bluuebunny/crossref_metadata_2025 huggingface dataset:
Phase Equilibria of the In–Pd–Sn System at 500 °C and 800 °C: Experimental Study and CALPHAD Modeling
Authors: Pavlenko Alexandr S. , Kabanova Elizaveta G. , Kareva Maria A. , Ptashkina Evgeniya A. , Kustov Alexander L. , Zhmurko Galina P. , Kuznetsov Victor N.
Published: February 2023

Phase equilibria in the In–Pd–Sn system were investigated by a combination of key experiments and thermodynamic modeling. Partial isothermal sections at 500 °C and 800 °C of the In–Pd–Sn system for Pd contents above 66 at.% have been plotted experimentally using scanning electron microscopy with energy-dispersive X-ray spectroscopy (SEM/EDX) and X-ray diffraction (XRD). The solubility of the third component in binary compounds InPd3 and Pd3Sn was determined. The new ternary compound τ1 was found in Pd contents ranging from 20 to 25 at.% and at Sn contents varying from 5 to approximately 17 at.% Sn. This compound crystallizes in an Al3Ti-type tetragonal structure. Isostructural InPd2 and Pd2Sn phases from the In–Pd and Pd–Sn binary compositions form a continuous phase field in the ternary system at both temperatures. The temperatures of the solidus, liquidus, and phase transitions of the alloys along the Pd–In50Sn50 line were measured using DTA/DSC. Thermodynamic calculation of the In–Pd–Sn ternary system is performed using the CALPHAD method using the Thermo-Calc® software. The thermodynamic properties of the disordered fcc and liquid phases were described by the Redlich–Kister–Muggianu model. To describe intermetallic phases, namely, InPd3, Pd3Sn, τ1 and Pd2(InxSn1−x), a two-sublattice models was used. Thermodynamic description of the In–Pd–Sn system obtained in this study is in good agreement both with our results and the published experimental data
Effect of Annealing on the Magnetic Properties of Co2MnSi-Based Heusler Alloy Glass-Coated Microwires
Authors: Salaheldeen Mohamed , Ipatov Mihail , Corte-Leon Paula , Zhukova Valentina , Zhukov Arcady
Published: February 2023

In the current study, we concentrated on the influence of annealing on the magnetic behavior of Co2MnSi-based Heusler microwires. We set the annealing temperature at 1023 K for 2 h, as the sample did not show any significant changes in the magnetic properties at lower temperatures, while annealing at temperatures above 1023 K damages the glass coating. Strong in-plane magnetocrystalline anisotropy parallel to the microwire axis was evident in the magnetic behavior at room temperature for as-prepared and annealed samples. The coercivity of the annealed sample was four times higher than that of the as-prepared sample across a wide range of measuring temperatures. Both annealed and as-prepared samples exhibit quite stable coercivity behavior with temperature, which may have interesting applications. The an nealed sample did not exhibit magnetic saturation for M-H loops measured below 50 K. Sharp irreversible magnetic behavior has been detected for annealed samples at a blocking temperature of 220 K; at the same time, the blocking temperature for the as-prepared sample was 150 K. The strong internal mechanical stress induced during the fabrication of Co2MnSi microwires in addition to the internal stress relaxation caused by the annealing induced the onset of magnetic phases resulting in unusual and irreversible magnetic behavior.
Exploration of Blood Metabolite Signatures of Colorectal Cancer and Polyposis through Integrated Statistical and Network Analysis
Authors: Di Cesare Francesca , Vignoli Alessia , Luchinat Claudio , Tenori Leonardo , Saccenti Edoardo
Published: February 2023

Colorectal cancer (CRC), one of the most prevalent and deadly cancers worldwide, generally evolves from adenomatous polyps. The understanding of the molecular mechanisms underlying this pathological evolution is crucial for diagnostic and prognostic purposes. Integrative systems biology approaches offer an optimal point of view to analyze CRC and patients with polyposis. The present study analyzed the association networks constructed from a publicly available array of 113 serum metabolites measured on a cohort of 234 subjects from three groups (66 CRC patients, 76 patients with polyposis, and 92 healthy controls), which concentrations were obtained via targeted liquid chromatography-tandem mass spectrometry. In terms of architecture, topology, and connectivity, the metabolite-metabolite association network of CRC patients appears to be completely different with respect to patients with polyposis and healthy controls. The most relevant nodes in the CRC network are those related to energy metabolism. Interestingly, phenylalanine, tyrosine, and tryptophan metabolism are found to be involved in both CRC and polyposis. Our results demonstrate that the characterization of metabolite–metabolite association networks is a promising and powerful tool to investigate molecular aspects of CRC.
A Novel Low-Cost Compact High-Performance Flower-Shaped Radiator Design for Modern Smartphone Applications
Authors: Dayo Zaheer Ahmed , Aamir Muhammad , Rahman Ziaur , Khoso Imran A. , Lodro Mir Muhammad , Dayo Shoaib Ahmed , Soothar Permanand , Pathan Muhammad Salman , Al-Gburi Ahmed Jamal Abdullah , Memon Aftab Ahmed , Chowdhry Bhawani Shankar
Published: February 2023

