bluuebunny/crossref_metadata_2025 huggingface dataset:
Charge transfer in TiO2-based photocatalysis: fundamental mechanisms to material strategies
Authors: Ali Sharafat , Ismail Pir Muhammad , Khan Muhammad , Dang Alei , Ali Sajjad , Zada Amir , Raziq Fazal , Khan Imran , Khan Muhammad Shakeel , Ateeq Muhammad , Khan Waliullah , Bakhtiar Syedul Hasnain , Ali Haider , Wu Xiaoqiang , Shah Muhammad Ishaq Ali , Vinu Ajayan , Yi Jiabao , Xia Pengfei , Qiao Liang
Published: January 2024

The review highlights charge transfer, improved photocatalytic performance, and possible photocatalysis schemes in TiO2-based composites. It also addresses perspectives and challenges in charge transfer mechanisms for TiO2-based photocatalysis.
SHG-active luminescent thermometers based on chiral cyclometalated dicyanidoiridate(iii) complexes
Authors: Rzepiela Jan , Liberka Michal , Zychowicz Mikolaj , Wang Junhao , Tokoro Hiroko , Piotrowska Kinga , Baś Sebastian , Ohkoshi Shin-ichi , Chorazy Szymon
Published: January 2024

A dicyanidoiridate(iii) complex, bearing chiral (R,R)-2-phenyl-4,5-pinenopyridine ligands, serves as a SHG-active luminescent thermometer, optimized by embedding into a heterometallic coordination polymer.
DFT investigation of Cu(i)-catalyzed addition of 1,4-pentadiene to acetophenone: mechanism and selectivity for the synthesis of a chiral tertiary alcohol with a 1,3-diene unit
Authors: Xu Jihong , Yang Yiying , Liu Chengbu , Zhang Dongju
Published: January 2024

DFT calculations show a clear understanding of the reaction mechanism and the origin of selectivity in the chiral phosphoric acid ligand-controlled Cu(i)-catalyzed addition of 1,4-pentadiene to acetophenone.
Efficient catalytic activity of NiO and CeO2 films in benzoic acid removal using ozone
Authors: Franco Peláez Daynahi , Rodríguez S. Julia Liliana , Poznyak Tatyana , Martínez Gutiérrez Hugo , Andraca Adame J. Alberto , Lartundo Rojas Luis , Ramos Torres Claudia Jazmín
Published: January 2024

(1) CeO2 films increases TOC removal in comparison with NiO films in benzoic acid elimination. (2) Both CeO2 and NiO films can be easily recovered from the ozonation system.
Methane hydrate efficient formation in a 3D-rGO/SDBS composite
Authors: Wang Meijiao , Yan Shaojiu , Wang Nan , Ge Wen , Zhang Wei
Published: January 2024

The optimization of storage space and material composition can significantly improve the generation rate and storage capacity of methane hydrate, which is important for the industrial application of solidified natural gas (SNG) technology.
Active site tuning based on pseudo-binary alloys for low-temperature acetylene semihydrogenation
Authors: Ma Jiamin , Xing Feilong , Shimizu Ken-ichi , Furukawa Shinya
Published: January 2024

The size of Ni–Ni ensembles can be finely tuned by Cu doping to the Ni sites of Ni3Ga. The (Ni0.8Cu0.2)3Ga/TiO2 catalyst exhibited outstandingly high catalytic activity, selectivity, and stability in acetylene semihydrogenation even at 150 °C.
Enzymatic and synthetic regulation of polypeptide folding
Authors: Muraoka Takahiro , Okumura Masaki , Saio Tomohide
Published: January 2024

This perspective focuses on the latest understanding of the folding-promotion mechanisms by chaperones and oxidoreductases and recent progress in the development of chemical mimics that possess activities comparable to enzymes.
De novo synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular SNAr reaction
Authors: Li Xing-Chi , Cheng Ying , Wang Xu-Dong , Tong Shuo , Wang Mei-Xiang
Published: January 2024

N3,O-calix[2]arene[2]triazines, whose inherent chirality arises from one different heteroatom linkage, were synthesized enantioselectively in ee up to 95% from macrocyclization via chiral monophosphoric acid-catalyzed intramolecular SNAr reaction.
Crystal property engineering using molecular–supramolecular equivalence: mechanical property alteration in hydrogen bonded systems
Authors: Mondal Saikat , Reddy C Malla , Saha Subhankar
Published: January 2024

By employing a crystal engineering approach, dynamic supramolecular units are replaced with covalent groups in isostructural hydrogen bonded systems, leading to macroscopic crystal property modulation from plastic to elastic.
Chiral nanomaterial-based approaches for diagnosis and treatment of protein-aggregated neurodiseases: current status and future opportunities
Authors: Pranav  , Bajpai Abhishek , Dwivedi Prabhat K. , Sivakumar Sri
Published: January 2024

Stereo-specific effects of chiral nanomaterials on protein-aggregated diseases.
A ZIF-8-encapsulated interpenetrated hydrogel/nanofiber composite patch for chronic wound treatment
Authors: Cheng Hongju , Newton Md All Amin , Rajib Mia , Zhang Qinchen , Gao Weihong , Lu Zan , Zheng Yuansheng , Dai Zijian , Zhu Jie
Published: January 2024

