المؤلفون: Anton Kasprzhitskii, Alexander Kruglikov, Yakov Ermolov, Anna Dolgova

المصدر: Data in Brief, Vol 54, Iss , Pp 110489- (2024)

مصطلحات موضوعية: Kaolinite, Edge surface, OH-group, DFT, DOS, Work function, Computer applications to medicine. Medical informatics, R858-859.7, Science (General), Q1-390

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S235234092400458X; https://doaj.org/toc/2352-3409

URL الوصول: https://doaj.org/article/306df6e90a7f4a62b55de28f93e8809e

المؤلفون: Xuemei Cui, Xiaoying Xie, Yun Li, Yue Chen, Yan Ma, Shubin Yang

المصدر: Molecules, Vol 29, Iss 23, p 5614 (2024)

مصطلحات موضوعية: -OH group, -COOH group, U(VI) enrichment, chemical affinity, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1420-3049/29/23/5614; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/e403e4f1c3f54369b7f98bce08263b7b

المؤلفون: Nozomi Yoneda, Haruka Iyama, Takashi Nagata, Masato Katahira, Yoshiki Ishii, Kohei Tada, Kazuhiko Matsumoto, Rika Hagiwara

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Biotechnology, Virology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, theoretical calculations reveal, sup >–, study comparatively investigates, similar saturated concentrations, isopropanol vs hexafluoroisopropanol, hydrogen bonding donor, csf – 2, csf – 1, typically used, two systems, spectroscopic analyses, providential avenue, present results, physical properties, oh group, limited understanding, large cations, ion association, high basicity, fluoroalkyl group, fluoride ion, disparate states, diffusion coefficient

Relation: https://figshare.com/articles/journal_contribution/Fluoride_Ion_in_Alcohols_Isopropanol_vs_Hexafluoroisopropanol/25148248

الاتاحة: https://doi.org/10.1021/acs.jpclett.3c03619.s001
https://figshare.com/articles/journal_contribution/Fluoride_Ion_in_Alcohols_Isopropanol_vs_Hexafluoroisopropanol/25148248

المؤلفون: Ravi Malik, Abhilash Chandra, Banshi Das, Amalendu Chandra

مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Ecology, Cancer, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, isotopically dilute solutions, four different temperatures, cross peaks corresponding, oh stretch modes, interfacial oh group, bonded oh groups, bonded oh group, dangling oh group, molecular dynamics simulations, corresponding spectral diffusion, interfacial water molecules, bulk water molecules, electronic structure calculations, dangling oh, bonded molecules, spectral diffusion, interfacial water, bulk water, interfacial structure, vibrational modes, bonded state, surface water

Relation: https://figshare.com/articles/journal_contribution/Theoretical_Study_of_the_Two-Dimensional_Vibrational_Sum_Frequency_Generation_Spectroscopy_of_the_Air_Water_Interface_at_Varying_Temperature_and_Its_Connections_to_the_Interfacial_Structure_and_Dynamics/24757648

الاتاحة: https://doi.org/10.1021/acs.jpcb.3c03205.s001
https://figshare.com/articles/journal_contribution/Theoretical_Study_of_the_Two-Dimensional_Vibrational_Sum_Frequency_Generation_Spectroscopy_of_the_Air_Water_Interface_at_Varying_Temperature_and_Its_Connections_to_the_Interfacial_Structure_and_Dynamics/24757648

المؤلفون: N.V. Sidorov, N.A. Teplyakova, M.N. Palatnikov

المصدر: Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, Iss 13, Pp 376-382 (2021)

مصطلحات موضوعية: single crystal, lithium niobate, defects, ir absorption spectra, doping, stretching vibrations of oh-group, Physical and theoretical chemistry, QD450-801

وصف الملف: electronic resource

Relation: https://physchemaspects.ru/2021/doi-10-26456-pcascnn-2021-13-376/?lang=en; https://doaj.org/toc/2226-4442; https://doaj.org/toc/2658-4360

URL الوصول: https://doaj.org/article/9e0639a25eda4ac5a9956534d46da145

المؤلفون: Shuvendu Shuvankar Purohit, Anuradha Biswal, Priyaranjan Mohapatra, Lokanath Mishra, Monalisa Mishra, Sashi Bhusan Biswal, Sarat K. Swain