This manuscript examines the design principle and real-world validation of a new miniaturized high-performance flower-shaped radiator (FSR). The antenna prototype consists of an ultracompact square metallic patch of 0.116λ0 × 0.116λ0 (λ0 is the free space wavelength at 3.67 GHz), a rectangular microstrip feed network, and a partial metal ground plane. A novel, effective, and efficient approach based on open circuit loaded stubs is employed to achieve the antenna’s optimal performance features. Rectangular, triangular, and circular disc stubs were added to the simple structure of the square radiator, and hence, the FSR configuration was formed. The proposed antenna was imprinted on a low-cost F4B laminate with low profile thickness of 0.018λ0, relative permittivity εr = 2.55, and dielectric loss tangent δ = 0.0018. The designed radiator has an overall small size of 0.256λ0 × 0.354λ0. The parameter study of multiple variables and their influence on the performance results has been extensively studied. Moreover, the impact of different substrate materials, impedance bandwidths, resonance tuning, and impedance matching has also been analyzed. The proposed antenna model has been designed, simulated, and fabricated. The designed antenna exhibits a wide bandwidth of 5.33 GHz ranging from 3.67 to 9.0 GHz at 10 dB return loss, which resulted in an 83.6% fractional impedance bandwidth; a maximum gain of 7.3 dBi at 8.625 GHz; optimal radiation efficiency of 89% at 4.5 GHz; strong intensity current flow across the radiator; and stable monopole-like far-field radiation patterns. Finally, a comparison between the scientific results and newly published research has been provided. The antenna’s high-performance simulated and measured results are in a good agreement; hence, they make the proposed antenna an excellent choice for modern smartphones’ connectivity with the sub-6 GHz frequency spectrum of modern fifth-generation (5G) mobile communication application.
Patient-Specific 3D-Printed Low-Cost Models in Medical Education and Clinical Practice
Authors: Sun Zhonghua , Wong Yin How , Yeong Chai Hong
Published: February 2023

3D printing has been increasingly used for medical applications with studies reporting its value, ranging from medical education to pre-surgical planning and simulation, assisting doctor–patient communication or communication with clinicians, and the development of optimal computed tomography (CT) imaging protocols. This article presents our experience of utilising a 3D-printing facility to print a range of patient-specific low-cost models for medical applications. These models include personalized models in cardiovascular disease (from congenital heart disease to aortic aneurysm, aortic dissection and coronary artery disease) and tumours (lung cancer, pancreatic cancer and biliary disease) based on CT data. Furthermore, we designed and developed novel 3D-printed models, including a 3D-printed breast model for the simulation of breast cancer magnetic resonance imaging (MRI), and calcified coronary plaques for the simulation of extensive calcifications in the coronary arteries. Most of these 3D-printed models were scanned with CT (except for the breast model which was scanned using MRI) for investigation of their educational and clinical value, with promising results achieved. The models were confirmed to be highly accurate in replicating both anatomy and pathology in different body regions with affordable costs. Our experience of producing low-cost and affordable 3D-printed models highlights the feasibility of utilizing 3D-printing technology in medical education and clinical practice.
A Broadband Vortex Beam Generator Based on Single-Layer Hybrid Phase-Turning Metasurface
Authors: Fu Cheng , Zhao Jianing , Li Fang , Li Hao
Published: February 2023

Vortex beams carrying orbital angular momentum (OAM) have become a research frontier due to the prospect of improving spectral efficiency and transmission capacity in communication systems. In this work, a hybrid phase-turning meta-atom that combines resonance and geometric (Pancharatnam-Berry) phase modulation is used to form a single-layer metasurface. A linearly polarized broadband vortex beam of mode l = −1 is obtained by the metasurface. An experimental prototype of the vortex beam generator has been fabricated and measured. The simulated and measured results demonstrate that the whole vortex beam generator exhibits over 70% mode purity from 26.5 GHz to 40 GHz (the relative bandwidth is 38.57%). In addition, a wide 3 dB gain bandwidth and low crosstalk are also provided by the proposed generator. This indicates that the proposed generator has important application value for vortex beam communication and its related applications.
Legionella pneumophila Infections during a 7-Year Retrospective Analysis (2016–2022): Epidemiological, Clinical Features and Outcomes in Patients with Legionnaires’ Disease
Authors: Lupia Tommaso , Corcione Silvia , Shbaklo Nour , Rizzello Barbara , De Benedetto Ilaria , Concialdi Erika , Navazio Anna Sara , Penna Maurizio , Brusa Maria Teresa , De Rosa Francesco Giuseppe
Published: February 2023

Legionella pneumophila (LP) is one of the main causative agents of community-acquired pneumonia in Europe and its fifth bacterial cause in Italy (4.9%). We conducted a seven year retrospective analysis of LP infection serogroup 1 in Asti, Piedmont, between 2016 and 2022. Patients were included if they tested positive for the Legionella urinary antigen. Clinical, laboratory, and radiologic data were analyzed to describe the risk factors for mortality. Fifty patients with LD were collected, mainly male, with a median age of 69 years. The main comorbidities were cardiovascular diseases (50%), pulmonary diseases (26%), and neurological diseases (12%). The most common clinical presentations were fever, respiratory, gastrointestinal, and neurologic symptoms. Older age (p = 0.004), underlying cardiovascular diseases (p = 0.009), late diagnosis at admission (p = 0.035), and neurological symptoms at diagnosis (p = 0.046) were more common in the non-survivor group. Moreover, a septic-shock presentation or the need for non-invasive ventilation at admission were associated with a higher mortality. No considerable differences in the biochemical data were found between the two groups except for the median neutrophil count, lymphocyte count, neutrophil-to-lymphocyte ratio, and PCT value. We did not find any differences in mortality related to the choice of antibiotic regimen. Differences in outcome were associated with the median duration of treatment (p =< 0.001) but not to the choice of antibiotic regimen (mainly levofloxacin or azithromycin). In conclusion, early individuation of the wide spectrum of clinical characteristics of LP infection such as respiratory, cardiac, and neurological manifestations of the patient’s comorbidities, and significant biochemical data should help clinicians flag high risk patients and potentially improve their outcome.
Gut Microbiota Composition Changes following Discontinuation of Exclusive Enteral Nutrition in Children with Crohn’s Disease
Authors: Sila Sara , Jelić Marko , Trivić Ivana , Tambić Andrašević Arjana , Kolaček Sanja , Hojsak Iva
Published: February 2023

