keyword
https://read.qxmd.com/read/38410269/kinetic-study-of-thermal-degradation-of-flaxseed-oil-and-moringa-oil-blends-with-physico-chemical-oxidative-stability-index-osi-and-shelf-life-prediction
#21
JOURNAL ARTICLE
Yashi Srivastava, Barinderjit Singh, Brahmeet Kaur, Mohammed Ubaid, Anil Dutt Semwal
The thermal degradation kinetics of flaxseed oil (FSO) and moringa oil (MO) blends with soyabean oil (SOY; 80%), rice bran oil (RBO; 80%), cotton seed oil (CSO; 80%) and sunflower oil (SFO; 80%) with Rancimat equipment. There was no significant ( p  ≤ 0.05) difference observed in the specific gravity (SG), density (D), and refractive index (RI) values of the MO and FSO blends, while the rancidity parameters showed the opposite variations. The FTIR spectra showed absorption bands at 966 cm-1 , 1097 cm-1 , 1160 cm-1 , 1217 cm-1 , 1377 cm-1 , 1464 cm-1 , 1743 cm-1 , 2945 cm-1 , 2852 cm-1 and 3008 cm-1 ...
April 2024: Journal of Food Science and Technology
https://read.qxmd.com/read/38405485/synthesis-of-poly-gg-co-aam-co-maa-a-terpolymer-hydrogel-for-the-removal-of-methyl-violet-and-fuchsin-basic-dyes-from-aqueous-solution
#22
JOURNAL ARTICLE
Shahid Khan, Najeeb Ur Rahman, Sultan Alam, Muhammad Zahoor, Luqman Ali Shah, Muhammad Naveed Umar, Riaz Ullah
A novel adsorbent designated as terpolymer hydrogel (gellan gum- co -acrylamide- co -methacrylic acid) was prepared by free radical polymerization of gellan gum (GG), methacrylic acid (MAA), and acrylamide (AAm) using N , N -methylene bis-acrylamide (MBA) as cross-linker and ammonium per sulfate (APS) as the initiator of the reaction. The synthesized gel was characterized by scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), Brunauer-Emmett-Teller (BET), and thermogravimetric analysis (TGA) and was used for the adsorptive removal of methyl violet (MV) and Fuchsin Basic (FB) dyes from aqueous solution...
February 20, 2024: ACS Omega
https://read.qxmd.com/read/38405434/negative-enthalpy-alloys-and-local-chemical-ordering-a-concept-and-route-leading-to-synergy-of-strength-and-ductility
#23
JOURNAL ARTICLE
Zibing An, Tao Yang, Caijuan Shi, Shengcheng Mao, Lihua Wang, Ang Li, Wei Li, Xianmeng Xue, Ming Sun, Yifan Bai, Yapeng He, Fuzeng Ren, Zhouguang Lu, Ming Yan, Yang Ren, Chain-Tsuan Liu, Ze Zhang, Xiaodong Han
Solid solutions are ubiquitous in metals and alloys. Local chemical ordering (LCO) is a fundamental sub-nano/nanoscale process that occurs in many solid solutions and can be used as a microstructure to optimize strength and ductility. However, the formation of LCO has not been fully elucidated, let alone how to provide efficient routes for designing LCO to achieve synergistic effects on both superb strength and ductility. Herein, we propose the formation and control of LCO in negative enthalpy alloys. With engineering negative enthalpy in solid solutions, genetic LCO components are formed in negative enthalpy refractory high-entropy alloys (RHEAs)...
April 2024: National Science Review
https://read.qxmd.com/read/38402948/metal-free-production-of-natural-blue-colorants-through-anthocyanin-protein-interactions
#24
JOURNAL ARTICLE
Wenxin Wang, Peiqing Yang, Fuqing Gao, Yongtao Wang, Zhenzhen Xu, Xiaojun Liao
INTRODUCTION: The scarcity of naturally available sources for blue colorants has driven reliance on synthetic alternatives. Nevertheless, growing health concerns have prompted the development of naturally derived blue colorants, which remains challenging with limited success thus far. Anthocyanins (ACNs) are known for providing blue colors in plants, and metal complexation with acylated ACNs remains the primary strategy to generate stable blue hues. However, this approach can be costly and raise concerns regarding potential metal consumption risks...