مصطلحات موضوعية: Biochemistry, Medicine, Biotechnology, Immunology, Cancer, Space Science, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, studies involving mice, morganella morganii bacteria, minimum cell viability, microscopic investigations establish, hela cells exhibited, graphene quantum dot, garnered significant attention, ftir study establishes, effective biological actions, combined results establish, bovine serum albumin, 5 nm results, 45 mg cm, 20 μm concentration, wound dressing material, − oh group, skin inflammation phase, wound healing investigations, pva ), complemented, vivo wound healing

Relation: https://figshare.com/articles/journal_contribution/In_Vivo_Wound_Healing_in_Drosophila_melanogaster_and_Mouse_Models_Synergistic_Effect_of_Bovine_Serum_Albumin_and_Graphene_Quantum_Dots/24711603

الاتاحة: https://doi.org/10.1021/acsabm.3c00743.s001
https://figshare.com/articles/journal_contribution/In_Vivo_Wound_Healing_in_Drosophila_melanogaster_and_Mouse_Models_Synergistic_Effect_of_Bovine_Serum_Albumin_and_Graphene_Quantum_Dots/24711603

المؤلفون: Branden E. Leonhardt, Hengyuan Shen, Martin Head-Gordon, Alexis T. Bell

مصطلحات موضوعية: Biophysics, Physiology, Biotechnology, Ecology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, – ti –, – oh group, remained relatively constant, region ), whereas, ray absorption near, energy decomposition analysis, t747 cluster representing, ray absorption spectroscopy, tetrahedral facet area, seven polar molecules, also qualitatively consistent, 2 , surrounding amorphous silica, measurements bind pyridine, increasing pyridine coverages, mm calculations made, study presents experimental, polar molecules, amorphous silica, small cluster, measurements reported, higher coverages, also found

Relation: https://figshare.com/articles/journal_contribution/Experimental_and_Theoretical_Evidence_for_Distorted_Tetrahedral_Ti_OH_Sites_Supported_on_Amorphous_Silica_and_Their_Effect_on_the_Adsorption_of_Polar_Molecules/24908062

الاتاحة: https://doi.org/10.1021/acs.jpcc.3c07027.s001
https://figshare.com/articles/journal_contribution/Experimental_and_Theoretical_Evidence_for_Distorted_Tetrahedral_Ti_OH_Sites_Supported_on_Amorphous_Silica_and_Their_Effect_on_the_Adsorption_of_Polar_Molecules/24908062

المؤلفون: N.A. Teplyakova, N.V. Sidorov, M.N. Palatnikov

المصدر: Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, Iss 12, Pp 200-205 (2020)

مصطلحات موضوعية: single crystal, lithium niobate, defects, ir absorption spectra, stretching vibrations of oh - group, Physical and theoretical chemistry, QD450-801

وصف الملف: electronic resource

Relation: https://physchemaspects.ru/2020/doi-10-26456-pcascnn-2020-12-200/; https://doaj.org/toc/2226-4442; https://doaj.org/toc/2658-4360

URL الوصول: https://doaj.org/article/5d030def193149c9ac707b9c0a89c466

المؤلفون: Marularadhya C. Hiremath, A. Sreenivasa

المصدر: International Journal of Economic and Environment Geology, Vol 11, Iss 1, Pp 72-76 (2020)

مصطلحات موضوعية: ftir, tga, dta, oh group, gadisunkapur, hungund-kushtagi schist belt, Geology, QE1-996.5

وصف الملف: electronic resource

Relation: https://www.econ-environ-geol.org/index.php/ojs/article/view/415/283; https://doaj.org/toc/2223-957X

URL الوصول: https://doaj.org/article/df392ddbc6a54090bee472b7ac011a71

المؤلفون: Róbert Diószegi (11948272), Dóra Bonczidai-Kelemen (11112773), Attila Cs. Bényei (11948275), Nóra V. May (6094811), István Fábián (1585063), Norbert Lihi (1936156)

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Physiology, Pharmacology, Cancer, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, uv – vis, superoxide anion radical, ray diffraction methods, phenolic oh group, magnitude higher activity, carboxylate pendant arms, tyrosine (< b, alanine (< b, corresponding ternary species, based ligands functionalized, pydityr , pydiala , copper ­( ii, former species, dicarboxamide ligands, n <, two systems, side chains, results serve, probably due, practical applications, metal center

