Integrating high-performance computing, machine learning, data management workflows, and infrastructures for multiscale simulations and nanomaterials technologies

• Fabio Le Piane,
• Mario Vozza,
• Matteo Baldoni and
• Francesco Mercuri

Beilstein J. Nanotechnol. 2024, 15, 1498–1521, doi:10.3762/bjnano.15.119

• candidates for specific applications [10]. In addition to materials design, digital technologies can enhance the characterization and understanding of materials. Advanced imaging techniques, coupled with computational analysis, enable researchers to examine the microstructure and behavior of materials at

• simulations [21][22]. Modern GPUs, originally designed for gaming and multimedia applications, possess immense parallel processing capabilities that can be harnessed for scientific computations. Researchers have successfully leveraged GPUs to accelerate computationally intensive simulations, such as molecular

• predictive power of data-driven approaches. The synergy between models enables more accurate predictions, enhances the exploration of materials design space, and accelerates the discovery of novel materials with desired properties. A SWOT analysis of DT applications in the materials development domain is

Polymer lipid hybrid nanoparticles for phytochemical delivery: challenges, progress, and future prospects

• Iqra Rahat,
• Pooja Yadav,
• Aditi Singhal,
• Mohammad Fareed,
• Jaganathan Raja Purushothaman,
• Mohammed Aslam,
• Raju Balaji,
• Sonali Patil-Shinde and
• Md. Rizwanullah

Beilstein J. Nanotechnol. 2024, 15, 1473–1497, doi:10.3762/bjnano.15.118

• hybrid nanoparticles (PLHNPs) have emerged as a novel delivery system that combines the advantages of both polymeric and lipid-based nanoparticles to overcome these challenges. This review explores the potential of PLHNPs to enhance the delivery and efficacy of phytochemicals for biomedical applications

• challenges ahead and prospects of PLHNPs regarding their widespread use in clinical settings. Overall, PLHNPs hold strong potential for the effective delivery of phytochemicals for biomedical applications. As per the findings from pre-clinical studies, this may offer a promising strategy for managing various

• , rapid metabolism, and instability under physiological conditions [9][10][11]. These challenges necessitate the development of advanced delivery systems to harness the full potential of phytochemicals in therapeutic applications. Polymer lipid hybrid nanoparticles (PLHNPs) represent an innovative class

Effect of radiation-induced vacancy saturation on the first-order phase transformation in nanoparticles: insights from a model

• Aram Shirinyan and
• Yuriy Bilogorodskyy

Beilstein J. Nanotechnol. 2024, 15, 1453–1472, doi:10.3762/bjnano.15.117

• in an inert environment, can be considered highly dispersed composite materials (HDCMs). HDCMs exhibit potential for the use under conditions of high temperatures and radiation exposure, making them promising materials for new-generation modular nuclear reactors, advanced charge storage applications

Strain-induced bandgap engineering in 2D ψ-graphene materials: a first-principles study

• Kamal Kumar,
• Nora H. de Leeuw,
• Jost Adam and
• Abhishek Kumar Mishra

Beilstein J. Nanotechnol. 2024, 15, 1440–1452, doi:10.3762/bjnano.15.116

• applications. However, the metallic nature of these materials restricts their applications in specific domains. Strain engineering is a versatile technique to tailor the distribution of energy levels, including bandgap opening between the energy bands. ψ-Graphene is a newly predicted 2D nanosheet of carbon

• unchanged under the influence of mechanical strain, preserving its initial characteristic of having a direct bandgap. This behavior offers opportunities for these materials in various vital applications in photodetectors, solar cells, LEDs, pressure and strain sensors, energy storage, and quantum computing

• two-dimensional (2D) material, consisting of a single layer of sp2-hybridized carbon atoms arranged together in a hexagonal lattice [1]. Because of its extraordinary electrical and thermal conductivity, large surface area, and easy chemical functionalization, it provides a variety of applications in

Ion-induced surface reactions and deposition from Pt(CO)₂Cl₂ and Pt(CO)₂Br₂

• Mohammed K. Abdel-Rahman,
• Patrick M. Eckhert,
• Atul Chaudhary,
• Johnathon M. Johnson,
• Jo-Chi Yu,
• Lisa McElwee-White and
• D. Howard Fairbrother