February 23, 2024: Journal of Advanced Research
https://read.qxmd.com/read/38402247/expermental-investigation-on-adsorption-of-methylene-blue-dye-from-waste-water-using-corncob-cellulose-based-hydrogel
#25
JOURNAL ARTICLE
Samuel Latebo Majamo, Temesgen Abeto Amibo, Dereje Tadesse Mekonnen
Hydrogel from corncob cellulose was synthesized in this investigation. The synthesized Hydrogel was characterized by SEM, XRD, and FTIR instruments. As the results indicate the synthesized hydrogel has required and important features, these suggest the suitability of hydrogel for the adsorption of methylene blue dye (MBD). Three important process variables (dosage, contact time, and initial concentration) with three levels were studied during the adsorption process at 30 °C and neutral pH. The efficiency of hydrogel for adsorption of MBD was determined in each experiment...
February 24, 2024: Scientific Reports
https://read.qxmd.com/read/38401585/increasing-the-polarity-of-%C3%AE-lapachone-does-not-affect-its-binding-capacity-with-bovine-plasma-protein
#26
JOURNAL ARTICLE
Otávio A Chaves, Rui J S Loureiro, Carlos Serpa, Pedro F Cruz, Aurélio B B Ferreira, José Carlos Netto-Ferreira
Despite ortho-quinones showing several biological and pharmacological activities, there is still a lack of biophysical characterization of their interaction with albumin - the main carrier of different endogenous and exogenous compounds in the bloodstream. Thus, the interactive profile between bovine serum albumin (BSA) with β-lapachone (1) and its corresponding synthetic 3-sulfonic acid (2, under physiological pH in the sulphonate form) was performed. There is one main binding site of albumin for both β-lapachones (n ≈ 1) and a static fluorescence quenching mechanism was proposed...
February 22, 2024: International Journal of Biological Macromolecules
https://read.qxmd.com/read/38394685/structural-basis-for-multivalent-muc16-recognition-and-robust-anti-pancreatic-cancer-activity-of-humanized-antibody-ar9-6
#27
JOURNAL ARTICLE
Eric N Aguilar, Satish Sagar, Brandy R Murray, Christabelle Rajesh, Eric K Lei, Sarah A Michaud, David R Goodlett, Thomas C Caffrey, Paul M Grandgenett, Benjamin Swanson, Teresa M Brooks, Adrian R Black, Henk van Faassen, Greg Hussack, Kevin A Henry, Michael A Hollingsworth, Cory L Brooks, Prakash Radhakrishnan
Mucin-16 (MUC16) is a target for antibody-mediated immunotherapy in pancreatic ductal adenocarcinoma (PDAC) amongst other malignancies. The MUC16 specific monoclonal antibody AR9.6 has shown promise for PDAC immunotherapy and imaging. Here, we report the structural and biological characterization of the humanized AR9.6 antibody (huAR9.6). The structure of huAR9.6 was determined in complex with a MUC16 SEA (Sea urchin sperm, Enterokinase, Agrin) domain. Binding of huAR9.6 to recombinant, shed, and cell-surface MUC16 was characterized, and anti-PDAC activity was evaluated in vitro and in vivo...
February 23, 2024: Molecular Cancer Therapeutics
https://read.qxmd.com/read/38394362/4-c-acetamidomethyl-2-o-methoxyethyl-nucleic-acid-modifications-improve-thermal-stability-nuclease-resistance-potency-and-hago2-binding-of-small-interfering-rnas
#28
JOURNAL ARTICLE
Sumit Gangopadhyay, Gourav Das, Shalini Gupta, Atanu Ghosh, Siddharam Shivappa Bagale, Pritam Kumar Roy, Mahitosh Mandal, S Harikrishna, Surajit Sinha, Kiran R Gore
In this study, we designed the 4'- C -acetamidomethyl-2'- O -methoxyethyl (4'- C -ACM-2'- O -MOE) uridine and thymidine modifications, aiming to test them into small interfering RNAs. Thermal melting studies revealed that incorporating a single 4'- C -ACM-2'- O -MOE modification in the DNA duplex reduced thermal stability. In contrast, an increase in thermal stability was observed when the modification was introduced in DNA:RNA hybrid and in siRNAs. Thermal destabilization in DNA duplex was attributed to unfavorable entropy, which was mainly compensated by the enthalpy factor to some extent...
