bluuebunny/crossref_metadata_2025 huggingface dataset:
A new and unified method for regression analysis of interval‐censored failure time data under semiparametric transformation models with missing covariates
Authors: Lou Yichen , Ma Yuqing , Du Mingyue
Published: March 2024

This paper discusses regression analysis of interval‐censored failure time data arising from semiparametric transformation models in the presence of missing covariates. Although some methods have been developed for the problem, they either apply only to limited situations or may have some computational issues. Corresponding to these, we propose a new and unified two‐step inference procedure that can be easily implemented using the existing or standard software. The proposed method makes use of a set of working models to extract partial information from incomplete observations and yields a consistent estimator of regression parameters assuming missing at random. An extensive simulation study is conducted and indicates that it performs well in practical situations. Finally, we apply the proposed approach to an Alzheimer's Disease study that motivated this study.
Optimizing Preparation of Fish Scale Collagen Peptide/Sacha Inchi (Plukenetia volubilis L.) Seed Oil Nanoemulsion
Authors: Vu Thi Thu Le , Vu Thi Ngoc Lan , Mai Duc Huynh , Nguyen Xuan Thai , Nguyen Phi Hung , Ngo Thi Cam Quyen , Dam Xuan Thang , Thai Hoang , Nguyen Thuy Chinh
Published: March 2024

This study presents results of extracting hydrolyzed collagen peptide from fresh‐water fish scale and using it to prepare a nanoemulsion based on Sacha inchi (Plukenetia volubilis L.) seed oil and collagen peptide. The sacha inchi seed oil is extracted from the seeds of Sacha Inchi (abbreviated as sachi) plant and contains approximate 45 % triple omega 3–6‐9 (ω‐3, ω‐6, ω‐9) content. Pseudo‐ternary phase diagrams of three components: aqueous collagen solution, sachi seed oil, and surfactant/co‐surfactant (Smix) have been constructed. The parameters including the composition of Smix, sachi seed oil, and aqueous collagen solution have been selected to optimize the technology factors for the emulsion process. A quadratic regression equation was chosen, and experimental planning following the Box‐Behnken model using response surface methodology was used to optimize the preparation conditions for the nanoemulsion. The average droplet size of the emulsion systems is the object function for optimization. The Smix is a mixture of surfactant (Tween80) and propylene glycol (PG) with different ratios of Tween80/PG of 1/1, 2/1, 3/1, and 4/1, corresponding to the formation of four emulsion systems, code 1, 2, 3, 4, respectively. The optimal parameters for each emulsion system are different, however, the aqueous collagen solution contains a higher proportion in emulsions. Under the optimal conditions, the predicted values of the objective function of emulsions code 1–code 4 ranged from 95.62 to 185.14 nm, increasing together with the Tween80 ratio in Smix. The experiment values of the objective function of emulsions code 1–code 4 prepared under the optimal conditions are 104.22, 133.70, 159.27, and 207.87 nm, respectively. These values are close to the predicted values, suggesting that the suitability of the experiment and theory. Additionally, the stability of the nanoemulsion prepared under the optimal conditions is also evaluated. A stable nanoemulsion is potentially for loading nutraceuticals and vitamins for applications in personal health care and medicinal fields.
Aromatic Amine attached Quinazolinones: Synthesis Characterization and DNA Binding Properties
Authors: Misra Arunava , Das Soumya , Mondal Mohabul Alam
Published: March 2024

A facile intramolecular [1,5] hydride transfer reaction in a Dihydroquinazolin‐4(1H)‐one moiety synthesized from anthranilamide, glutaraldehyde, and aromatic amines is described in isopropanol medium in the presence of catalytic HCl. Based on that, we have designed a simple, efficient strategy for conjugating quinazolinone, a pharmaceutically active moiety, with an aromatic amine through an aliphatic spacer. The use of isopropanol as a reaction medium at RT and isolation of the product without rigorous column purification make the process a step ahead towards sustainability. One of the synthesized compounds was evaluated as a small molecule DNA binder. Detailed binding properties were investigated by the multispectroscopy methods.
Acceptorless Dehydrogenation of Primary and Secondary Alcohols Catalysed by Phosphine‐free C, C Chelated Ir (III) NHC Complexes
Authors: Borah Dhrubajit , Bhattacharyya Pranaba Nanda , Islam Nazim Forid
Published: March 2024

