Rapid and sensitive detection of box turtles using an electrochemical DNA biosensor based on a gold/graphene nanocomposite

• Abu Hashem,
• M. A. Motalib Hossain,
• Ab Rahman Marlinda,
• Mohammad Al Mamun,
• Khanom Simarani and
• Mohd Rafie Johan

Beilstein J. Nanotechnol. 2022, 13, 1458–1472, doi:10.3762/bjnano.13.120

• the composite (Figure 2f) indicated the presence of AuNPs. Fourier-transform infrared spectroscopy (FTIR) was used to investigate the vibrational spectrum of the functional groups present in the nanoparticles and their composites. The FTIR spectra of Gr, AuNPs, and DNA/AuNPs/Gr were fused in Figure 2g

Disorder in H⁺-irradiated HOPG: effect of impinging energy and dose on Raman D-band splitting and surface topography

• Lisandro Venosta,
• Noelia Bajales,
• Sergio Suárez and
• Paula G. Bercoff

Beilstein J. Nanotechnol. 2018, 9, 2708–2717, doi:10.3762/bjnano.9.253

• technique to characterize different samples and gain new insights on the splitting of the D band into two components (D1 and D2), trying to correlate this feature of the vibrational spectrum with the impinging energy and dose. An increased ID2/IG ratio in comparison with ID1/IG was observed in the

Enhanced antineoplastic/therapeutic efficacy using 5-fluorouracil-loaded calcium phosphate nanoparticles

• Shanid Mohiyuddin,
• Saba Naqvi and
• Gopinath Packirisamy

Beilstein J. Nanotechnol. 2018, 9, 2499–2515, doi:10.3762/bjnano.9.233

• colloid (data not shown). Fourier-transform infrared spectroscopy analysis The vibrational spectrum in the infrared region of synthesized CaP@5-FU NPs and CaP NPs with the drug 5-FU was observed to establish the chemical confirmation of the synthesized material with respect to the functional group. The

Nanoantenna-assisted plasmonic enhancement of IR absorption of vibrational modes of organic molecules

• Alexander G. Milekhin,
• Olga Cherkasova,
• Sergei A. Kuznetsov,
• Ilya A. Milekhin,
• Ekatherina E. Rodyakina,
• Alexander V. Latyshev,
• Sreetama Banerjee,
• Georgeta Salvan and
• Dietrich R. T. Zahn

Beilstein J. Nanotechnol. 2017, 8, 975–981, doi:10.3762/bjnano.8.99

• coverage of CoPc over the sample. The IR spectrum of a 10 nm thick CoPc film is presented in Figure 3 in the spectral range of 500–2000 cm−1, where most absorption lines of CoPc are located. The vibrational spectrum of the CoPc film is similar to that defined for CoPc earlier [26][27][28][29][30][31] by

First-principles study of the structure of water layers on flat and stepped Pb electrodes

• Xiaohang Lin,
• Ferdinand Evers and
• Axel Groß

Beilstein J. Nanotechnol. 2016, 7, 533–543, doi:10.3762/bjnano.7.47

• at the stepped surfaces show a characteristic splitting into three modes in the O–H stretch region. Keywords: density functional theory calculations; Pb surfaces; stepped surfaces; vibrational spectrum; water structure; Introduction The interaction of water with metals is of immense technological

• stepped surfaces have been determined both experimentally [17][25] and numerically [16]. Using the Fourier transform of the velocity auto-correlation function, we also derived the vibrational spectrum of the water layers on the considered Pb surfaces at the temperature of 140 K (see Figure 6). These

Probing the local environment of a single OPE3 molecule using inelastic tunneling electron spectroscopy

• Riccardo Frisenda,
• Mickael L. Perrin and
• Herre S. J. van der Zant

Beilstein J. Nanotechnol. 2015, 6, 2477–2484, doi:10.3762/bjnano.6.257

• . Different approaches have been proposed to extract the vibrational spectrum of an individual molecule, either employing optical [9][10][11] or electrical [12][13][14][15] measurements. Among the electrical methods, many different approaches have been employed such as current fluctuations [14], resonant

Thermoelectricity in molecular junctions with harmonic and anharmonic modes

• Bijay Kumar Agarwalla,
• Jian-Hua Jiang and
• Dvira Segal

Beilstein J. Nanotechnol. 2015, 6, 2129–2139, doi:10.3762/bjnano.6.218

• , two limiting variants of the basic construction are examined, as displayed in Figure 1: (a) The vibration is harmonic in the so-called “harmonic oscillator” (HO) model. (b) To learn about deviations from the harmonic picture, we truncate the vibrational spectrum to include only its two lowest levels

Size variation of infrared vibrational spectra from molecules to hydrogenated diamond nanocrystals: a density functional theory study

• Mudar A. Abdulsattar

Beilstein J. Nanotechnol. 2013, 4, 262–268, doi:10.3762/bjnano.4.28

• theory at the level of the generalized gradient approximation of Perdew, Burke and Ernzerhof (PBE) using 3-21G basis states. The frequencies in the vibrational spectrum are analyzed against reduced masses, force constants and intensities of vibration. The spectrum can be divided into two regions

Investigation on structural, thermal, optical and sensing properties of meta-stable hexagonal MoO₃ nanocrystals of one dimensional structure

• Angamuthuraj Chithambararaj and
• Arumugam Chandra Bose

Beilstein J. Nanotechnol. 2011, 2, 585–592, doi:10.3762/bjnano.2.62

• -based chemical precipitation technique. The metastable hexagonal phase was confirmed by XRD. The crystallite size of the h-MoO3 was in nanometer range and the corresponding strain was in the order of 10−6. The metal–oxygen vibrational states (M=O and M–O) were identified from the vibrational spectrum

Towards a scalable and accurate quantum approach for describing vibrations of molecule–metal interfaces

• David M. Benoit,
• Bruno Madebene,
• Inga Ulusoy,
• Luis Mancera,
• Yohann Scribano and
• Sergey Chulkov

Beilstein J. Nanotechnol. 2011, 2, 427–447, doi:10.3762/bjnano.2.48

• efficient computational tool. We also present results on the vibrational spectrum of hydrogen fluoride on pyrene, on the thiophene molecule in the gas phase, and on small neutral gold clusters. Keywords: computational scaling; grid computing; molecule–metal interactions; periodic density functional theory

• Hamiltonians, as vibrational spectra probe bond strengths directly. Unfortunately, standard vibrational theory is often powerless to explain the subtle changes observed in the vibrational spectrum when a molecule undergoes a conformational change or is adsorbed on a surface. Indeed, the harmonic approximation

• measurable vibrational spectrum, within the Born–Oppenheimer approximation. This paper focuses on VSCF-based techniques and describes our local implementation, PVSCF, that aims to reduce the computational cost of the direct-VSCF method for large and interfacial systems. In order to render this approach