February 23, 2024: Journal of Organic Chemistry
https://read.qxmd.com/read/38387396/3-amide-%C3%AE-carbolines-block-the-cell-cycle-by-targeting-cdk2-and-dna-in-tumor-cells-potentially-as-anti-mitotic-agents
#29
JOURNAL ARTICLE
Dongming Zhi, Zhiyuan An, Lishan Li, Chaojia Zheng, Xiaorong Yuan, Yu Lan, Jinghan Zhang, Yujie Xu, Huiya Ma, Na Li, Junru Wang
β-Carboline alkaloids are natural and synthetic products with outstanding antitumor activity. C3 substituted and dimerized β-carbolines exert excellent antitumor activity. In the present research, 37 β-carboline derivatives were synthesized and characterized. Their cytotoxicity, cell cycle, apoptosis, and CDK2- and DNA-binding affinity were evaluated. β-Carboline monomer M3 and dimer D4 showed selective activity and higher cytotoxicity in tumor cells than in normal cells. Structure-activity relationships (SAR) indicated that the amide group at C3 enhanced the antitumor activity...
February 16, 2024: Bioorganic Chemistry
https://read.qxmd.com/read/38375313/synthesis-and-characterization-of-copper-nanoparticle-based-hydrogel-and-its-applications-in-catalytic-reduction-and-adsorption-of-basic-blue-3
#30
JOURNAL ARTICLE
Sultan Alam, Imran Badshah, Shahid Khan, Luqman Ali Shah, Muhammad Zahoor, Muhammad Naveed Umar, Riaz Ullah, Essam A Ali
Most of the dyes used in various industries are non-biodegradable and carcinogenic in nature. Therefore, elimination of dyes from textile wastes is mandatory to safeguard the life of human, aquatic animals and aquatic plants. In this connection an effective and eco-friendly hydrogel was synthesized from acrylamide, cellulose, clay, and copper salt abbreviated as AMPS(PHE-Ce)/MC-Cu. The fabricated hydrogel was used as sorbent and catalyst for the adsorption and catalytic reduction of basic blue 3. SEM analysis showed granular texture with small holes or cracks which is basic criteria for an adsorbent surface...
February 29, 2024: Heliyon
https://read.qxmd.com/read/38371761/theoretical-investigation-of-thermodynamic-properties-of-the-al-si-fe-ternary-alloy
#31
JOURNAL ARTICLE
Wenyuan Hou, Jiaoru Wang, Hesong Li
Aiming at the current lack of thermodynamic parameters related to the preparation of aluminum-silicon-iron alloys from spent refractory materials in aluminum electrolytic cells, the Miedema model was used to calculate the thermodynamic parameters of Al-Si, Al-Fe, and Si-Fe binary alloys. On this basis, the Toop model was combined to calculate the mixing enthalpy Δ H , excess entropy S E , excess Gibbs free energy G E , and component activity α of Al-Si-Fe ternary alloys. The results show that Δ H , S E , and G E of binary alloys are all negative values...