Designing wound dressings necessitates the crucial considerations of maintaining a moist environment and implementing effective bacterial control.
Mg-based implants with a sandwiched composite coating simultaneously facilitate antibacterial and osteogenic properties
Authors: Wu Han , Yu Mengjiao , Zhang Shutao , You Mingyu , Xiong Ao , Feng Boxuan , Niu Jialin , Yuan Guangyin , Yue Bing , Pei Jia
Published: January 2024

Mg-based implants with a sandwiched coating simultaneously facilitate antibacterial and osteogenic properties due to the synergistic biological effects of TCS and Mg2+.
A semi-quantitative visual lateral flow immunoassay for SARS-CoV-2 antibody detection for the follow-up of immune response to vaccination or recovery
Authors: Cavalera Simone , Di Nardo Fabio , Serra Thea , Testa Valentina , Baggiani Claudio , Rosati Sergio , Colitti Barbara , Brienza Ludovica , Colasanto Irene , Nogarol Chiara , Cosseddu Domenico , Guiotto Cristina , Anfossi Laura
Published: January 2024

A visual semiquantitative lateral flow immunoassay (sqLFIA) was developed for the detection of anti-SARS-CoV-2 antibodies promoted by vaccination or infection. The sqLFIA discriminates classes of immune individuals by numbering the coloured lines.
A low power flexible halide perovskite-based threshold switching memristor as an artificial nociceptor
Authors: Tang Lingzhi , Wang Jiaan , Huang Yang , Wang Hengshan , Wang Chen , Yang Yiming
Published: January 2024

In this study, we introduce a flexible halide perovskite based-threshold switching memristor, which exhibits outstanding low power consumption and excellent stability, as an artificial nociceptor that mimics various advanced nociceptor behaviors.
Enhancing perovskite solar cell efficiency and stability through the incorporation of BDAI2 and DMPDAI2
Authors: Chang Han Wen , Li Chien Cheng , Haung Tzu Yu , Li Hsin Chieh , Tan Chih Shan
Published: January 2024

This research explores the incorporation of 2D materials, BDAI2 and DMPDAI2, into perovskite solar cells, demonstrating enhanced efficiency and stability in the resulting devices.
Types of noncovalent bonds within complexes of thiazole with CF4 and SiF4
Authors: Scheiner Steve , Amonov Akhtam
Published: January 2024

The five-membered heteroaromatic thiazole molecule contains a number of electron-rich regions that could attract an electrophile, namely the N and S lone pairs that lie in the molecular plane, and π-system areas above the plane.
Application of DUT-4 MOF structure switching for optical and electrical humidity sensing
Authors: Krylov Alexander S. , Shipilovskikh Sergei A. , Krylova Svetlana N. , Slyusarenko Nina V. , Timofeeva Maria , Kenzhebayeva Yuliya A. , Bachinin Semyon V. , Yushina Irina D. , Cherepakhin Aleksandr V. , Shestakov Nikolai P. , Nemtsev Ivan V. , Vtyurin Alexander N. , Milichko Valentin A.
Published: January 2024

The threshold structural transformation of the DUT-4 metal–organic framework from an ordered to distorted phase was revealed byin situX-ray diffraction analysis, Raman and FTIR spectroscopy, scanning electron microscopy and synchronous thermal analysis.
The dipicolylamino group as an efficient leaving group for amide bond formation via hexafluoroisopropyl ester
Authors: Akai Yasuhito , Asahina Yuya , Hojo Hironobu
Published: January 2024

Peptide dipicolylamide, prepared by Fmoc-SPPS, proved to be useful for segment coupling via hexafluoroisopropyl ester.
Correction: Ammonium niobium oxalate (ANO) as an efficient catalyst in the Paal–Knorr synthesis of N-substituted pyrroles
Authors: Dapper Luiz H. , da Rosa Kethelyn M. , Mena Viviane T. , de Souza Rodrigo O. M. A. , da Silva Felipe L. N. , Anjos Thiago , Penteado Filipe , Lenardão Eder J.
Published: January 2024

Correction for ‘Ammonium niobium oxalate (ANO) as an efficient catalyst in the Paal–Knorr synthesis of N-substituted pyrroles’ by Luiz H. Dapper et al., RSC Sustain., 2024, https://doi.org/10.1039/d3su00395g.
JADES: The production and escape of ionizing photons from faint Lyman-alpha emitters in the epoch of reionization
Authors: Saxena Aayush , Bunker Andrew J. , Jones Gareth C. , Stark Daniel P. , Cameron Alex J. , Witstok Joris , Arribas Santiago , Baker William M. , Baum Stefi , Bhatawdekar Rachana , Bowler Rebecca , Boyett Kristan , Carniani Stefano , Charlot Stephane , Chevallard Jacopo , Curti Mirko , Curtis-Lake Emma , Eisenstein Daniel J. , Endsley Ryan , Hainline Kevin , Helton Jakob M. , Johnson Benjamin D. , Kumari Nimisha , Looser Tobias J. , Maiolino Roberto , Rieke Marcia , Rix Hans-Walter , Robertson Brant E. , Sandles Lester , Simmonds Charlotte , Smit Renske , Tacchella Sandro , Williams Christina C. , Willmer Christopher N. A. , Willott Chris
Published: January 2024