Beilstein J. Nanotechnol. 2024, 15, 1427–1439, doi:10.3762/bjnano.15.115

• , deposition strategies in various applications, such as circuit editing and lithographic mask repair in the semiconductor industry [7][8][9][10][11][12] as well as the growth of functional materials for magnetism [13][14][15][16], superconductivity [17], and sensing [18][19]. Compared to FEBID, FIBID operates

Lithium niobate on insulator: an emerging nanophotonic crystal for optimized light control

• Midhun Murali,
• Amit Banerjee and
• Tanmoy Basu

Beilstein J. Nanotechnol. 2024, 15, 1415–1426, doi:10.3762/bjnano.15.114

• (QIP) systems. Despite the challenges such as fabrication complexity [6] and loss mitigation scalability to complex circuits [7], the potential benefits of DBRs for QIP applications continue to drive research and development in this field [8]. As fabrication techniques and material systems develop

• applications. Moreover, its platform with established fabrication techniques guarantees consistent device performance. Finally, the potential for integration with other photonic components on a single chip, coupled with its CMOS compatibility, paves the way for highly sophisticated photonic integrated circuits

• , owing to its elevated refractive index and thermal stability, they are suitable for applications at high temperatures. Additionally, TiO2 exhibits a wide bandgap, making it conducive for incorporation into photonic crystals designed to operate within the ultraviolet and visible spectra. Moreover, its

Nanotechnological approaches for efficient N2B delivery: from small-molecule drugs to biopharmaceuticals

• Selin Akpinar Adscheid,
• Akif E. Türeli,
• Nazende Günday-Türeli and
• Marc Schneider

Beilstein J. Nanotechnol. 2024, 15, 1400–1414, doi:10.3762/bjnano.15.113

• different drug delivery systems suitable for the applications. In addition, we emphasize the importance of the effective delivery of monoclonal antibodies and RNA and stress the recent literature tackling this challenge. While giving examples of nanotechnological approaches for the effective delivery of

• administration route and the barriers are clear, understanding the nasal anatomy and barriers as well as addressing different efficient formulations with DDSs for N2B delivery applications remain open issues. In recent years, biopharmaceuticals been shown to have great potential as therapeutics [32]. However

• action [41]. Intranasal delivery can be used to target a limitedly available site, the brain [42]. These N2B delivery applications are based on the olfactory region of the nasal cavity. Such N2B delivery applications exploit the direct anatomical connection between the brain and the olfactory region [43

Various CVD-grown ZnO nanostructures for nanodevices and interdisciplinary applications

• The-Long Phan,
• Le Viet Cuong,
• Vu Dinh Lam and
• Ngoc Toan Dang

Beilstein J. Nanotechnol. 2024, 15, 1390–1399, doi:10.3762/bjnano.15.112

• results prove that ZnO exhibits many novel nanostructures that can foster the development of next-generation optoelectronic nanodevices and new applications in biological and biomedical fields. Keywords: chemical vapour deposition; electron microscopy; Raman and photoluminescent spectra; ZnO

• DMSs, these nanostructures will be beneficial to the development of new ZnO-based materials for photocatalytic [25], biomedical [26], gas sensing [27][28], and flexible electronic/optoelectronic applications [29][30]. They are usually fabricated by chemical vapour deposition (CVD) or solid-vapour phase

• ⟩ direction [39]. Top and bottom sides/surfaces of these structures are terminated with Zn and O atoms forming positively charged Zn-terminated (0001) and negatively charged O-terminated planes, respectively. Such 1D-type structures have many potential applications in optoelectronic devices [5][39][40

A biomimetic approach towards a universal slippery liquid infused surface coating

• Ryan A. Faase,
• Madeleine H. Hummel,
• AnneMarie V. Hasbrook,
• Andrew P. Carpenter and
• Joe E. Baio