Relation: https://figshare.com/articles/journal_contribution/Copper_II_Complexes_of_Pyridine-2_6-dicarboxamide_Ligands_with_High_SOD_Activity/18394357

الاتاحة: https://doi.org/10.1021/acs.inorgchem.1c03728.s001

المؤلفون: Haoyu Wu, Mingyue He, Shaokun Wu, Mei Yang, Xi Liu

المصدر: Crystals; Volume 12; Issue 12; Pages: 1759

مصطلحات موضوعية: pyrophyllite, talc, near-infrared spectroscopy, OH group

وصف الملف: application/pdf

Relation: https://dx.doi.org/10.3390/cryst12121759

الاتاحة: https://doi.org/10.3390/cryst12121759

المؤلفون: Ilya Likhachev, Nikolay Balabaev, Vladimir Bystrov, Ekaterina Paramonova, Leon Avakyan, Natalia Bulina

المصدر: Nanomaterials; Volume 12; Issue 23; Pages: 4244

مصطلحات موضوعية: hydroxyapatite, modeling, molecular dynamics simulation, structural defects, OH group and OH vacancy, OH evaporation, thermal behavior, nanomaterials

وصف الملف: application/pdf

Relation: Theory and Simulation of Nanostructures; https://dx.doi.org/10.3390/nano12234244

الاتاحة: https://doi.org/10.3390/nano12234244

المؤلفون: Shaokun Wu, Mingyue He, Mei Yang, Bijie Peng

المصدر: Crystals; Volume 12; Issue 7; Pages: 907

مصطلحات موضوعية: near-infrared spectroscopy, kaolinite, dickite, OH group

وصف الملف: application/pdf

Relation: Mineralogical Crystallography and Biomineralization; https://dx.doi.org/10.3390/cryst12070907

الاتاحة: https://doi.org/10.3390/cryst12070907

المؤلفون: Xiaoyan Kang (4765941), Yedi Chang (10297854), Limin Yang (391341), Yizhuang Xu (1871185), Guozhong Zhao (1882672), Shuai Li (65944), Isao Noda (2023246), Kexin Liu (1547230), Jia’er Chen (1882666), Jinguang Wu (1882675)

مصطلحات موضوعية: Biophysics, Biochemistry, Pharmacology, Chemical Sciences not elsewhere classified, OLMH, μ 2, Chemically Inert OH Group Promoted, metal ions, 63 rare-earth complexes, deprotonation, OH group

Relation: https://figshare.com/articles/journal_contribution/Unexpected_Deprotonation_from_a_Chemically_Inert_OH_Group_Promoted_by_Metal_Ions_in_Lanthanide_Erythritol_Complexes/14210898

الاتاحة: https://doi.org/10.1021/acs.inorgchem.1c00179.s001

المؤلفون: Hao Wang (39217), Junhua Chen (1659316), Yang Zheng (185762), Daniel A. Obenchain (1503904), Xuefang Xu (163899), Qian Gou (1299825), Jens-Uwe Grabow (1291554), Walther Caminati (1291143)

مصطلحات موضوعية: Biophysics, Biochemistry, Hematology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, side alkyl chain, observations would allow, intramolecular hydrogen bonds, π *< sub, plane c ···, dominating c ···, 0 – 2, phenol – co, aromatic , 6 , 0 – 4, oh – co, 2 , n <, oh group, >, >< sub, tetrel bond, rotational spectroscopy, pushed farther, new strategies, intermolecular interactions, first time, cannot break

Relation: https://figshare.com/articles/journal_contribution/Interaction_Types_in_C_sub_6_sub_H_sub_5_sub_CH_sub_2_sub_i_sub_n_sub_i_OH_CO_sub_2_sub_i_n_i_0_4_Determined_by_the_Length_of_the_Side_Alkyl_Chain/17698569

الاتاحة: https://doi.org/10.1021/acs.jpclett.1c03740.s002

المؤلفون: Theodora Chatzisideri (11888048), George Leonidis (11564653), Theodoros Karampelas (1820377), Eleni Skavatsou (3708934), Angeliki Velentza-Almpani (11888051), Francesca Bianchini (296273), Constantin Tamvakopoulos (1820383), Vasiliki Sarli (1814602)