February 13, 2024: ACS Omega
https://read.qxmd.com/read/38362074/study-on-the-association-and-phase-separation-behavior-of-surfactants-and-promethazine-hydrochloride-impact-of-ammonium-electrolytes
#32
JOURNAL ARTICLE
Afzal Hossain Shah, S M Rafiul Islam, Munirah D Albaqami, Tajmul Hasan, Dileep Kumar, Saikh Mohammad Wabaidur, Mohd Zahid Ansari, Md Anamul Hoque, D M Shafiqul Islam, Mahbub Kabir
In the current study, the association and phase separation of cationic tetradecyltrimethylammonium bromide (TTAB) and nonionic Triton X-100 (TX-100) surfactants with promethazine hydrochloride (PMH) were investigated in aqueous ammonium-based solutions. The micellization nature of the TTAB and PMH drug mixture was examined by evaluating critical micelle concentration (CMC) and counterion binding extent ( β ) at different salt contents and temperatures (298.15-323.15 K). Micelle formation in the TTAB + PMH mixture was enhanced in the presence of ammonium salts, whereas the process was delayed with an increase in temperature in the respective salt solution...
February 14, 2024: RSC Advances
https://read.qxmd.com/read/38355053/rhamnose-peg-induced-supramolecular-helices-addressing-challenges-of-drug-solubility-and-release-efficiency-in-transdermal-patch
#33
JOURNAL ARTICLE
Haoyuan Song, Chao Liu, Jiuheng Ruan, Yu Cai, Jiaqi Wang, Xiaoxu Wang, Liang Fang
Transdermal drug delivery systems (TDDS) demand both high drug loading capacity and efficient delivery. In order to improve both simultaneously, this study aims to develop a novel rhamnose-induced pressure-sensitive adhesive (HPR) by dispersing the drug in the supramolecular helical structure. Ten model drugs, categorized as acidic and basic compounds, were chosen to understand the characteristics of the HPR and its inner mechanism. Notably, it enhanced drug loading by 1.41 to 5 times over commercially available pressure-sensitive adhesives Duro-Tak@ 87-4098 and Duro-Tak@ 87-2287, in addition to increasing drug release efficiency by a factor of about 5...
February 12, 2024: Journal of Controlled Release
https://read.qxmd.com/read/38354223/machine-learning-for-polaritonic-chemistry-accessing-chemical-kinetics
#34
JOURNAL ARTICLE
Christian Schäfer, Jakub Fojt, Eric Lindgren, Paul Erhart
Altering chemical reactivity and material structure in confined optical environments is on the rise, and yet, a conclusive understanding of the microscopic mechanisms remains elusive. This originates mostly from the fact that accurately predicting vibrational and reactive dynamics for soluted ensembles of realistic molecules is no small endeavor, and adding (collective) strong light-matter interaction does not simplify matters. Here, we establish a framework based on a combination of machine learning (ML) models, trained using density-functional theory calculations and molecular dynamics to accelerate such simulations...
February 14, 2024: Journal of the American Chemical Society
https://read.qxmd.com/read/38353541/quantum-cluster-equilibrium-theory-applied-to-liquid-ammonia
#35
JOURNAL ARTICLE
Josué Maya, Alhadji Malloum, Jean Jules Fifen, Zoubeida Dhaouadi, Henri Paul Ekobena Fouda, Jeanet Conradie
Through this paper, the authors propose using the quantum cluster equilibrium (QCE) theory to reinvestigate ammonia clusters in the liquid phase. The ammonia clusters from size monomer to hexadecamer were considered to simulate the liquid ammonia in this approach. The clusterset used to model the liquid ammonia is an ensemble of different structures of ammonia clusters. After studious research of the representative configurations of ammonia clusters through the cluster research program ABCluster, the configurations have been optimized at the MN15/6-31++G(d,p) level of theory...
February 14, 2024: Journal of Computational Chemistry
https://read.qxmd.com/read/38353456/mixed-enthalpy-entropy-descriptor-for-the-rational-design-of-synthesizable-high-entropy-materials-over-vast-chemical-spaces
#36
JOURNAL ARTICLE
Dibyendu Dey, Liangbo Liang, Liping Yu
The practically unlimited high-dimensional composition space of high-entropy materials (HEMs) has emerged as an exciting platform for functional material design and discovery. However, the identification of stable and synthesizable HEMs and robust design rules remains a daunting challenge. Here, we propose a mixed enthalpy-entropy descriptor (MEED) that enables highly efficient, robust, high-throughput prediction of synthesizable HEMs across vast chemical spaces from first-principles. The MEED is based on two parameters: the relative formation enthalpy with respect to the most stable competing compound and the spread of the point-defect formation energy spectrum...