Beilstein J. Nanotechnol. 2024, 15, 1376–1389, doi:10.3762/bjnano.15.111

• BSA [36]. Similar surface-induced thrombus properties were observed in other SLIPS applications, where, in comparison to untreated surfaces, SLIPS-treated surfaces under dynamic blood flow yielded significantly lower thrombi weights [4]. Finally, platelet adhesion was quantified from SEM micrographs

Green synthesis of carbon dot structures from Rheum Ribes and Schottky diode fabrication

• Muhammed Taha Durmus and
• Ebru Bozkurt

Beilstein J. Nanotechnol. 2024, 15, 1369–1375, doi:10.3762/bjnano.15.110

• range of uses in the fields of electrocatalysis, bioimaging, chemical sensors, biosensors, nanomedicine, biomolecule/drug release, light-emitting diodes, and photocatalysts. They also have promising applications in areas such as lasers and optoelectronic device applications [2][3][4][5]. CDs can be

Out-of-plane polarization induces a picosecond photoresponse in rhombohedral stacked bilayer WSe₂

• Guixian Liu,
• Yufan Wang,
• Zhoujuan Xu,
• Zhouxiaosong Zeng,
• Lanyu Huang,
• Cuihuan Ge and
• Xiao Wang

Beilstein J. Nanotechnol. 2024, 15, 1362–1368, doi:10.3762/bjnano.15.109

• intrinsic photoresponse time of approximately 3 ps. The ultrafast response time remains consistent across varying detection powers, demonstrating environmental stability and highlighting the potential in optoelectronic applications. Our study presents an effective strategy for enhancing the response time of

• depolarization fields, providing a promising platform for highly integrated devices [1][2][3]. The emergence of ferroelectricity at the atomic scale in vdW ferroelectrics has garnered significant interest because of its potential applications in various fields [4][5][6][7][8][9][10][11][12][13][14]. Through

• photogenerated carriers and have the potential to advance related device applications. Results and Discussion Out-of-plane polarization of 3R WSe2 Precisely controlling the stacking angle of two monolayers in TMDs can modify the symmetry and induce unique physical properties. Depending on the stacking order

Investigation of Hf/Ti bilayers for the development of transition-edge sensor microcalorimeters

• Victoria Y. Safonova,
• Anna V. Gordeeva,
• Anton V. Blagodatkin,
• Dmitry A. Pimanov,
• Anton A. Yablokov and
• Andrey L. Pankratov

Beilstein J. Nanotechnol. 2024, 15, 1353–1361, doi:10.3762/bjnano.15.108

• is possible to fabricate microcalorimeters with δE less than 1 eV using these films. Keywords: hafnium; microcalorimeter; neutrino; superconducting transition width; superconductivity; TES; Introduction Over the last two decades, cryogenic microcalorimeters have found applications in various fields

• , for example, for the detection of dark matter, as single-photon detectors (X-ray, visible, and infrared ranges) [1], and the detection of individual excimers [2]. One of the new applications is the detection of the recoil energy of 4He atoms evaporated from a superfluid condensate (helium II). This

• based on a transition-edge sensor (TES) are the most common concept [5]. The developed detectors have an energy resolution of the order of a few electronvolts, which is insufficient for many important applications. At present, the work on increasing the sensitivity of TES-based microcalorimeters is

Hymenoptera and biomimetic surfaces: insights and innovations

• Vinicius Marques Lopez,
• Carlo Polidori and
• Rhainer Guillermo Ferreira

Beilstein J. Nanotechnol. 2024, 15, 1333–1352, doi:10.3762/bjnano.15.107

• surfaces. We highlight recent advancements and outline potential strategic pathways, evaluating their current functions and applications while suggesting promising avenues for further investigations. By studying these fascinating and biologically diverse insects, researchers could develop innovative

• also offers innovative solutions and technological applications. The order Hymenoptera, which includes sawflies, wasps, ants, and bees, is one of the most diverse groups in the class Insecta, with over 153,000 described species [5] and an estimated 1 million species yet to be discovered [6

• , scientists and engineers can develop innovative materials and devices that mirror the efficiency and functionality of Hymenopteran anatomy. Here we describe the structural adaptations on the surfaces of the body of Hymenoptera (Figure 2) with potential biomimetic applications. By analyzing their unique