We present the properties of 17 faint Lyman-α emitting galaxies (LAEs) at z > 5.8 from the JWST Advanced Deep Extragalactic Survey (JADES) spectroscopic data in the Hubble Ultra Deep Field/GOODS-S. These LAEs span a redshift range z ≈ 5.8 − 8.0 and a UV magnitude range MUV ≈ −17 to −20.6, with the Lyα equivalent width (EW) in the range ≈25 − 350 Å. The detection of other rest-optical emission lines in the spectra of these LAEs enables the determination of accurate systemic redshifts and Lyα velocity offsets, as well as the physical and chemical composition of their stars and interstellar media. These faint LAEs are consistent with metal-poor systems with high ionization parameters, similar to the general galaxy population at z > 6. We measured an average ionizing photon production efficiency, log(ξion/erg−1 Hz) ≈ 25.57 across our LAEs, which does not evolve strongly with redshift. We report an anti-correlation between the Lyα escape fraction and the velocity offset from systemic redshift, consistent with model expectations. We further find that the strength and velocity offset of Lyα are neither correlated with galaxy spectroscopic properties nor with ξion. We find a decrease in Lyα escape fractions with redshift, indicative of decreasing sizes of ionized bubbles around LAEs at high redshifts. We used a range of galaxy properties to predict Lyman continuum escape fractions for our LAEs, finding that the ionizing photon output into the intergalactic medium from our LAEs remains roughly constant across the observed Lyα EW, showing a mild increase at fainter UV magnitudes and at higher redshifts. We derived correlations between the ionizing photon output from LAEs and their UV magnitudes, Lyα strengths and redshifts, which can be used to constrain the ionizing photon contribution of LAEs at z > 6 towards cosmic reionization.
Synthesis of Fe/Mg-doped NMC6 22 from Spent Nickel Catalyst as Lithium-Ion Battery Cathode
Authors: Dyartanti Endah Retno , Kurniawan Agnestasia Milenia Putri , Putri Arifiah Muflikhati
Published: January 2024

The co-precipitation approach, along with nickel-rich (NMC622) cathode materials, magnesium, and Fe doping, was used to produce nickel-rich NMC (NMC622) cathode materials from spent nickel catalysts. Both X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR) were utilized in order to carry out the characterization of the NMC622 materials. The structural study showed that the doped materials had a structure that was equal to that of Li[Ni0,6Mn0,2Co0,2Xy]O2, which has a layered hexagonal structure similar to that of α-NaFeO2. The electrochemical test found that Mg 1 mol% had the highest discharge capacity at 99.61 mAh/g. This was determined by the results of the test. The use of magnesium as a dopant in structurally stable, Ni-rich NMC materials led to an increase in the electrochemical capacity of the Mg-doped NMC. Magnesium exhibited a significant amount of potential as a dopant. It is necessary to do additional research into the functional testing of magnesium as a doping material in order to maximize its use for a longer cycle life and improved thermal stability lithium ion batteries.
Batik Waste Degradation Using Heterogeneous Fenton Method Using Catalysts To Reduce Environmental Pollution
Authors: Hernanda Pita Adis , Sriyana Ida , Ma’arief Sandhy Auliya , Amelia Shinta
Published: January 2024

The batik industry is one of the industries that develops from time to time. Among the problems that are still a concern today is industrial waste, especially the content of dyes. Reactive dyes found in batik wastewater are very harmful in the environment, and so far only a few industries process the batik waste before disposing of it into the environment. AOPs technology is a combination of several processes such as ozone (O3), hydrogen peroxide, UV light, titanium oxide, photocatalyst, electrolysis, electron beam, electrical discharge, and several others to produce hydroxyl radicals. One method of AOPs is the process of using fenton reagents. This study aims to identify the impact of variations that occur on the active components of batik color waste. The results showed that the use of zeolite catalysts tends to be more effective in absorbing polar components and less effective in absorbing organic matter. This statement is supported by a higher percentage of removal from natural zeolite than activated carbon which is 100%.
Functionalization of ZnO Particles with Tetraethyl Orthosilicate (TEOS) and Application as Heavy Metal Adsorbent Cu2+
Authors: Irnanda Istifhamy , Nazriati Nazriati , Farida Nani , Aliyatulmuna Adilah
Published: January 2024

The increase in Indonesia’s population is directly proportional to industrial growth which also has an impact on the industrial waste produced. One type of waste that is mostly generated from the industrial sector is Cu2+heavy metal waste. Research that has been developed to overcome this problem is the use of adsorbents such as TiO2, SiO2, Al2O3, and zinc oxide (ZnO). The presence of silanol groups aims to control particle size homogeneity and increase the ability of ZnO particles as heavy metal adsorbents. The research was carried out by synthesizing ZnO particles and then functionalizing them with the addition of by adding tetraethyl orthosilicate (TEOS) as a coating on the surface of ZnO particles through the coprecipitation method. The synthesized PZnO and S-ZnO particles were tested with Atomic Absorption Spectrophotometer (AAS) to determine the absorption ability of S-ZnO and P-ZnO particles. The test results showed that the adsorption capacity of P-ZnO was 202.11 mg/g and S-ZnO was 202.54 mg/g with an adsorbent mass of 16 mg. The adsorption isotherm model of P-ZnO and S-ZnO particles followed Temkin’s model with an adsorption heat on P-ZnO particles of 1.35 x 10-3kJ/mol and S-ZnO particles of 7.67 x 10-3kJ/mol, and a physical interaction between adsorbent and adsorbate. P-ZnO particles had a ΔG value of -14.00 kJ/mol and ΔS of 0.09 kJ/mol.K while S-ZnO particles had a ΔG value of -13.401 kJ/mol and ΔS of 0.07 kJ/mol K which indicated that adsorption occurred spontaneously. The ΔH value of P-ZnO was 12.34 kJ/mol and S-ZnO was 7.21 kJ/mol which indicated that the reaction occurred endothermically.
Application of Silica from Beach Sand in the Synthesis of Calcium-Alginate-Silica as Adsorbent of Na+ and Cl- Ions
Authors: Safa Kamila Nisrina , Alfarisyi Syah Alif , Ricky Wijaya Anugrah
Published: January 2024