Herein, an efficient, atom‐economic, environmentally benign catalytic protocol has been developed for synthesising ketones and aldehydes by acceptorless dehydrogenation of alcohols. The protocol employs C, C chelated Ir (III) NHC complexes to promote acceptorless dehydrogenation of both secondary and primary alcohols. Notably, oxidation of primary alcohol selectively yields the corresponding aldehyde where forming ester byproducts is possible. Using C, C chelated Ir (III) NHC complexes (0.1 mol%), and a catalytic amount of base tBuONa (5 mol%), several aliphatic and aromatic aldehydes and ketones including more challenging carbonyl compounds bearing heterocyclic rings were obtained in moderate to high yields. Moreover, the protocol is also efficient for synthesising industrially important molecules like heliotropin and 3,4,5‐trimethoxy acetophenone in moderate yields. Remarkably, the catalytic system allows the straightforward synthesis of the potentially bio‐active compound cholest‐4‐en‐3‐one through acceptorless dehydrogenation followed by double bond isomerisation under the reaction conditions. Low catalyst loading, mild reaction conditions, high selectivity, short reaction time, and broad‐substrate scopes are a few interesting characteristics of the catalytic protocol described herein.
Hydrazine and its Derivatives: Role on Nitrogen Dioxide Hydrolysis and Ensuing Nucleation in the Atmosphere
Authors: Ni Shuang , An Guo‐Ce , Peng Xin‐Yao , Liu Xiang‐Huan , Meng Ting‐Ting , Song Xiao‐Ming , Tang Yi‐Zhen , Bai Feng‐Yang , Zhao Zhen
Published: March 2024

Hydrazine (HD) and mono‐methyl hydrazine (MMH), as the compositions of rocket fuels and corrosion inhibitor, have a significant impact on the atmospheric environment. The effects of them on the reaction between NO2 and H2O were investigated theoretically from mechanism and kinetics, and it is expected that they can promote the hydrolysis of NO2 due to their lower free energy barriers. For the subsequent reaction HNO3+HONO+HD/MMH, acid base complex and zwitterionic structure were produced through isomerization. When one or two water molecules were involved in the subsequent reaction, only zwitterionic structure can be found with the lower free energy barrier, and the products were more stable than those without water molecules. To study the atmospheric behavior of HD/MMH, the structures, thermodynamics, interaction forces and temperature dependence of the clusters, which were consisted with HNO3 and HONO with the base molecules including ammonia, amine and amide, were further calculated, and the results show that the hydrogen bond is the main interaction in the clusters. The global minima remained fixed when the temperature increases from 200 K to 325 K. The forming reactions of the clusters were spontaneous, suggesting that ammonia, amine and amide can promote the nucleation of HNO3 and HONO molecules.
Preparation of the Amorphous NiCoP Nanosheet Array on Carbon Cloth for High‐Performance Solid‐State Hybrid Supercapacitor
Authors: He Yulian , Zhang Deyi , Li Zheyuan , Li Yang , Li Yixuan , Wang Bing , Wang Kunjie , Han Zhiyong
Published: March 2024

The outstanding performance of amorphous transition metal phosphides (TMPs) has garnered significant attention in the field of energy storage devices. However, the current approaches for obtaining TMPs require a high phosphidation temperature of over 350 °C, which cause a rise in crystallinity and inferior supercapacitive performance, along with the insufficient utilization of phosphidation agents. In this work, we designed a specially‐made quartz reactor to address this challenge. Using the specially‐designed reactor, the amorphous NiCoP nanosheet array was successfully synthesized on carbon cloth at a relatively low phosphidation temperature of 280 °C. The resulting nanosheet array grown on carbon cloth exhibited a high specific capacity of 338.33 mAh g−1 at a current density of 1 A g−1, along with exceptional cycling stability, retaining 92.3 % of its initial capacity after 1000 cycles. An asymmetric solid‐state hybrid supercapacitor assembled using the prepared amorphous NiCoP@CC‐1 material exhibited a high energy density of 50.98 Wh kg−1 at a power density of 800 W kg−1 while maintaining 92.7 % of initial specific capacity after 5000 cycles. The proposed approach is anticipated to facilitate the use of amorphous TMP materials in the development of high‐performance solid‐state hybrid supercapacitors.
One‐Step Preparation Pitch‐Based Porous Carbon via Carbonization and Co‐Activation for High‐Performance Supercapacitors
Authors: Tian Fulai , Zhou Ling , Yuan Yanyan , Li Susu , Li Wei
Published: March 2024