Nanoarchitectonics with cetrimonium bromide on metal nanoparticles for linker-free detection of toxic metal ions and catalytic degradation of 4-nitrophenol

• Akash Kumar and
• Raja Gopal Rayavarapu

Beilstein J. Nanotechnol. 2024, 15, 1312–1332, doi:10.3762/bjnano.15.106

• +, Cr3+, and Hg2+ at 0.5 OD, while efficiently degrading 4-NP within 5 min at 1 OD. This study emphasizes the importance of tailoring parameters of CTAB-capped nanoparticles for specific sensing and catalytic applications, offering potential solutions for environmental remediation and human health

• protection. Keywords: catalysis; CTAB; heavy metal; nanoparticles; 4-nitrophenol; sensing; Introduction Metal nanoparticles are widely used for a great number of applications owing to their excellent optochemical properties and high surface-to-volume ratio in comparison to bulk materials. Noble metal (gold

• high strength to nanoparticles, the use of such nanoparticles is limited in sensing, catalysis, and biomedical applications because of post-synthesis functionalization, morphology, and toxicity [6][7][8]. CTAB is a resilient molecule on the nanoparticle surface because of its micellar structure and

Interaction of graphene oxide with tannic acid: computational modeling and toxicity mitigation in C. elegans

• Romana Petry,
• James M. de Almeida,
• Francine Côa,
• Felipe Crasto de Lima,
• Diego Stéfani T. Martinez and
• Adalberto Fazzio

Beilstein J. Nanotechnol. 2024, 15, 1297–1311, doi:10.3762/bjnano.15.105

• ; toxicity mitigation; Introduction Graphene oxide (GO) has many potential applications in electronics, advanced materials, bio-medicine, energy, agriculture, and environmental technology [1][2][3]. It consists of a graphene sheet with surface oxygen functional groups such as epoxide, ketone, hydroxy

• processes is missing. Tannic acid (TA) is an environmentally abundant and commercially available polyphenol with relevant industrial and technological applications [17][18][19][20]. TA’s structure comprises five digallic acid units ester-linked to a glucose core. These pyrogallol hydroxy groups participate

• characteristics made TA attractive to nanomaterial synthesis and functionalization for applications in nanomedicine, sensors, electronics, and composites [25][26][27]. In these different fields, TA has been applied in green alternative methods of GO synthesis and physicochemical modifications (e.g., reduction and

Mn-doped ZnO nanopowders prepared by sol–gel and microwave-assisted sol–gel methods and their photocatalytic properties

• Cristina Maria Vlăduț,
• Crina Anastasescu,
• Silviu Preda,
• Oana Catalina Mocioiu,
• Simona Petrescu,
• Jeanina Pandele-Cusu,
• Dana Culita,
• Veronica Bratan,
• Ioan Balint and
• Maria Zaharescu

Beilstein J. Nanotechnol. 2024, 15, 1283–1296, doi:10.3762/bjnano.15.104

• photocatalysts; water depollution; Introduction Over the past decades, significant research has been focused on designing and preparing nanostructures of various shapes and sizes, which exhibit unique properties and potential applications [1]. Considerable advancements have been made in synthesizing

• -efficient than conventional heating methods [12][13][14]. This approach is particularly advantageous in technology applications, as it significantly reduces reaction times from days to mere hours or minutes and enables the production of nanocrystalline oxides in the form of powders and films on various

• semiconductor with many versatile and attractive applications in optical, optoelectronic, and photocatalytic fields [35][36][37]. The doping of ZnO with Mn can lead to the development of multifunctional nanostructures, such as room-temperature ferromagnetic materials with potential applications in spintronics

New design of operational MEMS bridges for measurements of properties of FEBID-based nanostructures

• Bartosz Pruchnik,
• Krzysztof Kwoka,
• Ewelina Gacka,
• Dominik Badura,
• Piotr Kunicki,
• Andrzej Sierakowski,
• Paweł Janus,
• Tomasz Piasecki and
• Teodor Gotszalk