This study aims to determine changes in the intestinal microbiota of children with Crohn’s disease (CD) before and during exclusive enteral nutrition (EEN) and after its discontinuation. A total of 14 newly diagnosed children with CD (median age 16.0 years; 43% female) were included in this study. Patients were initially treated with EEN and were followed for one year after EEN discontinuation. Stool samples were taken at the time of diagnosis (before EEN introduction), the second day of EEN, the last day of EEN, and every two months for one year after the discontinuation of EEN. A molecular approach targeting 16S ribosomal RNA was used for analysing the gut microbiota. No change was found in the Shannon diversity index before, during, and after EEN cessation (HhaI-digestion p = 0.82; MspI-digestion p = 0.87). According to the PCO, on the basis of the dissimilarity matrices of OTUs, a clear separation of patients at different time points, forming two clusters (before and during EEN as opposed to after EEN), was evident. No clear separation was noted between patients who achieved sustained remission as opposed to those who did not achieve sustained remission during EEN and at the follow-up. In conclusion, a distinct change in the microbiota composition already occurred after two months of EEN discontinuation and remained mostly unchanged over a year of follow-up.
Short Course of Antibiotic Therapy for Gram-Negative Bacilli Bacteremia in Patients with Cancer and Hematopoietic Stem Cell Transplantation: Less Is Possible
Authors: Herrera Fabián , Torres Diego , Carena Alberto , Nicola Federico , Rearte Andrés , Temporiti Elena , Jorge Laura , Valentini Ricardo , Bues Florencia , Relloso Silvia , Bonvehí Pablo
Published: February 2023

Data about short courses of antibiotic therapy for Gram-negative bacilli (GNB) bacteremia in immunosuppressed patients are limited. This is a prospective observational study performed on adult patients with cancer and hematopoietic stem cell transplant (HSCT) who developed GNB bacteremia and received appropriate empirical antibiotic therapy (EAT), had a clinical response within 7 days and survived 48 h after the end of therapy. They received antibiotic therapy in the range of 7–15 days and were divided into short course, with a median of 7 days (SC), or long course, with a median of 14 days (LC). Seventy-four patients were included (SC: 36 and LC: 38). No differences were observed in baseline characteristics or in the presence of neutropenia: 58.3% vs. 60.5% (p = 0.84). Clinical presentation and microbiological characteristics were similar in SC and LC, respectively: clinical source of bacteremia 72.2% vs. 76.3% (p = 0.68); shock 2.8% vs. 10.5% (p = 0.35) and multidrug-resistant GNB 27.8% vs. 21.1% (p = 0.50). Overall, mortality was 2.8% vs. 7.9% (p = 0.61), and bacteremia relapse was 2.8% vs. 0 (p = 0.30). The length of hospitalization since bacteremia was 7 days (interquartile range (IQR), 6–15) for SC and 12 days (IQR, 7–19) (p = 0.021) for LC. In the case of patients with cancer or HSCT and GNB bacteremia who receive appropriate EAT with clinical response, 7 days of antibiotic therapy might be adequate.
A Prediction Method of Compacted Rock Hydraulic Permeability Based on the MGEMTIP Model
Authors: Tong Xiaolong , Yan Liangjun , Xiang Kui
Published: February 2023

The permeability of the fluid-bearing rock is an important parameter for reservoir prediction. The Kozeny-Carman (K-C) formulation based on electrical measurements effectively characterizes the permeability-resistivity relationship of rocks with a single mineral composition or high porosity. The complex pore structure and mineral composition of compacted reservoirs affect induced polarization (IP) characteristics, indirectly limiting the applicability of conventional electrical K-C models. The permeability of fluid-bearing rocks is an important parameter for reservoir prediction. The theoretical chargeability of the modified generalized effective medium theory of induced polarization (MGEMTIP) model includes the effects of various conductive minerals. Due to the disconnection assumption of the disturbed medium in the MGEMTIP, there is a significant difference between the theoretical chargeability and the measured chargeability, and the difference is a sensitive parameter of rock permeability. A semi-empirical reservoir permeability prediction model is proposed based on the MGEMTIP. Theoretically and experimentally, the prediction model based on MGEMTIP is compared with the two electrical K-C models. Under the condition that the rock does not contain low-resistivity minerals, the prediction model based on MGEMTIP is theoretically equivalent to the K-C model. The experimental results show that this prediction model is more suitable for low-porosity and low-permeability rocks containing low-resistivity minerals, and the prediction results can be effectively restricted to the same order of magnitude. From the perspective of differences between model assumptions and natural rocks, the prediction model provides a semi-empirical relationship between complex mineral IP characteristics and permeability. Combined with the geological information of the survey area, the permeability prediction model can provide a theoretical basis for reservoir permeability prediction based on electromagnetic exploration.
Review of Non-Destructive Methods for Rock Bolts Condition Evaluation
Authors: Lama Biraj , Momayez Moe
Published: February 2023

