Keywords: انسان، هومو; Wine pigments; Anthocyanins; Quantum chemistry; Dispersive&RSH (TD)-DFT; Copigmentation; Molecular dynamics; AM1; Austin Model 1; ASC; Apparent Surface Charge; BSSE; Basis Set Superposition Error; CAM-B3LYP; Coulomb-Attenuated Method B3LYP; CC; Coupled Cl
مقالات ISI انسان، هومو (ترجمه نشده)
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Keywords: انسان، هومو; Electropolymerization; Oxidation; Voltammetry; HOMO; LUMO
Keywords: انسان، هومو; AgNC; Silver nanocluster; Apt; Aptamer; AuNC; Gold nanocluster; AuNP; Gold nanoparticle; BSA; Bovine serum albumin; CD; Circular dichroism spectroscopy; CdTe QD; CdTe quantum dot; CQD; Carbon quantum dot; DA; Dopamine; DDAB; Didodecyldimethylammonium brom
Keywords: انسان، هومو; Homo; Brain selective nutrients; Diet; Omega-3 fatty acids; Docosahexaenoic acid; Body fat; Ketones
Keywords: انسان، هومو; 1-D; One dimensional; 2-D; Two dimensional; 3-D; Three dimensional; CH3NH3PbI2Cl; Methylammonium lead iodide chloride; DSCs; Dye sensitised solar cells; D102; Indoline dye; DTBT; Di-2-thienyl-2, 1, 3-benzothiadiazole; EDT; 1â2-ethanedithiol; eâ; Elect
Keywords: انسان، هومو; AFM; atomic force microscopy; Ar; aromatic; Bipy; 2,2â²-bipyridil; CdSe; cadmium selenium; CdTe; cadmium tellurium; CNM; carbon nanomaterial; CNT; carbon nanorube; COD; 1,5-cyclooctadiene; CP; conjugated polymer; CTP; chain transfer polycondensation; CV;
Keywords: انسان، هومو; Organic semiconductors; Perylene bisimide; Al; Au; HOMO; Photoelectron spectroscopy;
Keywords: انسان، هومو; Polymethylene blue; Electropolymerization; HOMO; LUMO; Photocurrent;
Keywords: انسان، هومو; Alumina nanotube; HOMO; LUMO; DFT;
Keywords: انسان، هومو; Locomotion; Femoral shaft; Inner structure; Homo; PanLocomotion; Diaphyse fémorale; Structure interne; Homo; Pan
Keywords: انسان، هومو; Ub; ubiquitin; SCF; Skp-Cullin-F-box; HECT; homologous to E6 carboxyl terminus; RING; really Interesting New Gene; SUMO; small ubiquitin-like modifier; UPS; ubiquitin proteasome system; UFD; ubiquitin fusion degradation; ERAD; endoplasmic reticulum-associ
Keywords: انسان، هومو; I00; Physical stature; Body mass; Brain size; Evolution; Homo;
Keywords: انسان، هومو; VLA; visible-light-active; UV; ultraviolet; PE; polythene/polyethene; PS; polystyrene; EPS; expanded polystyrene; PET; polyethylene terephthalate; PP; polypropylene; PPF; polypropylene fabric; PVC; polyvinyl chloride; PVA; polyvinyl alcohol; PANI; polyani
Keywords: انسان، هومو; 2D; two-dimensional; ARPES; angle-resolved photoemission spectroscopy; An-CH3; 9,10-dimethylanthracene; An-Br; 9,10-dibromoanthracene; AIE; aggregation induced emission; BSA; bovine serum albumin; CVD; chemical vapor deposition; CFG; chemical functionaliz
Structure and redox properties of polymethine dyes: Electrochemical and DFT/TD-DFT study
Keywords: انسان، هومو; Polymethines; Voltammetry; HOMO; LUMO; DFT/TD-DFT calculations;
Structures and electronic properties of halogenated Au(III) phthalocyanine AuPcX (Xâ¯=â¯Cl, Br): A Density Functional Theoretical Study
Keywords: انسان، هومو; Phthalocyanine; Density functional theory; HOMO; Solvent effect;
The natural food colorant Peonidin from cranberries as a potential radical scavenger - A DFT based mechanistic analysis
Keywords: انسان، هومو; OS; Oxidative Stress; ROS; Reactive Oxygen Species; RNS; Reactive Nitrogen Species; PG; Pelargonidin; CY; Cyanidin; DP; Delphinidin; PN; Peonidin; PT; Petunidin; MA; Malvidin; DFT; Density Functional Theory; HF; Hartree Fock; HAT; Hydrogen Atom Transfer;
Mechanism of oxidative DNA damage induced by metabolites of carcinogenic naphthalene