The calcium-alginate-silica demonstrates the potential application of a membrane for clean water supply through the absorption of Cl- and Na+ ions. Calcium originated from coral skeletons, while silica was extracted from the beach sands of The Gulf of Prigi. The produced membrane was characterized using XRF, FTIR, and SEM techniques, followed by NaCl solution adsorption studies. The results show that the coral skeletons as source of Ca consist mainly of calcium oxide based on XRF analysis, ranging from 90.86% to 93.41%. Similarly, Si in the beach sands primarily consist of SiO2, ranging from 16.2% to 89.5%. FTIR analysis indicates the presence of functional groups (-OH, C=O, C-O, Si-O, and Si-OH) that facilitate the NaCl adsorption process. Additionally, SEM analysis was conducted using ImageJ, showing a particle size diameter of 16192.78 nm, which was characterized by a porous and relatively coarse structural morphology. The calcium-alginate-silica membrane showed the Na+ and Cl- ion adsorptions of 55.4% and 49.4% at the optimal contact time of 20 and 40 minutes, respectively.
The Analysis of Higher Order Thinking Skills: Transfer Aspect of Student Concept in Reaction Rate Material
Authors: Herunata Herunata , Aini Zahro Nurul
Published: January 2024

2013 curriculum requires that in its learning, it requires students’ higher-order thinking skills. Furthermore, in developing students’ higher-order thinking skills with the 2013 curriculum-based learning process, especially in chemistry, an analysis is needed regarding students’ HOTs abilities in chemistry, one of which is in the reaction rate topic. This study aims to describe the higher-order thinking skills (HOTs) transfer aspect in class XI students on the topic reaction rate according to the 2013 curriculum based on the percentage of students’ correct answers. This research is a descriptive study using the survey method. Moreover, the assessment instrument in this study was developed on reaction rate material based on indicators of higher-order thinking skills transfer, according to Brookhart (2010). This study involved 105 students in Malang, East Java, Indonesia. The study’s result shows that students with the HOT ability to transfer aspect skills are included in the high category with a percentage of 70%. The rate of each indicator comprises: (1) analyzing (C4) 78% in the high category, (2) evaluating (C5) 63% in the high category, and (3) creating (C6) 68% in the high category.
Determination of Chromium Mineral in Foodstuffs in Indonesia using INAA Method
Authors: Nurcahyani Fatmawati , Yusuf Saeful , Istanto  , Suprapti Siti , Alfian  , Mulyaningsih Th Rina , Hermana Ferly , Amalia Firda , Dewi Sari Hasnah
Published: January 2024

The concentration of the element chromium (Cr) was determined in 76 types of food ingredients from four provinces in Indonesia. The element Cr is one of the essential elements needed by the human body for physiological processes. Although the amount needed for Cr is relatively small, this mineral is very important for the insulin hormone to function properly. Chromium deficiency can result in decreased insulin sensitivity, glucose intolerance and an increased risk of diabetes. The Cr element was determined using the Instrumental Neutron Activation Analysis (INAA) method in the GA. Siwabessy Multipurpose Research Reactor. The reactor which is located in the Puspiptek area has a thermal neutron flux of around 5.47 x 1013n.cm-2s-1. Bombardment Cr-50 in foodstuffs samples by thermal neutrons will produce Cr-51 through the n, nuclear reaction. The radiosotope Cr-51. The radiosotope Cr-51 which is the result of thermal neutron activation has a half-life of 27.7 days. The single energy peak of the Cr- 51 gamma-ray can be observed at 320.08 keV. The results showed that cassava leaves, melinjo leaves, watercress, sweet potato leaves, papaya leaves, ipomoea aquatica, kenikir, pumpkin leaves, spinach and mushrooms are foodstuffs rich in Cr compared to other foodstuffs. Foodstuffs from Pandeglang Regency-Banten Province have relatively higher Cr concentrations than other three locations.The concentration of Cr in foodstuffs ranges from 0.039 to 5.244 µg/g.
Synthesis and Characterization of Silica and Silica Cellulose from Natural Materials as Matrix for Various Sensor Applications: A Mini Review
Authors: Maknunah Hilyatul , Wonorahardjo Surjani
Published: January 2024

Sensors play a crucial role in various fields by enabling the detection and analysis of a wide range of substances, including hazardous substance detection, environmental and food safety monitoring, pharmaceutical industry, gas analysis, and others. Research continues to identify and develop sensor matrix materials that can increase the sensitivity, selectivity and responsiveness of sensors. Silica, an oxide mineral is a potential matrix material for sensor applications because of its unique characteristics. It has a large pore structure and modifiable pore size distribution. Silica’s stable chemical properties, high-temperature resistance and corrosion resistance make it an ideal matrix material for a wide range of sensor applications. In recent years, silica cellulose also become a potential material for sensor applications. Silica cellulose is produced by combining silica with cellulose components from natural materials, such as rice husk ash, bamboo leaf ash, rice straw ash, and other plant fibers. This article provides a comprehensive exploration of various methods of synthesis and characterization of silica and silica cellulose materials. The methods include sol-gel, acid leaching, alkaline extraction, and other techniques for extracting cellulose from natural sources. In addition, sensor applications that have been tested using this material are also discussed, including its use in detecting molecular compounds, food and environmental applications. The development of silica and silica cellulose materials based on natural materials is considered because of their sustainability. By continuing to explore the potential of these materials, it is hoped that it can make a significant contribution in the development of sensor technology that is more innovative, environmentally friendly and sustainable.
Influence of Processing Oil Content on Rubber-Filler Interactions in Silica/Carbon Black-Filled Natural Rubber Compounding
Authors: Kusuma Arti Dewi , Donwang Wanita
Published: January 2024