Rock bolts are one of the most effective and conventional support techniques widely used in underground mining and tunneling operations to stabilize excavations and jointed rock masses. External factors such as corrosion, overloading, and improper installation can weaken rock bolts, which could result in ground failure causing injury or loss of life and production. Monitoring the health condition of rock bolts will reduce the risk of accidents providing a safer environment for workers and equipment. This paper reviews monitoring methods currently used to assess the condition of installed rock bolts. Furthermore, we classify the surveyed techniques depending on the type of problems they attempt to solve. Presented are methods such as ultrasonics, fiber optics, piezoelectric, electromagnetics, impact echo, acoustic emission, and numerical algorithms. Each method is based on a unique physical principle that aids in evaluating corrosion and strain levels in the rock bolt. However, recent research to detect corrosion has primarily focused on rebar type of rock bolts used in concrete structures. Consequently, more research is needed to monitor the condition of the other types of rock bolts used in the industry such as cable bolts and split set bolts. In conclusion, the paper highlights various methods of studying rock bolt failure initiated by strain, corrosion, and improper installation of the grouts. It also explores the research advancement made for the study of rock bolt failure. This investigation is specifically beneficial to the mining and tunneling industry for better understanding and prediction of rock bolt failure.
A Stable PDLC Film with High Ageing Resistance from an Optimized System Containing Rigid Monomer
Authors: Chen Hongren , Wang Xiao , Xu Jianjun , Hu Wei , Yu Meina , Zhang Lanying , Jiang Yong , Yang Huai
Published: February 2023

With the switchability between transparent and light-scattering states, polymer-dispersed liquid crystals (PDLC) are widely used as smart windows, flexible display devices, projectors, and other devices. In outdoor applications, in addition to excellent electro-optical properties, there is also a high demand for film stability. In this work, a PDLC film with high mechanical strength and structural stability is prepared that can maintain stability at 80 °C for 2000 h. By choosing liquid crystals with a wide temperature range, adopting acrylate polymer monomers containing hydroxyl groups, and adjusting the polymer content, the PDLC film can work well from −20 °C to 80 °C. On this basis, the effects of the introduction of rigid monomers on the mechanical properties and electro-optical properties of PDLC films are investigated.
A 12-Connected [Y4((μ3-OH)4]8+ Cluster-Based Luminescent Metal-Organic Framework for Selective Turn-on Detection of F− in H2O
Authors: Li Juan , Wang Airong , Qiu Shiming , Wang Xiaoli , Li Jiaming
Published: February 2023

Fluoride ion (F−) is one of the most hazardous elements in potable water. Over intake of F− can give rise to dental fluorosis, kidney failure, or DNA damage. As a result, developing affordable, equipment-free and credible approaches for F− detection is an important task. In this work, a new three dimensional rare earth cluster-based metal-organic framework assembled from lanthanide Y(III) ion, and a linear multifunctional ligand 3-nitro-4,4′-biphenyldicarboxylic acid, formulated as {[Y(μ3-OH)]4[Y(μ3-OH)(μ2-H2O)0.25(H2O)0.5]4[μ4-nba]8}n (1), where H2nba = 3-nitro-4,4′-biphenyldicarboxylic acid, has been hydrothermally synthesized and characterized through infrared spectroscopy (IR), elemental and thermal analysis (EA), power X-ray diffraction (PXRD), and single-crystal X-ray diffraction (SCXRD) analyses. X-ray diffraction structural analysis revealed that 1 crystallizes in tetragonal system with P4¯21m space group, and features a 3D framework with 1D square 18.07(3)2 Å2 channels running along the [0,0,1] or c-axis direction. The structure of 1 is built up of unusual eight-membered rings formed by two types of {Y4O4} clusters connected to each other via 12 μ4-nba2− and 4 μ3-OH− ligands. Three crystallographic independent Y3+ ions display two coordinated configurations with a seven-coordinated distorted monocapped trigonal-prism (YO7) and an eight-coordinated approximately bicapped trigonal-prism (YO8). 1 is further stabilized through O-H⋯O, O-H⋯N, C-H⋯O, and π⋯π interactions. Topologically, MOF 1 can be simplified as a 12-connected 2-nodal Au4Ho topology with a Schläfli symbol {420·628·818}{43}4 or a 6-connected uninodal pcu topology with a Schläfli symbol {412·63}. The fluorescent sensing application of 1 was investigated to cations and anions in H2O. 1 exhibits good luminescence probing turn-on recognition ability toward F− and with a limit detection concentration of F− down to 14.2 μM in aqueous solution (Kec = 11403 M−1, R2 = 0.99289, σ = 0.0539). The findings here provide a feasible detection platform of LnMOFs for highly sensitive discrimination of F− in aqueous media.
Ratiometric Near-Infrared Fluorescence Liposome Nanoprobe for H2S Detection In Vivo
Authors: Wu Luyan , Liu Yili , Zhang Junya , Miao Yinxing , An Ruibing
Published: February 2023

