keyword
https://read.qxmd.com/read/37953346/a-depth-iterative-illumination-estimation-network-for-low-light-image-enhancement-based-on-retinex-theory
#21
JOURNAL ARTICLE
Yongqiang Chen, Chenglin Wen, Weifeng Liu, Wei He
Existing low-light image enhancement techniques face challenges in achieving high visual quality and computational efficiency, as well as in effectively removing noise and adjusting illumination in extremely dark scenes. To address these problems, in this paper, we propose an illumination enhancement network based on Retinex theory for fast and accurate brightening of images in low-illumination scenes. Two learning-based networks are carefully constructed: decomposition network and enhancement network. The decomposition network is responsible for decomposing the low-light input image into the initial reflectance and illumination map...
November 12, 2023: Scientific Reports
https://read.qxmd.com/read/37916120/surface-enhanced-raman-scattering-investigation-of-tecovirimat-on-silver-gold-and-platinum-loaded-silica-nanocomposites-theoretical-analysis-dft-and-molecular-modeling
#22
JOURNAL ARTICLE
Nivetha G F, Vetrivelan V, Govindammal M, Muthu S, Prasath M
As of today, there have been 612 million confirmed cases of coronavirus disease (COVID-19) around the world, with over 6 million fatalities. Tecovirimat (TPOXX) is an anti-viral drug, and it was the first drug approved for the treatment of anti-pox virus in the US. However, the effectiveness of this drug against COVID-19 has not yet been explored. Since TPOXX is an anti-viral drug, an attempt has been made to determine its ability to act as a COVID inhibitor. Recent medical advances have resulted in the development of nano cage-based drug delivery...
October 2023: Heliyon
https://read.qxmd.com/read/37809934/structural-electronic-intermolecular-interaction-reactivity-vibrational-spectroscopy-charge-transfer-hirshfeld-surface-analysis-pharmacological-and-hydropathy-plot-on-5-bromo-nicotinic-acid-antiviral-study-hepatitis-a-b-and-c
#23
JOURNAL ARTICLE
Sravanthi R, S Mahalakshmi, S Kumaran, Shine Kadaikunnan, Ghulam Abbas, S Muthu
The therapeutic properties of 5-Bromonicotinatic acid (5BNA) were studied for antiviral illnesses like Hepatitis A, Hepatitis B and Hepatitis C and the influence of electron-donating and electron-withdrawing properties of functional groups on the nicotinic acid was evaluated and represented in this study using the DFT approach. The molecular parameters were determined for both gases as well as for various solvent phases. The reactive areas in the compound are examined utilising Fukui analysis. The molecular interactions are accomplished by recognising the different types of bonding found in the compound using the AIM, ELF, LOL, RDG and IRI...
September 2023: Heliyon
https://read.qxmd.com/read/37803734/superficial-scald-development-in-granny-smith-and-nicoter-apples-the-role-of-key-volatile-compounds-when-fruit-are-stored-under-dynamic-controlled-atmosphere
#24
JOURNAL ARTICLE
Jossiê Zamperetti Donadel, Fabio Rodrigo Thewes, Luana Ferreira Dos Santos, Erani Eliseu Schultz, Magno Roberto Pasquetti Berghetti, Vagner Ludwig, Juliana Mesadri, Bruna Klein, Flavio Roberto Thewes, Suele Fernanda Prediger Schmidt, Vanderlei Both, Auri Brackmann, Daniel Alexandre Neuwald, Roger Wagner
A positive correlation of α-farnesene and its oxidation metabolites with superficial scald is commonly reported in apples stored in air or controlled atmosphere (CA) systems, where O2 levels are above the lower oxygen limit (LOL) tolerated by the fruit. Nevertheless, the LOL can be monitored by the dynamic controlled atmosphere (DCA) techniques and to provide different physiological responses. Therefore, this study aimed to evaluate key volatile metabolites from 'Granny Smith' and 'Nicoter' ('Kanzi®') apples stored under dynamic controlled atmosphere (DCA) monitored by respiratory quotient (RQ), i...
November 2023: Food Research International
https://read.qxmd.com/read/37700296/dft-studies-of-solvent-effect-in-hydrogen-abstraction-reactions-from-different-allyl-type-monomers-with-benzoyl-radical
#25
JOURNAL ARTICLE
Xiaotian Zhao, YaMing Li, Shibo Lin, Chun Liu, Xirui Guo, Xuanhao Li, Lihui He, Xi Chen, Guodong Ye
Inert allyl-type monomers have been widely documented due to reduce degradation chain transfer. Recently, we and others discovered that the [3 + 2] cyclization reaction process by a photo-driven radical reaction, which can accelerate the polymerization. It was discovered that allyl ether monomers had much higher reactivity than other allyl monomers in the suspension photopolymerization initiated by Type I photoinitiator. Since the hydrogen abstraction reaction (HAR) is the initial step of cyclization, and in order to clarify the influence of solvents effect, three allyl-type monomers were employed, containing "O", "N" and "S" atom as hydrogen donors...