To ensure the production of high-quality rubber products, establishing effective compatibility and robusting interactions between rubber and fillers is crucial. Since the rubber production industry faces significant environmental challenges, sustainability is becoming a necessity in the rubber business. Various materials, such as the presence of processing aids, might influence rubber-filler and filler-filler interactions. Petroleum oil as general processing oil has environmental issues, thus it is urgent to replace it with bio-based oil. This study addresses these concerns by investigating the impact of paraffinic oil and bio-based oil content on the interactions between silica/carbon black and natural rubber chains. Ranging from 0 to 10 phr, different dosages of these oils were employed. The rubber compound underwent milling using two rolled laboratory open mills post-blending with a laboratory internal mixer. Subsequently, mechanical properties were assessed. A Rubber Processing Analyzer was utilized to characterize interactions between uncured and cured silica/carbon black-filled natural rubber blends. The results revealed that all variations were distributed uniformly. Tan Delta results confirm that a chemical with a high bio-based oil concentration is easier to process. The carbon black with the largest peak of modulus values at low strain has the highest reinforcing or the poorest dispersion. Compounding with paraffinic oil has a high peak modulus value, resulting in poor dispersion when compared to bio-based oil. This research sheds light on the potential of bio-based oils as an eco-friendly alternative in rubber processing, contributing to sustainability efforts in the industry.
Perspectives and awareness of endoscopy healthcare professionals on sustainable practices in gastrointestinal endoscopy: results of the LEAFGREEN survey
Authors: Cunha Neves João A. , Rodriguez de Santiago Enrique , Pohl Heiko , Lorenzo-Zúñiga Vicente , Cunha Miguel F. , Voiosu Andrei M. , Römmele Christoph , Penman Douglas G. , Albéniz Eduardo , Siau Keith , Donnelly Leigh , Elli Luca , Pioche Mathieu , Beilenhoff Ulrike , Arvanitakis Marianna , Weusten Bas L.A.M. , Bisschops Raf , Hassan Cesare , Messmann Helmut , Gralnek Ian M. , Dinis-Ribeiro Mário
Published: January 2024

Background Gastrointestinal (GI) endoscopy is one of healthcare’s main contributors to climate change. We aimed to assess healthcare professionals’ attitudes and the perceived barriers to implementation of sustainable GI endoscopy.

Methods The LEAFGREEN web-based survey was a cross-sectional study conducted by the European Society of Gastrointestinal Endoscopy (ESGE) Green Endoscopy Working Group. The questionnaire comprised 39 questions divided into five sections (respondent demographics; climate change and sustainability beliefs; waste and resource management; single-use endoscopes and accessories; education and research). The survey was available via email to all active members of the ESGE and the European Society of Gastroenterology and Endoscopy Nurses and Associates (ESGENA) in March 2023.

Results 407 respondents participated in the survey (11% response rate). Most participants (86%) agreed climate change is real and anthropogenic, but one-third did not consider GI endoscopy to be a significant contributor to climate change. Improvement in the appropriateness of endoscopic procedures (41%) and reduction in single-use accessories (34%) were considered the most important strategies to reduce the environmental impact of GI endoscopy. Respondents deemed lack of institutional support and knowledge from staff to be the main barriers to sustainable endoscopy. Strategies to reduce unnecessary GI endoscopic procedures and comparative studies of single-use versus reusable accessories were identified as research priorities.

Conclusions In this survey, ESGE and ESGENA members acknowledge climate change as a major threat to humanity. Further improvement in sustainability beliefs and professional attitudes, reduction in inappropriate GI endoscopy, and rational use of single-use accessories and endoscopes are critically required.
How does the opening of high-speed rail drive energy restructuring? New micro evidence from China
Authors: Feng Yanchao , Zhang Juan , Luo Renfu , Pan Yuxi , Niu Shuhai
Published: January 2024

Against the dual backdrop of China vigorously promoting high-speed railways (HSR) construction and establishing an ecological civilization system, HSR as urban transportation infrastructure, is currently gaining growing attention from the academic community due to its environmental benefits as well as its effects in energy conservation and emission reduction. In this context, this research treats the initiation of HSR as a quasi-natural experiment, meanwhile empirically examining the effect of HSR on energy structure restructuring and exploring the micro-level channels through which it operates. The empirical results validate the reduction effect of HSR opening on fuel energy consumption of industrial enterprises, especially the usage of fuel coal. This highlight remains valid across a series of robustness tests. Moreover, it is evident that the “driving effect” of enterprise technological innovation capability and the “industrial upgrading effect” of enterprise relocation are effective transmission pathways in the process of HSR opening influencing the adjustment of energy consumption structure. Moreover, the unique characteristics of enterprise, industry, and region introduce a certain degree of heterogeneity. The low-energy-consumption effect of HSR is more pronounced in high-carbon industry enterprises, technology-intensive enterprises, firms engaged in innovation pilot cities, small to the medium-sized city and resource-based city. This paper provides a new perspective on energy structure adjustment, contributing to offering solid experiences and references for environmental governance in China and other emerging economies.
Strain-enhanced dynamic ranges in two-dimensional MoS2 and MoTe2 nanomechanical resonators
Authors: Zhang Pengcheng , Jia Yueyang , Liu Zuheng , Yang Rui
Published: January 2024