February 14, 2024: Journal of the American Chemical Society
https://read.qxmd.com/read/38350405/efficient-dissolution-of-cellulose-in-slow-cooling-alkaline-systems-and-interacting-modes-between-alkali-and-urea-at-the-molecular-level
#37
JOURNAL ARTICLE
Shuo Ai, Zhenhua Huang, Wanguo Yu, Chengdu Huang
The dissolution of microcrystalline cellulose (MCC) in a urea-NaOH system is beneficial for its mechanical processing. The apparent MCC solubility was greatly improved to 14 wt% under a slow-cooling condition with a cooling rate of -0.3 °C/min. The cooling curve or thermal history played a crucial role in the dissolution process. An exotherm (-54.7 ± 3 J/g MCC) was detected by DSC only under the slow-cooling condition, and the cryogenic dissolution of MCC was attributed to the exothermic interaction between MCC and solvent...
February 9, 2024: Carbohydrate Research
https://read.qxmd.com/read/38347016/thermodynamic-and-kinetic-analysis-of-the-response-surface-method-for-phenol-removal-from-aqueous-solution-using-graphene-oxide-polyacrylonitrile-nanofiber-mats
#38
JOURNAL ARTICLE
Basant Yousri Eweida, Asmaa M Abd El-Aziz, Azza El-Maghraby, Eman Serag
Phenolic compound even at low concentrations, are considered to be priority pollutants due to their significant toxicity. Electrospinning was used to create a polyacrylonitril (PAN) nanofiber, which was then impregnated with graphene oxide (GO). After a preliminary investigation into the electrospinning parameters (e.g., using various voltages and polymer concentrations), the electrospun nanofibres were tuned, this study evaluated the effectiveness of these materials in removing phenolic compounds from wastewater through adsorption...
February 12, 2024: Scientific Reports
https://read.qxmd.com/read/38345048/spectroscopic-insights-with-molecular-docking-and-molecular-dynamic-simulation-studies-of-anticancer-drug-5-fluororouracil-targeting-human-pyruvate-kinase-m2
#39
JOURNAL ARTICLE
Mamali Priyadarshinee, Budheswar Dehury, Sarbani Mishra, Chitranjali Jena, Manaswini Patra, Neeraj K Mishra, Luna Samanta, Bairagi C Mallick
This study was conducted to test the efficacy of 5-fluorouracil (5-FU) as an anticancer drug against the human pyruvate kinase isozyme M2 (PKM2) using spectroscopic, molecular docking and molecular dynamic simulation studies. PKM2 fluorescence quenching studies in the presence of 5-FU performed at three different temperatures indicates dynamic quenching processes with single-set of binding ( n  ≈ 1) profile. The biomolecular quenching constants ( k q ) and the effective binding constants ( K b ) obtained are shown to increase with temperature...
February 12, 2024: Journal of Biomolecular Structure & Dynamics
https://read.qxmd.com/read/38344804/one-stone-two-birds-using-high-electric-fields-to-enhance-the-mobility-and-the-concentration-of-point-defects-in-ion-conducting-solids
#40
JOURNAL ARTICLE
Dennis Kemp, Roger A De Souza
Improving the ionic conductivity of outstanding, composition-optimized crystalline electrolytes is a major challenge. Achieving increases of orders of magnitude requires, conceivably, highly nonlinear effects. One known possibility is the use of high electric fields to increase point-defect mobility. In this study, we investigate quantitatively a second possibility that high electric fields can increase substantially point-defect concentrations. As a model system, we take a pyrochlore oxide (La2 Zr2 O7 ) for its combination of structural vacancies and dominant anti-Frenkel disorder; we perform molecular-dynamics simulations with many-body potentials as a function of temperature and applied electric field...
February 12, 2024: Journal of the American Chemical Society
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