Accurate detection of H2S is crucial to understanding the occurrence and development of H2S-related diseases. However, the accurate and sensitive detection of H2S in vivo still faces great challenges due to the characteristics of H2S diffusion and short half-life. Herein, we report a H2S-activatable ratiometric near-infrared (NIR) fluorescence liposome nanoprobe HS-CG by the thin-film hydration method. HS-CG shows “always on” fluorescence signal at 816 nm and low fluorescence signal at 728 nm; the NIR fluorescence ratio between 728 and 816 nm (F728/F816) is low. Upon reaction with H2S, the fluorescence at 728 nm could be more rapidly turned on due to strong electrostatic interaction between enriched HS− and positively charged 1,2-dihexadecanoyl-sn-glycero-3-phosphocholine (DPPC) doped in the liposome nanoprobe HS-CG, resulting in a large enhancement of F728/F816, which allows for sensitive visualization of the tumor H2S levels in vivo. This study demonstrates that this strategy of electrostatic adsorption between HS− and positively charged molecules provides a new way to enhance the reaction rate of the probe and H2S, thus serving as an effective platform for improving the sensitivity of imaging.
Two Fast GC-MS Methods for the Measurement of Nicotine, Propylene Glycol, Vegetable Glycol, Ethylmaltol, Diacetyl, and Acetylpropionyl in Refill Liquids for E-Cigarettes
Authors: Dagla Ioanna , Gikas Evagelos , Tsarbopoulos Anthony
Published: February 2023

The use of e-cigarettes (ECs) has become increasingly popular worldwide, even though scientific results have not established their safety. Diacetyl (DA) and acetylpropionyl (AP), which can be present in ECs, are linked with lung diseases. Ethyl maltol (EM)—the most commonly used flavoring agent—can be present in toxic concentrations. Until now, there is no methodology for the determination of nicotine, propylene glycol (PG), vegetable glycerin (VG), EM, DA, and acetylpropionyl in e-liquids that can be used as a quality control procedure. Herein, gas chromatography coupled with mass spectrometry (GC-MS) was applied for the development of analytical methodologies for these substances. Two GC-MS methodologies were developed and fully validated, fulfilling the standards for the integration in a routine quality control procedure by manufacturers. As proof of applicability, the methodology was applied for the analysis of several e-liquids. Differences were observed between the labeled and the experimental levels of PG, VG, and nicotine. Three samples contained EM at higher concentrations compared to the other samples, while only one contained DA. These validated methodologies can be used for the quality control analysis of EC liquid samples regarding nicotine, PG, and VG amounts, as well as for the measurement of the EM.
Molecular Engineering of Near-Infrared Fluorescent Probes for Cell Membrane Imaging
Authors: Xu Shuai , Pan Wenjing , Song Zhi-Ling , Yuan Lin
Published: February 2023

Cell membrane (CM) is a phospholipid bilayer that maintains integrity of a whole cell and relates to many physiological and pathological processes. Developing CM imaging tools is a feasible method for visualizing membrane-related events. In recent decades, small-molecular fluorescent probes in the near-infrared (NIR) region have been pursued extensively for CM staining to investigate its functions and related events. In this review, we summarize development of such probes from the aspect of design principles, CM-targeting mechanisms and biological applications. Moreover, at the end of this review, the challenges and future research directions in designing NIR CM-targeting probes are discussed. This review indicates that more efforts are required to design activatable NIR CM-targeting probes, easily prepared and biocompatible probes with long retention time regarding CM, super-resolution imaging probes for monitoring CM nanoscale organization and multifunctional probes with imaging and phototherapy effects.
Uniaxial Strain Dependence on Angle-Resolved Optical Second Harmonic Generation from a Few Layers of Indium Selenide
Authors: Li Zi-Yi , Cheng Hao-Yu , Kung Sheng-Hsun , Yao Hsuan-Chun , Inbaraj Christy Roshini Paul , Sankar Raman , Ou Min-Nan , Chen Yang-Fang , Lee Chi-Cheng , Lin Kung-Hsuan
Published: February 2023

Indium selenide (InSe) is an emerging van der Waals material, which exhibits the potential to serve in excellent electronic and optoelectronic devices. One of the advantages of layered materials is their application to flexible devices. How strain alters the electronic and optical properties is, thus, an important issue. In this work, we experimentally measured the strain dependence on the angle-resolved second harmonic generation (SHG) pattern of a few layers of InSe. We used the exfoliation method to fabricate InSe flakes and measured the SHG images of the flakes with different azimuthal angles. We found the SHG intensity of InSe decreased, while the compressive strain increased. Through first–principles electronic structure calculations, we investigated the strain dependence on SHG susceptibilities and the corresponding angle-resolved SHG pattern. The experimental data could be fitted well by the calculated results using only a fitting parameter. The demonstrated method based on first–principles in this work can be used to quantitatively model the strain-induced angle-resolved SHG patterns in 2D materials. Our obtained results are very useful for the exploration of the physical properties of flexible devices based on 2D materials.
A Simple Method for the Synthesis of a Coral-like Boron Nitride Micro-/Nanostructure Catalyzed by Fe
Authors: Li Yanjiao , Wang Xueren , Wang Jian , Wang Xinfeng , Zeng Dejun
Published: February 2023

Catalyzed by Fe, novel a coral-like boron nitride (BN) micro-/nanostructure was synthesized from B2O3 by a ball milling and annealing process. Observations of the morphology of the product indicated that the coral-like BN micro-/nanostructure consists of a bamboo-shaped nanotube stem and dense h-BN nanoflakes growing outward on the surface of the nanotube. Experimental results showed that the morphology of the BN nanotube was greatly dependent on the anneal process parameters. With the annealing time increasing from 0.5 h to 4 h, the morphology developed from smooth BN nanotubes, with a diameter size of around 100 nm, to rough, coral-like boron nitride with a large diameter of 3.6 μm. The formation mechanism of this coral-like BN micro-/nanostructure is a two-stage growth process: bamboo-shaped BN nanotubes are first generated through a vapor–liquid–solid (VLS) mechanism and then nanoflakes grow surrounding the surface of the nanotube. Acid pickling and a hydrolysis process were carried out to remove Fe, iron nitrogen and unreacted B2O3 impurities.
Integrated Optical Filters with Hyperbolic Metamaterials
Authors: Abdulkareem Mas-ud A. , López-Rayón Fernando , Sosa-Sánchez Citlalli T. , Bautista González Ramsés E. , Arroyo Carrasco Maximino L. , Peña-Gomar Marycarmen , Coello Victor , Téllez-Limón Ricardo
Published: February 2023