Two-dimensional (2D) materials are promising for atomic-scale, ultralow-power, and highly tunable resonant nanoelectromechanical systems (NEMS) in sensing, communications, and computing. Toward these applications, a broad and controllable linear dynamic range (DR) is desirable for increasing the signal-to-noise ratio (SNR) and reliability. Here, we develop a comprehensive strain-enhanced DR model for 2D NEMS resonators, which is experimentally verified through the tuning of DRs in 2D molybdenum disulfide (MoS2) and molybdenum ditelluride (MoTe2) NEMS resonators using gate-induced strain. We find that the resonance frequency, quality factor, and nonlinear coefficient are all tuned by the gate voltage, which enhance the DR together. Through the guidance of the DR tuning model, we demonstrate DR enhancement by up to 26.9 dB (from 69.5 to 96.4 dB) in a 2D MoS2 NEMS resonator by properly tuning the gate voltage, leading to a theoretical mass resolution of 26 yg (1 yg = 10−24 g). To accurately extract the DR, we further differentiate the quality factors for thermomechanical resonances and for resonances at the largest linear amplitude. This gate-enhanced DR model is also verified using a MoTe2 resonator, with DR enhancement of 7 dB (91.2 to 98.2 dB). The results provide a promising pathway for accurately predicting and optimizing the DRs in NEMS resonators, toward enhanced sensitivity and SNR in mass sensing, radio frequency signal processing, memory, and computing applications.
Interplay of graphene–DNA interactions: Unveiling sensing potential of graphene materials
Authors: Gao Yanjing , Wang Yichun
Published: January 2024

Graphene-based materials and DNA probes/nanostructures have emerged as building blocks for constructing powerful biosensors. Graphene-based materials possess exceptional properties, including two-dimensional atomically flat basal planes for biomolecule binding. DNA probes serve as excellent selective probes, exhibiting specific recognition capabilities toward diverse target analytes. Meanwhile, DNA nanostructures function as placement scaffolds, enabling the precise organization of molecular species at nanoscale and the positioning of complex biomolecular assays. The interplay of DNA probes/nanostructures and graphene-based materials has fostered the creation of intricate hybrid materials with user-defined architectures. This advancement has resulted in significant progress in developing novel biosensors for detecting DNA, RNA, small molecules, and proteins, as well as for DNA sequencing. Consequently, a profound understanding of the interactions between DNA and graphene-based materials is key to developing these biological devices. In this review, we systematically discussed the current comprehension of the interaction between DNA probes and graphene-based materials, and elucidated the latest advancements in DNA probe–graphene-based biosensors. Additionally, we concisely summarized recent research endeavors involving the deposition of DNA nanostructures on graphene-based materials and explored imminent biosensing applications by seamlessly integrating DNA nanostructures with graphene-based materials. Finally, we delineated the primary challenges and provided prospective insights into this rapidly developing field. We envision that this review will aid researchers in understanding the interactions between DNA and graphene-based materials, gaining deeper insight into the biosensing mechanisms of DNA–graphene-based biosensors, and designing novel biosensors for desired applications.
A data-driven approach to predict the saturation magnetization for magnetic 14:2:1 phases from chemical composition
Authors: Choudhary Amit Kumar , Hohs Dominic , Jansche Andreas , Bernthaler Timo , Goll Dagmar , Schneider Gerhard
Published: January 2024

14:2:1 phases enable permanent magnets with excellent magnetic properties. From an application viewpoint, saturation polarization, Curie temperature, and anisotropy constant are important parameters for the magnetic 14:2:1 phases. Novel chemical compositions that represent new 14:2:1 phases require especially maximum saturation magnetization values at application-specific operating temperatures to provide maximum values for the remanence and the maximum energy density in permanent magnets. Therefore, accurate knowledge of the saturation magnetization Ms is important. Ms gets affected by chemical composition in a twofold way, with chemical composition significantly influencing both magnetic moments and crystal structure parameters. Therefore, for magnetic 14:2:1 phases, we have developed a regression model with the aim to predict the saturation magnetization in [µB/f.u.] at room temperature directly from the chemical composition as input features. The dataset for the training and testing of the model is very diverse, with literature data of 143 unique phases and 55 entries of repeated phases belonging to the ternary, quaternary, quinary, and senary alloy systems. Substitutionally dissolved elements are heavy and light rare earth elements, transition metals, and additional elements. The trained model is a voting regressor model with different weights assigned to four base regressors and has generalized well, resulting in a low mean absolute error of 0.8 [µB/f.u.] on the unseen test set of 52 phases. This paper could serve as the basis for developing novel magnetic 14:2:1 phases from chemical composition.
Prediction of physical realizations of the coordinated universal time with gated recurrent unit
Authors: Rivera-Ruiz Mayra Alejandra , López-Romero José Mauricio , Mendez-Vazquez Andres
Published: January 2024