Keywords: انسان، هومو; IARC; The International Agency for Research on Cancer; NQ; naphthoquinone; NQH2; hydroxynaphthalene; 8-oxodG; 8-oxo-7,8-dihydro-2â²-deoxyguanosine; HOMO; highest occupied molecular orbital; LUMO; lowest unoccupied molecular orbital; HPLC; high-performanc
Redox-active metal-metal bonds between lanthanides in dimetallofullerenes
Keywords: انسان، هومو; EMF; endohedral metallofullerene; di-EMF; dimetallofullerene; MO; molecular orbital; HOMO; highest occupied molecular orbital; LUMO; lowest unoccupied molecular orbital; EPR; electron paramagnetic resonance; M-M bond; metal-metal bond; Vis-NIR; visibl
Exploration of the molecular interactions between angiotensin-I-converting enzyme (ACE) and the inhibitory peptides derived from hazelnut (Corylus heterophylla Fisch.)
Keywords: انسان، هومو; ACE; angiotensin-I converting enzyme; AVKVL; Ala-Val-Lys-Val-Leu; BLAST; Basic Local Alignment Search Tool; BP; blood pressure; BW; body weight; CV; column volumes; DBP; diastolic blood pressure; HOMO; highest occupied molecular orbit; HPLC-MS/MS; high pe
Systematic design of indium-based luminophores with color-tunable emission via combined manipulation of HOMO and LUMO levels
Keywords: انسان، هومو; Indium; Luminophore; Salen; HOMO; LUMO;
Chrysin: Sources, beneficial pharmacological activities, and molecular mechanism of action
Keywords: انسان، هومو; Passifloraceae; Passiflora caerulea; Chrysin; Pharmacological activities; Bioavailability; Molecular docking; AC; adenylyl cyclase; AGEs; advanced glycation end products; ACR; acrylamide; AHR; aryl hydrocarbon receptor; AMPK; AMP-activated protein kinase;
Photodegradation of sulfasalazine and its human metabolites in water by UV and UV/peroxydisulfate processes
Keywords: انسان، هومو; Peroxydisulfate; Photolysis; Sulfasalazine; Sulfate radical; UV 254â¯nm; AOPs; advanced oxidation processes; 5-ASA; 5-aminosalicylic acid; DAD; diode array detector; DBPs; disinfection by-products; DNA; deoxyribonucleic acid; DFT; density functional theo
Heteroleptic diimine-diphosphine Cu(I) complexes as an alternative towards noble-metal based photosensitizers: Design strategies, photophysical properties and perspective applications
Keywords: انسان، هومو; ACN; acetonitrile; ATRA; atom transfer radical addition; bpy; 2,2â²-bipyridine; CDC; cross-dehydrogenative coupling; DCM; dichloromethane; DFT; density functional theory; DHA; dihedral angle; DMF; dimethylformamide; DSSC; dye sensitized solar cell; FC; F
Luminescent cyclometalated-pentafluorophenyl PtII, PtIV and heteropolynuclear complexes
Keywords: انسان، هومو; Br-Hpbt; 2-(4-bromophenyl)benzothiazole; CC; cluster-centered; cyclen; 1,4,7,10-tetraazacyclododecane; Hbzq; 7,8-benzo[h]quinoline; Hdfppy; 2-(2,4-difluorophenyl)pyridine; HE; high energy; HOMO; highest occupied molecular orbital; Hpbt; 2-phenylbenzothiaz
Biosupramolecular bacteriochlorin aggregates as hole-transporters for perovskite solar cells
Keywords: انسان، هومو; BChl; bacteriochlorin; cmTiO2; compact TiO2; CV; cyclic voltammetry; DMF; N,N-dimethylformamide; DMSO; dimethylsulfoxide; Eg; band-gap energy; EQE; external quantum efficiency; FF; fill factor; FTO; fluorine-doped tin oxide; HOMO; highest occupied molecul
Computational studies at the density functional theory (DFT) level about the surface functionalization of hexagonal monolayers by chitosan monomer
Keywords: انسان، هومو; DFT; density functional theory; GGA; generalized gradient approximation; BSSE; basis set superposition error; RI; resolution of identity; CNT; carbon nanotube; h-BN; hexagonal boron-nitride; SPE; single point energy; PES; potential energy surface; SW; Sto