September 12, 2023: BMC chemistry
https://read.qxmd.com/read/37687043/efficient-approach-for-the-synthesis-of-aryl-vinyl-ketones-and-its-synthetic-application-to-mimosifoliol-with-dft-and-autodocking-studies
#26
JOURNAL ARTICLE
Tummuri Sudheer Reddy, Karreddula Raja, Kishore Reddy Mandapati, Srinivasa Reddy Goli, Manubolu Surya Surendra Babu
An efficient and elegant method was developed for the preparation of substituted phenyl vinyl ketones using low-cost and commercially available ethyl chloroformate and diisopropylethylamine as reagents. This methodology was also applied to the synthesis of natural products such as mimosifoliol and quinolines. Frontier molecular orbital (FMO) studies on mimosifoliol were carried out to understand its chemical reactivity. Electron localization function (ELF) and localized orbital locator (LOL) analysis gave information about localized and delocalized electrons...
August 24, 2023: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://read.qxmd.com/read/37632241/sensitization-patterns-to-poaceae-pollen-indicates-a-hierarchy-in-allergens-and-a-lead-of-tropical-grasses
#27
JOURNAL ARTICLE
Victoria Rodinkova, Serhii Yuriev, Vitalii Mokin, Olena Sharikadze, Yevhenii Kryzhanovskyi, Lilia Kremenska, Olha Kaminska, Andrii Kurchenko
BACKGROUND: The allergenicity of pollen of Poaceae family members is a well-known and confirmed fact. Using the data of component-resolved molecular diagnostics of allergy, we set a goal to establish the population and individual characteristics of sensitization to grass pollen and assess the patterns of its development. METHODS: Multiplex allergy Alex2 test results of 20,033 patients were used. In addition to descriptive statistics to uncover traits of the sensitized population, statistical inference was utilized to establish the conditional probability of sensitisation, the nature of links between allergens, and the most frequent combinations of allergens in individual patient profiles...
August 2023: Clinical and Translational Allergy
https://read.qxmd.com/read/37577342/successful-management-of-a-rare-case-of-gallbladder-neuroendocrine-carcinoma-with-tumor-thrombi
#28
JOURNAL ARTICLE
Bishal Pal, Souradeep Dutta, Debasis Naik, Sundaramoorthy Sudharsanan, Rajesh Nachiappa Ganesh, Vishnu Prasad Nelamangala Ramakrishnaiah
A gallbladder neuroendocrine neoplasm (GB‑NEN) is a bizarre heterogeneous neoplasm arising from neuroendocrine cells, which are present in minimal amounts on the GB mucosa either due to conversion of undifferentiated stem cells, chronic inflammation and resulting in pathological metaplasia or switching of GB adenocarcinoma to neuroendocrine one. Among all the GB malignancies, GB-NEN accounts for approximately 2.1%. A 41-year-old lady presented with right upper abdomen pain and distension for 2 weeks...
October 2023: International cancer conference journal
https://read.qxmd.com/read/37555864/effect-of-solvents-on-intra-and-inter-molecular-interactions-of-oligothiophenes
#29
JOURNAL ARTICLE
Feride Akman
CONTEXT: Oligothiophenes have long been used as model compounds to understand the chemistry of polythiophenes. Herein, we have some quantum chemical calculations and intra- and inter-molecular interaction calculations of a series of oligothiophenes such as terthiophene, quintetthiophene, sevensthiophene, terthiophene-terthiophene, terthiophene-water, terthiophene-methanol, and terthiophene-chloroform performed by time-dependent density functional theory (TD-DFT), density functional theory (DFT), and Multiwfn: a multifunctional wavefunction analyzer...
August 9, 2023: Journal of Molecular Modeling
https://read.qxmd.com/read/37541015/pleomorphic-rhabdomyosarcoma-of-the-liver-in-an-adult-an-extremely-rare-case-report-and-review-of-literature
#30
Amr Elgazar, Ahmed K Awad, Amier M Rashed, Mohamed Kelany, Hatem Sayed Saber
INTRODUCTION AND IMPORTANCE: Primary hepatic sarcomas are one of the extremely rare malignant tumors representing less than 0.1 % of all primary malignant neoplasms. CASE PRESENTATION AND CLINICAL DISCUSSION: A known compensated cirrhotic HCV 60-year-old female lady MELD score 8 with a medical history of controlled diabetes and hypertension presented to our hepatobiliary clinic experiencing a chronic right hypochondrial pain that radiate to her right shoulder of 3 months duration...