Beilstein J. Nanotechnol. 2024, 15, 1273–1282, doi:10.3762/bjnano.15.103

• resolution of actuation is limited by the background noise of 200 fm/Hz0.5), which is a promising feature for future applications of opMEMS as an experimental platform, for example, for studying quantum phenomena such as electron tunnelling or field emission, which are exponentially dependent on the distance

Functional morphology of cleaning devices in the damselfly Ischnura elegans (Odonata, Coenagrionidae)

• Silvana Piersanti,
• Gianandrea Salerno,
• Wencke Krings,
• Stanislav Gorb and
• Manuela Rebora

Beilstein J. Nanotechnol. 2024, 15, 1260–1272, doi:10.3762/bjnano.15.102

• increased inertia that counteracts the initially dominant adhesion, effectively dislodging attached pollen and dust. The same authors also developed an elastomeric bioinspired stiffness-gradient catapult and demonstrated its potential in practical applications, thus confirming that studies on the functional

The role of a tantalum interlayer in enhancing the properties of Fe₃O₄ thin films

• Hai Dang Ngo,
• Vo Doan Thanh Truong,
• Van Qui Le,
• Hoai Phuong Pham and
• Thi Kim Hang Pham

Beilstein J. Nanotechnol. 2024, 15, 1253–1259, doi:10.3762/bjnano.15.101

• promising applications. High-quality Fe3O4 thin films are a must to achieve the goals. In this report, Fe3O4 films on different substrates (SiO2/Si(100), MgO(100), and MgO/Ta/SiO2/Si(100)) were fabricated at room temperature with radio-frequency (RF) sputtering and annealed at 450 °C for 2 h. The

• K [1], as well as its high spin polarization with only one spin at the Fermi level, even at room temperature [2][3][4][5][6]. Fe3O4 thin films are an issue of interest and have extensive applications in Li-ion batteries, spin Seebeck devices, supercapacitors, spin Hall magnetoresistance, and the

Dual-functionalized architecture enables stable and tumor cell-specific SiO₂NPs in complex biological fluids

• Iris Renata Sousa Ribeiro,
• Raquel Frenedoso da Silva,
• Romênia Ramos Domingues,
• Adriana Franco Paes Leme and
• Mateus Borba Cardoso

Beilstein J. Nanotechnol. 2024, 15, 1238–1252, doi:10.3762/bjnano.15.100

• of pivotal relevance for obtaining more reliable results and open possibilities for developing NPs that are increasingly efficient and suitable for medical applications. Ensuring that a platform efficiently functions for in vitro assays is a crucial step in predicting in vivo effects. Our system

Enhanced catalytic reduction through in situ synthesized gold nanoparticles embedded in glucosamine/alginate nanocomposites

• Chi-Hien Dang,
• Le-Kim-Thuy Nguyen,
• Minh-Trong Tran,
• Van-Dung Le,
• Nguyen Minh Ty,
• T. Ngoc Han Pham,
• Hieu Vu-Quang,
• Tran Thi Kim Chi,
• Tran Thi Huong Giang,
• Nguyen Thi Thanh Tu and
• Thanh-Danh Nguyen

Beilstein J. Nanotechnol. 2024, 15, 1227–1237, doi:10.3762/bjnano.15.99

• nanocomposite as a versatile catalyst with promising applications across various industrial sectors. Keywords: catalysis; gold nanoparticles; organic dyes; organometallic nanocomposites; reduction; Introduction Gold nanoparticles (AuNPs) have garnered significant attention because of their exceptional

• physicochemical properties and diverse potential chemical applications [1][2][3]. The conventional synthesis of AuNPs typically involves the chemical reduction of Au3+ ions using various reducing agents and stabilizers [4][5]. However, many of these chemicals are highly reactive, posing risks to both the

• ) and the cross-linker [17]. These materials find wide applications in drug delivery [18] and the encapsulation of nanometals [19][20]. Reduction of metallic ions can be achieved using various agents, including plant extracts [21]. This reduction typically involves two steps, namely, the loading of

