularly relevant for liquid biopsy purposes, and the screen-printed electrodes (SPEs) represent one of the building blocks for producing novel portable devices...
February 9, 2024: ChemistryOpen
https://read.qxmd.com/read/38333963/dynamic-control-of-circumrotation-of-a-2-catenane-by-acid-base-switching
#19
JOURNAL ARTICLE
Kelun Shi, Guohui Jia, Ying Wu, Shilong Zhang, Jiawen Chen
Dynamic control of the motion in a catenane remains a big challenge as it requires precise design and sophisticated well-organized structures. This paper reports the design and synthesis of a donor-acceptor [2]catenane through mechanical interlocking, employing a crown ether featuring two dibenzylammonium salts on its side arms as the host and a cyclobis(paraquat-p-phenylene) (CBPQT ⋅ 4PF6 ) ring as the guest molecule. By addition of external acid or base, the catenane can form self-complexed or decomplexed compounds to alter the cavity size of the crown ether ring, consequently affecting circumrotation rate of CBPQT ⋅ 4PF6 ring of the catenane...
February 9, 2024: ChemistryOpen
https://read.qxmd.com/read/38315083/synthesis-of-compounds-based-on-the-active-domain-of-cabotegravir-and-their-application-in-inhibiting-tumor-cells-activity
#20
JOURNAL ARTICLE
Ruyue Yang, Wenhui Yue, Dong Hu, Guidan Wang, Longfei Mao, Jiahe Huang, Huili Wang, Gaofeng Liang
Structural modification based on existing drugs, which ensures the safety of marketed drugs, is an essential approach in developing new drugs. In this study, we modified the structure of cabotegravir by introducing the front alkyne on the core structure through chemical reaction, resulting in the synthesis of 9 compounds resembling 1,2,3-triazoles. The potential of these new cabotegravir derivatives as tumor suppressors in gastrointestinal tumors was investigated. Based on the MTT experiment, most compounds showed a reduction in the viability of KYSE30 and HCT116 cells...
February 5, 2024: ChemistryOpen
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