Hierarchical porous carbon (HPC) materials for supercapacitor (SC) application are synthesized via a one‐step carbonization and activation method, using a novel composite activating agent with synergistic activation effect from mesophase pitch (MP) as precursor. The prepared mesophase pitch‐based porous carbon (MPPC) exhibits an ultra‐high specific surface area (SSA) of 2955.0 m2 g−1, well‐controlled pore size distribution (PSD), and exceptional electrochemical performance. The specific capacitance of MPPC‐4 attains up to 338.1 F g−1 at 1 A g−1 and 250.1 F g−1 at 20 A g−1, demonstrating remarkable rate capability. Furthermore, the assembled symmetric SC achieves a high energy density of 29.83 Wh kg−1 at a power density of 999.93 W kg−1 and still maintains 6.56 Wh kg−1 at a high power density of 19.89 kW kg−1. Furthermore, the SC exhibits advantageous cyclic stability, as evidenced by its remarkable capacitance retention rate of 88.55 % even after 5000 cycles. The utilization of this novel composite activating agent in the synthesis of pitch‐derived porous carbon (PC) electrode materials is an exceptionally effective and inventive process.
KOtBu Mediated Alcohol Dehydrogenation Strategy: Synthesis of 2‐Aryl Quinazolinones
Authors: P Hima , Tomasini Michele , Poater Albert , Dey Raju
Published: March 2024

Herein we report an atom‐economical, transition metal‐free method for synthesizing 2‐aryl quinazolinones through a cascade annulation of 2‐amino benzamide and benzyl alcohol. The reaction proceeds via KOtBu‐mediated acceptorless alcohol dehydrogenation pathways. The procedure tolerates a wide variety of functional groups and provides a convenient method for the synthesis of 2‐aryl quinazolinones. Mechanistic insights by experiments and DFT calculations lead to unveil the reaction mechanism.
Extremely Stable Ag‐Based Photonics, Plasmonic, Optical, and Electronic Materials and Devices Designed with Surface Chemistry Engineering for Anti‐Tarnish
Authors: Ahn Junhyuk , Kim Doa , Park Junhyeok , Yang Yoonji , Kim Mi‐Hyun , Choi Hyung Jin , Jeong Wooseok , Lee Woo Seok , Oh Dae Yang , Ha Don‐Hyung , Hong Sung‐Hoon , Oh Soong Ju
Published: March 2024

Silver (Ag) metal‐based structures are promising building blocks for next‐generation photonics and electronics owing to their unique characteristics, such as high reflectivity, surface plasmonic resonance effects, high electrical conductivity, and tunable electron transport mechanisms. However, Ag structures exhibit poor sustainability in terms of device performance because harsh chemicals, particularly S2− ions present in the air, can damage their structures, lowering their optical and electrical properties. Here, the surface chemistry of Ag structures with (3‐mercaptopropyl)trimethoxysilane (MPTS) ligands at room temperature and under ambient conditions is engineered to prevent deterioration of their optical and electrical properties owing to S2− exposure. Regardless of the dimensions of the Ag structures, the MPTS ligands can be applied to each dimension (0D, 1D, and 3D). Consequently, highly sustainable plasmonic effects (Δλ < 2 nm), Fabry–Perot cavity resonance structures (Δλ < 2 nm), reflectors (ΔRReflectance < 0.5%), flexible electrodes (ΔRelectrical < 0.1 Ω), and strain gauge sensors (ΔGF < 1), even in S2− exposing conditions is achieved. This strategy is believed to significantly contribute to environmental pollution reduction by decreasing the volume of electronic waste.
Bio‐Inspired Photosensory Artificial Synapse Based on Functionalized Tellurium Multiropes for Neuromorphic Computing
Authors: Rani Adila , Sultan M. Junaid , Ren Wanqi , Bag Atanu , Lee Ho Jin , Lee Nae‐Eung , Kim Tae Geun
Published: March 2024

Nanomaterials like graphene and transition metal dichalcogenides are being explored for developing artificial photosensory synapses with low‐power optical plasticity and high retention time for practical nervous system implementation. However, few studies are conducted on Tellurium (Te)‐based nanomaterials due to their direct and small bandgaps. This paper reports the superior photo‐synaptic properties of covalently bonded Tellurium sulfur oxide (TeSOx) and Tellurium selenium oxide (TeSeOx)nanomaterials, which are fabricated by incorporating S and Se atoms on the surface of Te multiropes using vapor deposition. Unlike pure Te multiropes, the TeSOx and TeSeOx multiropes exhibit controllable temporal dynamics under optical stimulation. For example, the TeSOx multirope‐based transistor displays a photosensory synaptic response to UV light (λ = 365 nm). Furthermore, the TeSeOx multirope‐based transistor exhibits photosensory synaptic responses to UV–vis light (λ = 365, 565, and 660 nm), reliable electrical performance, and a combination of both photodetector and optical artificial synaptic properties with a maximum responsivity of 1500 AW−1 to 365 nm UV light. This result is among the highest reported for Te‐heterostructure‐based devices, enabling optical artificial synaptic applications with low voltage spikes (1 V) and low light intensity (21 µW cm−2), potentially useful for optical neuromorphic computing.
Distinctive p‐d Orbital Hybridization in CuSb Porous Nanonetworks for Enhanced Nitrite Electroreduction to Ammonia
Authors: Yan Min , Wei Ranran , Zhang Ruifan , Zhang Xiaoying , Sun Shiqin , Wei Xuewen , Wang Xianlong , Yin Shuli , Wang Yinglong
Published: March 2024