Realizing active targeting in cancer nanomedicine with ultrasmall nanoparticles

• André F. Lima,
• Giselle Z. Justo and
• Alioscka A. Sousa

Beilstein J. Nanotechnol. 2024, 15, 1208–1226, doi:10.3762/bjnano.15.98

• actively targeted usNPs, revealing increased tumor accumulation and retention compared to non-targeted counterparts. In this review, we explore actively targeted inorganic usNPs, highlighting their biological properties and behavior, along with applications in both preclinical and clinical settings

• modalities of actively targeted usNPs and their current applications in cancer diagnosis and treatment. 2 Inorganic ultrasmall NPs in cancer nanomedicine Important classes of inorganic usNPs under investigation for cancer nanomedicine include metallic usNPs (gold, silver), oxide and sulfide usNPs (silica

• function as a more conventional NP platform in nanomedicine applications [18][21][22][38][39][40]. In diagnostic applications, usNPs have been employed in diverse imaging modalities, including optical imaging [41][42], X-ray computer tomography [43], photoacoustic imaging [41][44], magnetic resonance

AI-assisted models to predict chemotherapy drugs modified with C₆₀ fullerene derivatives

• Jonathan-Siu-Loong Robles-Hernández,
• Dora Iliana Medina,
• Katerin Aguirre-Hurtado,
• Marlene Bosquez,
• Roberto Salcedo and
• Alan Miralrio

Beilstein J. Nanotechnol. 2024, 15, 1170–1188, doi:10.3762/bjnano.15.95

• , central nervous system and cardiac disorders, and autoimmune diseases [16]. In recent years, nanomaterials have attracted the attention of different scientific communities by providing them with new solutions for drug delivery [19][20]. These nanotechnological applications have made it possible to obtain

• is also possible to modify pristine fullerenes by adding polar functional groups (e.g., –COOH, –OH, or –NH2), to improve water solubility, antioxidant properties, and even biological activity [25]. For instance, polyhydroxy fullerenes (PHFs) exhibit properties suitable for biomedical applications

• obtaining an additional electron. Methods First, 42 drugs related to chemotherapy treatments for breast cancer were proposed. Although the most notable fullerene derivatives for biological applications are those with several hydrophilic groups, the carboxylic acid derivative C60–COOH has been studied as

Quantum-to-classical modeling of monolayer Ge₂Se₂ and its application in photovoltaic devices

• Anup Shrivastava,
• Shivani Saini,
• Dolly Kumari,
• Sanjai Singh and
• Jost Adam

Beilstein J. Nanotechnol. 2024, 15, 1153–1169, doi:10.3762/bjnano.15.94

• 2004, the unique properties of two-dimensional materials have sparked intense research interest regarding their use as alternative materials in various photonic applications. Transition metal dichalcogenide monolayers have been proposed as transport layers in photovoltaic cells, but the promising

• -scale production more feasible [9]. Also, the mechanical robustness and flexibility of the 2D materials will give extra room to design the PSCs for a wide range of applications areas [10]. The high carrier mobility and enhanced optoelectronic characteristics can improve the device performance of

• materials, rendering them viable for PV applications were discussed in [20]. Because of the advantages of 2D materials, tremendous efforts have been made to invent highly stable and efficient solar cells based on 2D materials. A number of remarkable works have been recently reported using numerous 2D

Introducing third-generation periodic table descriptors for nano-qRASTR modeling of zebrafish toxicity of metal oxide nanoparticles

• Supratik Kar and
• Siyun Yang

Beilstein J. Nanotechnol. 2024, 15, 1142–1152, doi:10.3762/bjnano.15.93

• development of nanotechnology, more and more MONPs including zinc, iron, titanium, and copper are being explored in therapeutic applications such as drug delivery, bioimaging, biosensing, bioelectronics, and tissue engineering applications [4][5][6]. Simultaneously, many of these particles also presented

• strong antibacterial, antifungal, antidiabetic, antioxidant, anticancer, and photocatalytic activities [7][8][9]. Besides the medical field, they are also commonly used in commercial products such as fuel cells and plastics, and environmental applications such as analysis, sensing, remediation, and

• newly created MONPs, particularly those used in biomedical applications, necessitates the implementation of safety-by-design strategies for these materials. The potential to lower development timeframes, costs associated with experiments, and late-stage attrition, in addition to ethical, societal, and