Coordinated Universal Time (UTC), produced by the Bureau International des Poids et Mesures (BIPM), is the official worldwide time reference. Given that there is no physical signal associated with UTC, physical realizations of the UTC, called UTC(k), are very important for demanding applications such as global navigation satellite systems, communication networks, and national defense and security, among others. Therefore, the prediction of the time differences UTC-UTC(k) is important to maintain the accuracy and stability of the UTC(k) timescales. In this paper, we report for the first time the use of a deep learning (DL) technique called Gated Recurrent Unit (GRU) to predict a sequence of H futures values of the time differences UTC-UTC(k) for ten different UTC(k) timescales. UTC-UTC(k) time differences published on the monthly Circular T document of the BIPM are used as training samples. We utilize a multiple-input, multiple-output prediction strategy. After a training process where about 300 past values of the difference UTC-UTC(k) are used, H (H = 6) values of the Circular T can be predicted using p (typically p = 6) past values. The model has been tested with data from ten different UTC(k) timescales. When comparing GRU results with other standard DL algorithms, we found that the GRU approximation has a good performance in predicting UTC(k) timescales. According to our results, the GRU error in predicting UTC-UTC(k) values is typically 1 ns. The frequency instability of the UTC(k) timescale is the main limitation in reducing the GRU error in the time difference prediction.
Numerical investigation of the natural transition in boundary layers on underwater axisymmetric bodies with superhydrophobic surfaces
Authors: Liu Bin , Liu Jianhua , Zhang Yongming
Published: January 2024

The natural transition in boundary layers on axisymmetric bodies with superhydrophobic surfaces is studied using numerical methods. By boundary layer, we mean the boundary layer around the forebody and around the parallel body of an underwater vehicle. A method of calculating basic laminar flows on axisymmetric bodies with superhydrophobic curved surfaces is proposed, and a method of linear stability analysis for the boundary layers that considers the slip-velocity boundary condition for small disturbances is established. The eN method is used to predict the transition locations of the boundary layers. On a superhydrophobic surface, the slip velocity on the wall increases and then decreases along the streamwise direction, resulting in a maximum value at the forebody. The boundary layer thickness on a superhydrophobic surface becomes smaller than that on an ordinary surface. The superhydrophobic surface stabilizes the boundary layer and thus delays the natural transition. As the slip length on the superhydrophobic surface increases, the unstable zone shrinks, and the transition location moves further downstream, indicating that the delay effect of the superhydrophobic surfaces becomes stronger. As the oncoming flow velocity increases, the transition location on the superhydrophobic surface moves upstream and then downstream, leading to a “dangerous” velocity, at which the transition location is closest to the leading edge. The underlying mechanism of the dangerous velocity phenomenon is discussed: An increasing velocity has both stabilizing effect and destabilizing effect on the boundary layer.
Charging and discharging a supercapacitor in molecular simulations
Authors: Sitlapersad Ranisha S. , Thornton Anthony R. , den Otter Wouter K.
Published: January 2024

As the world moves more toward unpredictable renewable energy sources, better energy storage devices are required. Supercapacitors are a promising technology to meet the demand for short-term, high-power energy storage. Clearly, understanding their charging and discharging behaviors is essential to improving the technology. Molecular Dynamics (MD) simulations provide microscopic insights into the complex interplay between the dynamics of the ions in the electrolyte and the evolution of the charge distributions on the electrodes. Traditional MD simulations of (dis)charging supercapacitors impose a pre-determined evolving voltage difference between the electrodes, using the Constant Potential Method (CPM). Here, we present an alternative method that explicitly simulates the charge flow to and from the electrodes. For a disconnected capacitor, i.e., an open circuit, the charges are allowed to redistribute within each electrode while the sum charges on both electrodes remain constant. We demonstrate, for a model capacitor containing an aqueous salt solution, that this method recovers the charge–potential curve of CPM simulations. The equilibrium voltage fluctuations are related to the differential capacitance. We next simulate a closed circuit by introducing equations of motion for the sum charges, by explicitly accounting for the external circuit element(s). Charging and discharging of the model supercapacitor via a resistance proceed by double exponential processes, supplementing the usual time scale set by the electrolyte dynamics with a novel time scale set by the external circuit. Finally, we propose a simple equivalent circuit that reproduces the main characteristics of this supercapacitor.
A new flux coordinates-based solver for fixed-boundary tokamak equilibrium with toroidal flow
Authors: Feng Xuming , Wu Zhaoqing , Chen Kunjie , Zhang Dingzong , Ma Jun , Guo Wenfeng , Huang Yanqing , Liu Hongbo
Published: January 2024

The plasma equilibrium plays a crucial role in nuclear fusion studies, serving as the foundation for various aspects of fusion research, including plasma stability, transport, and current drive. In this paper, a new Grad–Shafranov equation solver is developed for the fixed-boundary plasma equilibria with toroidal flow. This solver utilizes the pressure profile, safety factor profile (not current profile), and any two profiles of the toroidal angular velocity, plasma temperature, and square of the Mach number as inputs. The numerical results obtained by this solver exhibit good agreement with known analytic solution under identical parameters, and the potential applications of the solver are demonstrated through several numerical equilibria with toroidal flow. It is very convenient to apply this code to simulate the tokamak equilibrium with a smooth plasma shape. In addition, the effect of toroidal flow on the plasma equilibria is investigated as a simple application. The results reveal a notable outward shift in the contour profiles of magnetic flux surface, density, pressure, and temperature induced by toroidal flow.
Digitizing images of electrical-circuit schematics
Authors: Kelly Charles R. , Cole Jacqueline M.
Published: January 2024