July 28, 2023: International Journal of Surgery Case Reports
https://read.qxmd.com/read/37517274/investigation-of-photophysical-and-electronic-properties-of-aurone-derivatives-insights-from-spectroscopic-techniques-and-density-functional-theory-calculations
#31
JOURNAL ARTICLE
Ehsan Ullah Mughal, Ahlam Roufieda Guerroudj, Ebru Bozkurt, Nafeesa Naeem, Amina Sadiq, Jabir H Al-Fahemi, Rabab S Jassas, Essam M Hussein, Nourdine Boukabcha, Abdelkader Chouaih, Saleh A Ahmed
This paper reports on a study of the photophysical properties, density functional theory (DFT) calculations, infrared (IR), ultraviolet (UV) and nuclear magnetic resonance (NMR) spectroscopic techniques of a series of aurone compounds. The photophysical properties were investigated using UV absorption and fluorescence spectroscopy in a dimethyl sulfoxide (DMSO) solution. Furthermore, the fluorescence quantum yields of the target compounds (1-24) were also investigated. Remarkably, these compounds revealed high quantum yields (Φ = 0...
July 11, 2023: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://read.qxmd.com/read/37502397/lola-and-lolb-from-the-plant-pathogen-xanthomonas-campestris-forms-a-stable-heterodimeric-complex-in-the-absence-of-lipoprotein
#32
JOURNAL ARTICLE
Valentina Furlanetto, Christina Divne
The Gram-negative bacterium Xanthomonas campestris is one of the most problematic phytopathogens, and especially the pathovar campestris ( Xcc ) that causes a devastating plant disease known as black rot and it is of considerable interest to understand the molecular mechanisms that enable virulence and pathogenicity. Gram-negative bacteria depend on lipoproteins (LPs) that serve many important functions including control of cell shape and integrity, biogenesis of the outer membrane (OM) and establishment of transport pathways across the periplasm...
2023: Frontiers in Microbiology
https://read.qxmd.com/read/37476049/potential-anticancer-and-antioxidant-lauric-acid-based-hydrazone-synthesis-and-computational-study-toward-the-electronic-properties
#33
JOURNAL ARTICLE
Mohammed A Assiri, Akbar Ali, Muhammad Ibrahim, Muhammad Usman Khan, Khalid Ahmed, Muhammad Sajid Hamid Akash, Muhammad Akhtar Abbas, Athar Javed, Muhammad Suleman, Muhammad Khalid, Ishtiaq Hussain
The modification of natural products is one of the key areas of synthetic organic chemistry for obtaining valuable chemical building blocks that have medicinal significance. In this study, lauric acid-based hydrazones, namely ( E )- N '-(2-nitrobenzylidene)dodecanehydrazide (NBDH), ( E )- N '-(naphthalen-1-ylmethylene)dodecanehydrazide (NMDH), and ( E )- N '-(4-fluorobenzylidene)dodecanehydrazide (FBDH), were synthesized and characterized using spectroscopic techniques. The newly synthesized lauric acid-based hydrazones were screened for their anticancer and antioxidant potential...
July 12, 2023: RSC Advances
https://read.qxmd.com/read/37418198/photophysical-antioxidant-antibacterial-and-nbo-lol-elf-analysis-of-alkyl-groups-substituted-calix-4-resorcinarenes
#34
JOURNAL ARTICLE
Kasi Sathiyaseelan, Albert Antony Muthu Prabhu, Narayaswamy Rajendiran
In our work to investigate the photophysical, antioxidant, antibacterial, DFT and topological analysis of four C-alkyl calix[4]resorcinarenes (3a-3d - C4RAs). The photophysical properties of C4RAs in selected solvents were recorded using both UV-Visible and fluorescence spectral studies. The absorption and emission maximum of four C4RAs were observed around 280 nm and 318 nm in selected solvents. The solvatochromism with selected solvents were analysed from the plot between Stoke's shift and ET N . The antioxidant activity and antibacterial activity of four C4RAs were evaluated by phosphomolybdate assay and Kirby-Bauer method...
July 7, 2023: Journal of Fluorescence
https://read.qxmd.com/read/37299071/mycorrhizal-colonization-of-wheat-by-intact-extraradical-mycelium-of-mn-tolerant-native-plants-induces-different-biochemical-mechanisms-of-protection
#35
JOURNAL ARTICLE
Jorge M S Faria, Pedro Barrulas, Ana Paula Pinto, Isabel Brito, Dora Martins Teixeira
Soil with excess Mn induces toxicity and impairs crop growth. However, with the development in the soil of an intact extraradical mycelia (ERM) from arbuscular mycorrhizal fungi (AMF) symbiotic to native Mn-tolerant plants, wheat growth is promoted due to a stronger AMF colonization and subsequent increased protection against Mn toxicity. To determine the biochemical mechanisms of protection induced by this native ERM under Mn toxicity, wheat grown in soil from previously developed Lolium rigidum (LOL) or Ornithopus compressus (ORN), both strongly mycotrophic plants, was compared to wheat grown in soil from previously developed Silene gallica (SIL), a non-mycotrophic plant...