مصطلحات موضوعية: Biochemistry, Medicine, Cell Biology, Molecular Biology, Pharmacology, Biotechnology, Cancer, Hematology, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, encouraging data presented, releasing gem slowly, v , tc113 , vivo <, tumor delivery, targeted delivery, promising keystone, oh group, human plasma, gem treatment, carbamate linker, carbamate linkages, a549 cells

Relation: https://figshare.com/articles/journal_contribution/Integrin-Mediated_Targeted_Cancer_Therapy_Using_c_RGDyK_-Based_Conjugates_of_Gemcitabine/17705642

الاتاحة: https://doi.org/10.1021/acs.jmedchem.1c01468.s001

المؤلفون: Tianyi Chen (6305636), Ziyi Chen (458298), Nan Wang (21935), Jianlin Chu (1790485), Bo Fan (383210), Cheng Cheng (68821), Song Qin (21175), Bingfang He (1790482)

مصطلحات موضوعية: Biophysics, Biochemistry, Microbiology, Molecular Biology, Biotechnology, Cancer, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, 3- OH group, RC, iterative combinatorial mutagenesis, polydatin, β- glucoside, resveratrol -3- O, 62G, UGT BL 1, UDPG, SuSy Cascade Reaction Polydatin, Engineered UGT BL 1-

Relation: https://figshare.com/articles/journal_contribution/Highly_Regioselective_and_Efficient_Biosynthesis_of_Polydatin_by_an_Engineered_UGT_sub_BL_sub_1-_i_At_i_SuSy_Cascade_Reaction/15067864

الاتاحة: https://doi.org/10.1021/acs.jafc.1c02518.s001

المؤلفون: Daria Ruth Galimberti (10647591), Joachim Sauer (1360143)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Biotechnology, Cancer, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, δs ), respectively, zeolitic oh group, reduced computational cost, mean absolute deviations, major improvement compared, gibbs free energy, entropy terms show, entropy term (−<, alkane molecule interacting, two short trajectories, gibbs free energies, experimentally measured values, anharmonic frequencies obtained, propane (− 7, vibrational modes localized, ethane (− 4, vibrational energies, trajectories accounts, obtained follow, experimental values, 7 kj, vibrational density

Relation: https://figshare.com/articles/journal_contribution/Chemically_Accurate_Vibrational_Free_Energies_of_Adsorption_from_Density_Functional_Theory_Molecular_Dynamics_Alkanes_in_Zeolites/16539623

الاتاحة: https://doi.org/10.1021/acs.jctc.1c00519.s001

المؤلفون: Feng Yao (44334), Shuyan Guan (11162743), Linyan Bian (5430530), Yanping Fan (281520), Xianyun Liu (146653), Huanhuan Zhang (438440), Baojun Li (1376400), Baozhong Liu (303836)

مصطلحات موضوعية: Biochemistry, Ecology, Science Policy, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, − oh group, ultrafine palladium nanoparticles, local coordination environment, initial turnover frequency, comprehensive analysis revealed, 3 , 2 , exciting effect originated, deficient support alk, exciting effect, major challenge, interfacial activation, hydrolysis reaction, effortlessly activated, efficient generation, developing high, ammonia borane, 6 min, 0 wt

Relation: https://figshare.com/articles/journal_contribution/Ensemble-Exciting_Effect_in_Pd_alk-Ti_sub_3_sub_C_sub_2_sub_on_the_Activity_for_Efficient_Hydrogen_Production/16559696

الاتاحة: https://doi.org/10.1021/acssuschemeng.1c04249.s001

المؤلفون: Chengwen Huang (8727225), Shengwei Shi (3226881), Huangzhong Yu (8727228)

مصطلحات موضوعية: Microbiology, Neuroscience, Physiology, Biotechnology, Developmental Biology, Cancer, Hematology, Space Science, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, unique optoelectronic properties, surface functional groups, polymer solar cells, organic solar cells, great application prospect, electron transport layers, electron transport layer, 51 %, respectively, 71 , 6 , 36 , 2 , hole transport layer, work function adjustment, − oh group, − f group, x <, work function, sub ><

Relation: https://figshare.com/articles/journal_contribution/Work_Function_Adjustment_of_Nb_sub_2_sub_CT_sub_i_x_i_sub_Nanoflakes_as_Hole_and_Electron_Transport_Layers_in_Organic_Solar_Cells_by_Controlling_Surface_Functional_Groups/16590356

الاتاحة: https://doi.org/10.1021/acsenergylett.1c01656.s001