Electrical-circuit schematics are a foundational tool in electrical engineering. A method that can automatically digitalize them is desirable since a knowledge base of such schematics could preserve their functional information as well as provide a database that one can mine to predict more operationally efficient electrical circuits using data analytics and machine learning. We present a workflow that contains a novel pattern-recognition methodology and a custom-trained Optical Character Recognition (OCR) model that can digitalize images of electrical-circuit schematics with minimal configuration. The pattern-recognition and OCR stages of the workflow yield 86.4% and 99.6% success rates, respectively. We also present an extendable option toward predictive circuit-design efficiencies, subject to a large database of images being available. Thereby, data gathered from our pattern-recognition workflow are used to draw network graphs, which are in turn employed to form matrix equations that contain the voltages and currents for all nodes in the circuit in terms of component values. These equations could be applied to a database of electrical-circuit schematics to predict new circuit designs or circuit modifications that offer greater operational efficiency. Alternatively, these network graphs could be converted into simulation programs with integrated circuit emphasis netlists to afford more accurate and computationally automated simulations.
Electron and hole bipolar injection in magnesium oxide films
Authors: Perevalov Timofey V. , Islamov Damir R. , Zalyalov Timur M. , Gismatulin Andrei A. , Golyashov Vladimir A. , Tereshchenko Oleg E. , Gorshkov Dmitry V. , Gritsenko Vladimir A.
Published: January 2024

It is assumed that the reliability and functionality of nonvolatile memory elements based on MgO are determined by the charge transport in MgO. In the present study, the type of MgO conductivity is established using experiments on the injection of minority charge-carriers in the n(p)-Si/MgO/Mg structures. It is shown that electrons and holes contribute to the MgO conductivity, causing bipolar charge transport. Using ab initio simulations, it was found that native point defects in MgO can provide both electron and hole conductivity.
Long-range ordering of velocity-aligned active polymers
Authors: Rudyak Vladimir Yu. , Lopushenko Alexander , Palyulin Vladimir V. , Chertovich Alexander V.
Published: January 2024

In this work, we study the effect of covalent bonding on the behavior of non-equilibrium systems with the active force acting on particles along their velocity. Self-ordering of single particles does not occur in this model. However, starting from some critical polymerization degree, the ordered state is observed. It is homogeneous and exhibits no phase separation. In the ordered state, the chains prefer a near-two-dimensional configuration and all move in one direction. Importantly, the self-ordering is obtained only at intermediate active force magnitudes. At high magnitudes, the transition from the disordered to ordered state is suppressed by the swelling of the chains during the transition, as we show by the transition kinetics analysis. We demonstrate the bistable behavior of the system in a particular range of polymerization degrees, amplitudes of active force, densities, and thermostat temperatures. Overall, we show that covalent bonding greatly aids the self-ordering in this active particle model, in contrast to active Brownian particles.
Effect of laser power on the microstructure and corrosion resistance of laser cladding Mo2NiB2 coatings
Authors: Zhang Shitao , Liu Minghui , Wang Haoran , Jiang Chunxia , Zhao Yuantao , Li Wenge , Liu Yanbo , Yin Li , Zhang Jing , Pan Zhengyang , Sun Boyang
Published: January 2024

In this study, Mo2NiB2 coatings were prepared by the laser cladding technique and the relationship between coating microstructure and corrosion resistance with cladding power was analyzed. The results showed that Mo2NiB2 was reactively generated in all coatings while Mo2FeB2 and (Fe, Ni) were also present in the coatings due to dilution of the substrate. There was a good metallurgical bond between the coating and the substrate. The white cermet phase and black Fe-rich phase alternated within the coatings. As observed from the surface, the ceramic phase spreads out in a flattened shape and the black Fe-rich phase was present in a large number of pores. Due to the overdilution of the substrate, the volume of the ceramic phase decreased at a power of 800 W and the Fe content within the coating increased. The corrosion resistance of the coatings increased as the laser power increased from 500 to 700 W. Then the corrosion resistance of the coatings decreased at 800 W due to the excess Fe content and the decrease in the relative content of Mo2NiB2 and (Fe, Ni). Mo2NiB2 coating prepared at 700 W has the best corrosion resistance.
Real-time monitoring of Ti(IV) metal ion binding of transferrin using a solid-state nanopore
Authors: O’Donohue Matthew , Ghimire Madhav L. , Lee Sangyoup , Kim Min Jun
Published: January 2024

Transferrin, a central player in iron transport, has been recognized not only for its role in binding iron but also for its interaction with other metals, including titanium. This study employs solid-state nanopores to investigate the binding of titanium ions [Ti(IV)] to transferrin in a single-molecule and label-free manner. We demonstrate the novel application of solid-state nanopores for single-molecule discrimination between apo-transferrin (metal-free) and Ti(IV)-transferrin. Despite their similar sizes, Ti(IV)-transferrin exhibits a reduced current drop, attributed to differences in translocation times and filter characteristics. Single-molecule analysis reveals Ti(IV)-transferrin’s enhanced stability and faster translocations due to its distinct conformational flexibility compared to apo-transferrin. Furthermore, our study showcases solid-state nanopores as real-time monitors of biochemical reactions, tracking the gradual conversion of apo-transferrin to Ti(IV)-transferrin upon the addition of titanium citrate. This work offers insights into Ti(IV) binding to transferrin, promising applications for single-molecule analysis and expanding our comprehension of metal–protein interactions at the molecular level.