Cytoprotection of lipoic acid against toxicity induced by saxitoxin in hippocampal cell line HT-22 through in silico modeling and in vitro assays
Keywords: انسان، هومو; ARE; antioxidant response element; BBB; blood brain barrier; CNS; central nervous system; dc-STX; dc-saxitoxin; DFT; density functional simulation; DHLA; dihidrolipoic acid; DMEM; Dulbenco's Modified Eagles Medium containing high glucose; DMSO; dimetils
N-heterocyclic carbene supported halosilylenes: New frontiers in an emerging field
Keywords: انسان، هومو; Ar; aryl; Et; ethyl; cAAC; cyclic alkyl(amino) carbene; Cp; η-cyclopentadienyl; Cp*; η-pentamethyl cyclopentadienyl; DFT; density functional theory; diip; 2,6-diisopropylphenyl; EI-MS; electron ionization mass spectrometry; HOMO; highest occupied molecu
Metal chelating ability and antioxidant properties of Curcumin-metal complexes - A DFT approach
Keywords: انسان، هومو; DMSO; Dimethyl Sulfoxide; Cur; Curcumin; CurEN-M2+; Enol Curcumin N â M2+ (where N = 1, 2, and 3: M2+ = Mn2+, Fe2+ and Zn2+); BDE; Bond dissociation energy; IP; Ionization energy; HOMO; Highest Occupied Molecular Orbital; LUMO; Lowest Unoccupied M
Recent theoretical progress in the organic/metal-organic sensitizers as the free dyes, dye/TiO2 and dye/electrolyte systems; Structural modifications and solvent effects on their performance
Keywords: انسان، هومو; DSSC; dye-sensitized solar cells; LUMO; lowest unoccupied molecular orbital; HOMO; highest occupied molecular orbital; FF; fill factor; VOC; open circuit voltage; JSC; short-circuit photocurrent density; ÎGinj; free energy change of electron injection; Î
Synthesis, structural configuration and DFT molecular orbital studies of [Mn-2[benzo[b]oxazole] acetonitrile] complexes encapsulated in ZSM-5: Direct synthesis of phenol by benzene hydroxylation
Keywords: انسان، هومو; ZSM-5; XPS; ESR; Mn-complexes; Hydroxylation of benzene; HOMO; LUMO;
Design, synthesis and biological screening of 2-aminobenzamides as selective HDAC3 inhibitors with promising anticancer effects
Keywords: انسان، هومو; B16F10; murine melanoma cells; CDCl3; deuterated chloroform; CTCL; cutaneous T-cell lymphoma; DCM; dichloromethane; DFT; density functional theory; DMAP; 4-Dimethylaminopyridine; DMEM; Dulbecco's modified Eagle's media; DMF; dimethylformamide; DMSO; dimet
Graphene- and CNTs-based carbocatalysts in persulfates activation: Material design and catalytic mechanisms
Keywords: انسان، هومو; Carbon nanotubes; Graphene; Peroxydisulfate; Peroxymonosulfate; Reaction pathways; AO7; acid orange 7; Eads; adsorption energy; AOPs; advanced oxidation processes; NH2-G; aminated graphene/NH2 functionalized graphene; BA; benzoic acid; BG; boron-doped gra
Synthesis, antibacterial screening and DFT studies of series of α-amino-phosphonates derivatives from aminophenols
Keywords: انسان، هومو; α-aminophosphonates; Antibacterial activity; DFT; HOMO; LUMO; MESP;
Engineering electronic structure of a fullerene C20 bowl with germanium impurities
Keywords: انسان، هومو; Fullerene C20 bowl; DFT; B3LYP; HOMO; LUMO; Energy gap;
Experimental and theoretical study of bifunctionalized PEO-PPO-PEO triblock copolymers with applications as dehydrating agents for heavy crude oil
Keywords: انسان، هومو; A; electron affinity; AM1; Austin model 1; DFT; density functional theory; HOMO; highest occupied molecular orbital; I; ionization potential; Ip; polydispersity index; LUMO; lowest unoccupied molecular orbital; MLR; multiple linear regression; Mn; number