The growing development of nanotechnology requires the design of new devices that integrate different functionalities at a reduced scale. For on-chip applications such as optical communications or biosensing, it is necessary to selectively transmit a portion of the electromagnetic spectrum. This function is performed by the so-called band-pass filters. While several plasmonic nanostructures of complex fabrication integrated to optical waveguides have been proposed, hyperbolic metamaterials remain almost unexplored for the design of integrated band-pass filters at optical wavelengths. By making use of the effective medium theory and finite integration technique, in this contribution we numerically study an integrated device consisting of a one-dimensional hyperbolic metamaterial placed on top of a photonic waveguide. The results show that the filling fraction, period, and number of layers modify the spectral response of the device, but not for type II and effective metal metamaterials. For the proposed Au-TiO2 multilayered system, the filter operates at a wavelength of 760 nm, spectral bandwidth of 100 nm and transmission efficiency above 40%. The designed devices open new perspectives for the development of integrated band-pass filters of small scale for on-chip integrated optics applications.
A Comprehensive Review of Health-Benefiting Components in Rapeseed Oil
Authors: Shen Junjun , Liu Yejia , Wang Xiaoling , Bai Jie , Lin Lizhong , Luo Feijun , Zhong Haiyan
Published: February 2023

Rapeseed oil is the third most consumed culinary oil in the world. It is well-known for its high content of unsaturated fatty acids, especially polyunsaturated fatty acids, which make it of great nutritional value. There is increasing evidence that a diet rich in unsaturated fatty acids offers health benefits. Although the consumption of rapeseed oil cuts across many areas around the world, the nutritional elements of rapeseed oil and the exact efficacy of the nutrients remain unclear. In this review, we systematically summarized the latest studies on functional rapeseed components to ascertain which component of canola oil contributes to its function. Apart from unsaturated fatty acids, there are nine functional components in rapeseed oil that contribute to its anti-microbial, anti-inflammatory, anti-obesity, anti-diabetic, anti-cancer, neuroprotective, and cardioprotective, among others. These nine functional components are vitamin E, flavonoids, squalene, carotenoids, glucoraphanin, indole-3-Carbinol, sterols, phospholipids, and ferulic acid, which themselves or their derivatives have health-benefiting properties. This review sheds light on the health-benefiting effects of rapeseed oil in the hope of further development of functional foods from rapeseed.
Assessing the Highest Level of Evidence from Randomized Controlled Trials in Omega-3 Research
Authors: Sahye-Pudaruth Sandhya , Ma David W. L.
Published: February 2023

Over the years, there has been heightened interest in the health benefits of n-3 polyunsaturated fatty acids (PUFA) in reducing chronic diseases such as, cardiovascular disease (CVD), cancer, type 2 diabetes, and acute macular degeneration (AMD). Due to inconsistent findings in the evidence, a review to critically examine the plethora of evidence from randomized controlled trials (RCTs) in n-3 PUFA research was undertaken. The aim of this review is to study the highest level of evidence and to identify gaps in n-3 PUFA research. RCTs were originally designed for pharmaceutical research and later adopted for nutrition and food-related research. RCTs with active diseases assume that n-3 PUFA will have “drug” like effects, and this high expectation may have led to the inconsistent evidence in the literature. The inconsistency in the literature may be related to varying doses of n-3 PUFA, sources of n-3 PUFA (food vs. supplement; plant vs. marine), type of n-3 PUFA (mixture vs. purified), trial duration, population characteristics, sample size, and genetic variation. For future research, there is a need to distinguish between primary and secondary prevention, and to focus RCTs on primary prevention of chronic diseases by n-3 PUFA which is lacking in the literature.
An Evaluation of the Implementation of the European Calcified Tissue Society Recommendations on the Prevention and Treatment of Osteoporosis Secondary to Bariatric Surgery
Authors: Courtalin Marion , Verkindt Hélène , Oukhouya Daoud Naima , Ramdane Nassima , Cortet Bernard , Pattou François , Paccou Julien
Published: February 2023

The purpose of this study was to evaluate the implementation of the European Calcified Tissue Society (ECTS) 2022 recommendations on the prevention and treatment of osteoporosis secondary to bariatric surgery. The ECTS 2022 recommendations were applied in a retrospective cohort of postmenopausal women and men aged 50 years and older who were undergoing or had already undergone bariatric surgery. Osteoporosis medication was indicated if any of the following criteria were met: (i) history of recent (within 2 years) fragility fracture after the age of 40 years, (ii) BMD T score ≤ −2 at any of the sites of measurement, and (iii) FRAX® ≥ 20% for major osteoporotic fractures and/or ≥3% for hip fractures. Of the 170 patients (144 women, mean age 59 (55 to 63) years) included between February 2019 and March 2022, 33 were eligible for osteoporosis medication based on the ECTS 2022 recommendations, i.e., a prevalence of 19.6% [CI95%: 13.9%; 26.5%]. Most patients met the BMD T score ≤−2 criterion (n = 25/170, 14.7% [CI95%: 9.7%; 20.9%]) and/or the history of recent fragility fracture criterion (n = 12/170, 7.1% [CI95%: 3.7%; 12.0%]). In this study, a fifth of our population was found to be eligible for osteoporosis medication after the application of the ECTS 2022 recommendations.
Conventional and PEGylated Liposomes as Vehicles of Copaifera sabulicola
Authors: Blanco Ian M. R. , Barbosa Raquel de Melo , Borges Julita M. P. , de Melo Silvio A. B. Vieira , El-Bachá Ramon dos Santos , Viseras César , Severino Patricia , Sanchez-Lopez Elena , Souto Eliana B. , Cabral-Albuquerque Elaine
Published: February 2023