May 24, 2023: Plants (Basel, Switzerland)
https://read.qxmd.com/read/37286574/decomposing-solar-and-geomagnetic-activity-and-seasonal-dependencies-to-examine-the-relationship-between-gps-loss-of-lock-and-ionospheric-turbulence
#36
JOURNAL ARTICLE
Giulia Lovati, Paola De Michelis, Giuseppe Consolini, Michael Pezzopane, Alessio Pignalberi, Francesco Berrilli
Ionospheric irregularities are plasma density variations that occur at various altitudes and latitudes and whose size ranges from a few meters to a few hundred kilometers. They can have a negative impact on the Global Navigation Satellite Systems (GNSS), on their positioning accuracy and even cause a signal loss of lock (LoL), a phenomenon for which GNSS receivers can no longer track the satellites' signal. Nowadays, the study of plasma density irregularities is important because many of the crucial infrastructures of our society rely on the efficient operation of these positioning systems...
June 7, 2023: Scientific Reports
https://read.qxmd.com/read/37226291/electronic-structure-aromaticity-and-optical-properties-of-dehydro-10-annulene
#37
JOURNAL ARTICLE
Xinwen Gai, Lei Zhang, Jingang Wang
Dehydro[10]annulene has recently been prepared experimentally and is considered to be a highly rigid structure with planar properties. In this paper, the electronic structure and bonding properties of dehydro[10]annulene have been studied by means of molecular orbital (MO), density of states (DOS), bond order (BO) and interaction region indicator (IRI). The delocalization properties of out-of-plane and in-plane π-electrons (πout- and πin-electrons) of the bond region are studied by using localized orbital location (LOL)...
May 24, 2023: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
https://read.qxmd.com/read/37203948/promising-response-of-paclitaxel-in-metastatic-transitional-cell-carcinoma-of-distal-ureter-complicated-with-hydroureteronephrosis-a-case-report
#38
JOURNAL ARTICLE
Sajjad Ahmed Khan, Santosh Sah, Surya Bahadur Parajuli, Sulav Sapkota, Asmita Rayamajhi
UNLABELLED: Ureteric carcinoma is the rarest of all urothelial malignancies, and little attention has been given to it. Palliation in these groups of patients is a dilemma in the clinics. Use of chemotherapeutic agents in ureteric carcinoma is a double edged sword, as these patients had already impaired renal function due to post-renal failure and nephrotoxic nature of most of the chemotherapeutic agents can further deteriorate the renal function, making the management approach, a relatively visionary task...
March 1, 2023: JNMA; Journal of the Nepal Medical Association
https://read.qxmd.com/read/37195616/a-comprehensive-assessment-of-carbon-steel-corrosion-inhibition-by-1-10-phenanthroline-in-the-acidic-environment-insights-from-experimental-and-computational-studies
#39
JOURNAL ARTICLE
Mimoun Belhadi, Mohammed Oubahou, Imad Hammoudan, Anas Chraka, Mohammed Chafi, Said Tighadouini
1,10-Phenanthroline (PHN) is a nitrogen-containing heterocyclic organic compound that is widely used in a variety of applications, including chemosensors, biological studies, and pharmaceuticals, which promotes its use as an organic inhibitor to reduce corrosion of steel in acidic solution. In this regard, the inhibition ability of PHN was examined for carbon steel (C48) in a 1.0 M HCl environment by performing electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), mass loss, and thermometric/kinetic...
May 17, 2023: Environmental Science and Pollution Research International
https://read.qxmd.com/read/37183763/dft-potentials-from-a-chemical-perspective-anatomy-of-electron-de-localization-in-molecules-and-crystals
#40
JOURNAL ARTICLE
Elena O Levina, Vladimir G Tsirelson
We introduce a fermionic potential, <mml:math xmlns:mml="https://www.w3.org/1998/Math/MathML"> <mml:semantics> <mml:mrow><mml:msub><mml:mi>v</mml:mi> <mml:mi>f</mml:mi></mml:msub> </mml:mrow> <mml:annotation>$$ {v}_f $$</mml:annotation></mml:semantics> </mml:math> , as a comprehensive measure of electron (de)localization in atomic-molecular systems. Unlike other common descriptors as ELF, LOL, etc., it characterizes all physical effects responsible for (de)localization of electrons, namely: an exchange hole depth, its tendency to change, a sensitivity of an exchange correlation hidden in a pair density and kinetic potential to local variations in electron density...
May 15, 2023: Journal of Computational Chemistry
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