Modeling of the inclusive complexation of natural drug trans 3,5,3â²,4â²-tetrahydroxystilbene with β-cyclodextrin
Keywords: انسان، هومو; Cyclodextrin; Piceatannol; PM3; HOMO; LUMO; Molecular modeling;
Electronic structure, FT-IR analysis and nematic behaviour studies of para-methoxybenzylidine p-ethylaniline: Ab-initio and DFT approach
Keywords: انسان، هومو; Nematic liquid crystal; PES; MEP; HOMO; LUMO; IR spectrum; Interaction energy;
Human Palaeontology and Prehistory (Palaeoanthropology)Inner structural organization of the distal humerus in Paranthropus and HomoOrganisation de la structure interne de l'humérus distal chez Paranthropus et Homo
Keywords: انسان، هومو; Distal humerus; Inner structure; Cortical bone topography; Paranthropus; Homo; Humérus distal; Structure interne; Topographie de l'os cortical; Paranthropus; Homo;
Corrosion resistance and thermal behavior of acetylacetonato-oxoperoxomolybdenum(VI) complex of maltol: Experimental and DFT studies
Keywords: انسان، هومو; Oxoperoxomolybdenum(VI); DFT; HOMO; LUMO; MESP;
Application of C60, C72 and carbon nanotubes as anode for lithium-ion batteries: A DFT study
Keywords: انسان، هومو; Lithium-ion battery; Nanocage; Nanotube; Adsorption energy; Voltage cell; DFT; Density functional theory; B3LYP; Becke 3-parameter Lee, Yang and Parr; CNT; carbon nanotube; HOMO; highest occupied molecular orbital; LUMO; lowest unoccupied molecular orbita
Identification of novel inhibitors against Cyclin Dependent Kinase 9/Cyclin T1 complex as: Anti cancer agent
Keywords: انسان، هومو; SBVS; structure based virtual screening; CTD; carboxy terminal domain; P-TEFB; positive transcription elongation factor B; CDK9; Cyclin Dependent Kinase 9; DFT; density functional theory; MW; molecular weight; HOMO; high occupied molecular orbital; LUMO;
ReviewTranscription and DNA Damage: Holding Hands or Crossing Swords?
Keywords: انسان، هومو; DSBs; DNA double-strand breaks; DDR; DNA damage response; MRN; MRE11-RAD50-NBS1; ATM; ataxia telangiectasia mutated; MDC1; mediator of DNA-damage checkpoint; 53BP1; p53-binding protein; NHEJ; non-homologous end joining; ncRNA; non-coding RNA; HR; homo
Electrical characterization of C28 fullerene junctions formed with group 1B metal electrodes
Keywords: انسان، هومو; C28; HOMO; LUMO; MPSH; Eigen states;
Molecular interaction forces in acetone + ethanol binary liquid solutions: FTIR and theoretical studies
Keywords: انسان، هومو; HOMO; LUMO; Blue shifted H-bonds; Second order perturbation energy; Interaction energy;
Difluoroboron β-diketonate dyes: Spectroscopic properties and applications
Keywords: انسان، هومو; OLEDs; organic light emitting diodes; BF2bdks; difluoroboron β-diketonates; BF2dbm; difluoroboron dibenzoylmethane; RTP; room temperature phosphorescence; BODIPY; boron dipyrromethene; ICT; intramolecular charge transfer; TICT; twisted intramolecular cha
Over the LEC rainbow: Colour and stability tuning of cyclometallated iridium(III) complexes in light-emitting electrochemical cells
Keywords: انسان، هومو; Ir-iTMC; iridium ionic transition metal complex; C^N; cyclometallating ligand; N^N; chelating N,Nâ²-donor ligand; HOMO; highest occupied molecular orbital; LUMO; lowest unoccupied molecular orbital; DFT; density functional theory; TD-DFT; time dependent
The skull of Homo naledi
Keywords: انسان، هومو; Cranial and mandibular variation; Dinaledi; South Africa; Homo; Rising Star cave system;
First principle electron transport modeling of Be-doped organic molecular junctions
Keywords: انسان، هومو; Rectification; NDR; DFT- NEGF; HOMO; LUMO; Mulliken population;