Traditional medicine uses resin oils extracted from plants of the genus Copaifera for several purposes. Resin oils are being studied to understand and profile their pharmacological properties. The aim of this work was to prepare and to characterize conventional and pegylated liposomes incorporating resin oils or the hexanic extract obtained from Copaifera sabulicola (copaiba) leaves. The cytotoxic effect of these products was also investigated. Conventional and stealth liposomes with copaiba extract showed similar average diameters (around 126 nm), encapsulation efficiencies greater than 75% and were stable for 90 days. A cytotoxicity test was performed on murine glioma cells and the developed liposomes presented antiproliferative action against these cancer cells at the average concentration of 30 μg/mL. Phytochemicals encapsulated in PEGylated liposomes induced greater reduction in the viability of tumor cells. In addition, bioassay-s measured the cytotoxicity of copaiba resin oil (Copaifera sabulicola) in liposomes (conventional and PEGylated), which was also checked against pheochromocytoma PC12 cells. Its safety was verified in normal rat astrocytes. The results indicate that liposomes encapsulating copaiba oil showed cytotoxic activity against the studied tumor strains in a dose-dependent fashion, demonstrating their potential applications as a chemotherapeutic bioactive formulation.
Inhibition of Hepatitis B Virus (HBV) by Tachyplesin, a Marine Antimicrobial Cell-Penetrating Peptide
Authors: Narula Pankhuri , Kiruthika Sankar , Chowdhari Shruti , Vivekanandan Perumal , Chugh Archana
Published: February 2023

We investigate the role of Tachyplesin (Tpl), a marine antimicrobial cell-penetrating peptide, as an anti-HBV agent. Our findings, using confocal microscopy and flow cytometry, demonstrate the internalization of FITC-Tpl in both Huh7 and HepG2 cell lines. Further, our results show that Tpl inhibits the expression of HBV proteins, including hepatitis B surface antigen (HBsAg) and hepatitis B ‘e’ antigen (HBeAg) in cell supernatants of human liver cell lines transfected with 1.3× pHBV. Interestingly Tpl also reduces levels of HBV pre-core RNA and HBV pregenomic RNA, suggesting that Tpl-mediated inhibition occurs at the early stages of HBV replication, including viral transcription. In addition, Tpl led to a significant reduction in levels of hepatitis B virion secretion. In sum, here we demonstrate the potent anti-HBV activity of Tpl at non-cytotoxic concentrations indicating the potential of Tpl to emerge as an effective therapeutic peptide against HBV.
DoubleSG-DTA: Deep Learning for Drug Discovery: Case Study on the Non-Small Cell Lung Cancer with EGFRT790M Mutation
Authors: Qian Yongtao , Ni Wanxing , Xianyu Xingxing , Tao Liang , Wang Qin
Published: February 2023

Drug–targeted therapies are promising approaches to treating tumors, and research on receptor–ligand interactions for discovering high-affinity targeted drugs has been accelerating drug development. This study presents a mechanism-driven deep learning-based computational model to learn double drug sequences, protein sequences, and drug graphs to project drug–target affinities (DTAs), which was termed the DoubleSG-DTA. We deployed lightweight graph isomorphism networks to aggregate drug graph representations and discriminate between molecular structures, and stacked multilayer squeeze-and-excitation networks to selectively enhance spatial features of drug and protein sequences. What is more, cross-multi-head attentions were constructed to further model the non-covalent molecular docking behavior. The multiple cross-validation experimental evaluations on various datasets indicated that DoubleSG-DTA consistently outperformed all previously reported works. To showcase the value of DoubleSG-DTA, we applied it to generate promising hit compounds of Non-Small Cell Lung Cancer harboring EGFRT790M mutation from natural products, which were consistent with reported laboratory studies. Afterward, we further investigated the interpretability of the graph-based “black box” model and highlighted the active structures that contributed the most. DoubleSG-DTA thus provides a powerful and interpretable framework that extrapolates for potential chemicals to modulate the systemic response to disease.
Influence of the Fatty Acid Metabolism on the Mode of Action of a Cisplatin(IV) Complex with Phenylbutyrate as Axial Ligands
Authors: Mendrina Theresa , Poetsch Isabella , Schueffl Hemma , Baier Dina , Pirker Christine , Ries Alexander , Keppler Bernhard K. , Kowol Christian R. , Gibson Dan , Grusch Michael , Berger Walter , Heffeter Petra
Published: February 2023

For a variety of cancer types, platinum compounds are still among the best treatment options. However, their application is limited by side effects and drug resistance. Consequently, multi-targeted platinum(IV) prodrugs that target specific traits of the malignant tissue are interesting new candidates. Recently, cisPt(PhB)2 was synthesized which, upon reduction in the malignant tissue, releases phenylbutyrate (PhB), a metabolically active fatty acid analog, in addition to cisplatin. In this study, we in-depth investigated the anticancer properties of this new complex in cell culture and in mouse allograft experiments. CisPt(PhB)2 showed a distinctly improved anticancer activity compared to cisplatin as well as to PhB alone and was able to overcome various frequently occurring drug resistance mechanisms. Furthermore, we observed that differences in the cellular fatty acid metabolism and mitochondrial activity distinctly impacted the drug’s mode of action. Subsequent analyses revealed that “Warburg-like” cells, which are characterized by deficient mitochondrial function and fatty acid catabolism, are less capable of coping with cisPt(PhB)2 leading to rapid induction of a non-apoptotic form of cell death. Summarizing, cisPt(PhB)2 is a new orally applicable platinum(IV) prodrug with promising activity especially against cisplatin-resistant cancer cells with “Warburg-like” properties.
Nanosystems for Brain Targeting of Antipsychotic Drugs: An Update on the Most Promising Nanocarriers for Increased Bioavailability and Therapeutic Efficacy
Authors: Ferreira Maria Daniela , Duarte Joana , Veiga Francisco , Paiva-Santos Ana Cláudia , Pires Patrícia C.
Published: February 2023

Orally administered antipsychotic drugs are the first-line treatment for psychotic disorders, such as schizophrenia and bipolar disorder. Nevertheless, adverse drug reactions jeopardize clinical outcomes, resulting in patient non-compliance. The design formulation strategies for enhancing brain drug delivery has been a major challenge, mainly due to the restrictive properties of the blood–brain barrier. However, recent pharmacokinetic and pharmacodynamic in vivo assays confirmed the advantage of the intranasal route when compared to oral and intravenous administration, as it allows direct nose-to-brain drug transport via neuronal pathways, reducing systemic side effects and maximizing therapeutic outcomes. In addition, the incorporation of antipsychotic drugs into nanosystems such as polymeric nanoparticles, polymeric mixed micelles, solid lipid nanoparticles, nanostructured lipid carriers, nanoemulsions, nanoemulgels, nanosuspensions, niosomes and spanlastics, has proven to be quite promising. The developed nanosystems, having a small and homogeneous particle size (ideal for nose-to-brain delivery), high encapsulation efficiency and good stability, resulted in improved brain bioavailability and therapeutic-like effects in animal models. Hence, although it is essential to continue research in this field, the intranasal delivery of nanosystems for the treatment of schizophrenia, bipolar disorder and other related disorders has proven to be quite promising, opening a path for future therapies with higher efficacy.
Development of Triamcinolone Acetonide Nanocrystals for Ocular Administration
Authors: Formica María Lina , Awde Alfonso Hamoudi Ghassan , Paredes Alejandro Javier , Melian María Elisa , Camacho Nahuel Matías , Faccio Ricardo , Tártara Luis Ignacio , Palma Santiago Daniel
Published: February 2023

Triamcinolone acetonide (TA) is a powerful anti-inflammatory drug used in the treatment of inflammatory ocular disorders; however, its poor aqueous solubility and ocular anatomical barriers hinder optimal treatment. The aim of this work was to obtain triamcinolone acetonide nanocrystals (TA-NC) to improve ocular corticosteroid therapy. Self-dispersible TA-NC were prepared by the bead milling technique followed by spray-drying, exhaustively characterized and then evaluated in vivo in an ocular model of endotoxin-induced uveitis (EIU). Self-dispersible TA-NC presented an average particle size of 257 ± 30 nm, a narrow size distribution and a zeta potential of −25 ± 3 mV, which remained unchanged for 120 days under storage conditions at 25 °C. In addition, SEM studies of the TA-NC showed uniform and spherical morphology, and FTIR and XRDP analyses indicated no apparent chemical and crystallinity changes. The subconjunctival administration of TA-NC in albino male white rabbits showed no clinical signs of ocular damage. In vivo studies proved that treatment with self-dispersible TA-NC alleviated the inflammatory response in the anterior chamber and iris in EUI rabbit eyes. Dispersible TA-NC are a promising approach to obtaining a novel nanometric TA formulation for ocular disorders.
Assessing Copper-Alternative Products for the Control of Pre- and Postharvest Citrus Anthracnose
Authors: Lombardo Monia Federica , Panebianco Salvina , Azzaro Antonino , Catara Vittoria , Cirvilleri Gabriella
Published: February 2023

Citrus production is worldwide threatened by Colletotrichum spp., causal agents of pre- and postharvest anthracnose. The recent limitation on the use of copper-based antimicrobials, due to its demonstrated noxious effect on the environment, makes the control of this pathogen difficult. Thus, alternative products able to reduce/phase out copper in organic citrus farming are needed. In this study, the efficacy of 11 commercial alternative products were evaluated in vitro, in growth chamber, in open field and in postharvest environments. In vitro, mineral fertilizers, basic substances, essential oils, plant defense stimulators and biological control agents were able to inhibit the mycelial growth with variable efficacy. On artificially infected citrus fruit, almost all tested products significantly reduced disease incidence and severity, but with lower efficacy than copper. The efficacy of mineral fertilizers-based Kiram and Vitibiosap 458 Plus, citrus essential oil-based Prev-Am Plus and chitosan-based Biorend was confirmed in open field trials, in naturally infected citrus fruits. In these trials Biorend was the best alternative product, significantly reducing disease incidence (71% DI reduction) with better results than copper (47.5%). Field treatments reduced the incidence and severity of the disease in postharvest conditions, especially in fruits field-treated three times. Overall, selected products tested in open field can represent a good alternative to copper compounds in the view of future limitation of its use.