Electrochemical nitrite reduction reaction (), as a green and sustainable ammonia synthesis technology, has broad application prospects and environmental friendliness. Herein, an unconventional p‐d orbital hybridization strategy is reported to realize the fabrication of defect‐rich CuSb porous nanonetwork (CuSb PNs) electrocatalyst for . The crystalline/amorphous heterophase structure is cleverly introduced into the porous nanonetworks, and this defect‐rich structure exposes more atoms and activated boundaries. CuSb PNs exhibit a large NH3 yield () of 946.1 µg h−1
and a high faradaic efficiency (FE) of 90.7%. Experimental and theoretical studies indicate that the excellent performance of CuSb PNs results from the defect‐rich porous nanonetworks structure and the p‐d hybridization of Cu and Sb elements. This work describes a powerful pathway for the fabrication of p‐d orbital hybrid defect‐rich porous nanonetworks catalysts, and provides hope for solving the problem of nitrogen oxide pollution in the field of environment and energy.
Pyrrolidinium Derivative‐Based Ionic Liquid Achieves Defect Passivation for Efficient Perovskite Solar Cells Exceeding 23%
Authors: Shang Xueni , He Zijie , Ding Jike , Li Mengjia , Zhang Zuolin , Meng Fanbin , Chen Cong
Published: March 2024

In the rapidly developing field of photovoltaics, organic–inorganic metal halide perovskites are outstanding for their exceptional power conversion efficiencies (PCE), exceeding 26%. However, the full potential of these materials is often undermined by the prevalence of defects within their structure and at the grain surfaces, leading to significant nonradiative recombination losses. To meet this critical challenge, this study introduces a novel strategy involving a pyrrolidinium derivative and tetrafluoroborate ionic liquid, specifically 2‐pyrrolidin‐1‐ium‐1‐ethylammonium tetrafluoroborate (PyE(BF4)2), as an additive in the perovskite precursor. This approach aims to meticulously control crystallization processes and effectively passivate defects on the surface and grain boundaries of the perovskite. The formation of N─H…I− hydrogen bonds and strong ionic interactions, PyE(BF4)2 not only stabilizes the [PbI6]4− framework but also optimizes the valence band alignment with the hole transport layer. Empirical results demonstrate that perovskite solar cells modified with PyE(BF4)2 have achieved a notable PCE of 23.80% and remarkable stability exceeding 1300 h under standard testing protocols (ISOS‐V‐1). The findings emphasize the transformative potential of multifunctional ionic liquids in enhancing the performance and durability of perovskite‐based photovoltaic devices, marking a significant step forward in pursuing sustainable and efficient solar energy solutions.
Erarbeitung europäischer Bemessungsvorschriften für wiederverwendete Stahlbauteile
Authors: Feldmann Markus , Bartsch Helen , Eyben Felix
Published: March 2024

Solange die Stahlherstellung noch nicht umfassend CO2‐neutral erfolgt, sind alternative Wege des klimaneutralen Bauens mit Stahl zu erforschen und auszubauen. Dazu gehört in Abgrenzung zum Recycling des Werkstoffs und zur Ertüchtigung von alten Stahlbauten die Wiederverwendung von Stahlbauteilen. Während in einigen europäischen Ländern gebrauchte Stahlbauteile bereits gehandelt und regelmäßig verbaut werden, ist das in Deutschland noch nicht so. Ursache hierfür sind fehlende Regeln, nicht nur auf der technisch‐wissenschaftlichen Seite, sondern auch im Bereich der Regulierung. Denn es fehlen Vorgaben für einen Markt mit gehandelten Bauprodukten überhaupt. Dabei bietet sich die Wiederverwendung von Stahlbauteilen besonders an, denn sie sind leicht zu demontieren, zu lagern und flexibel wieder einbaubar. Grundsätzlich steht der technischen Regelung gebrauchter Stahlbauteile in einem neuen Bauwerkskontext nichts entgegen. So wird derzeit für Abbruch und Verarbeitung ein weiterer Anhang zur DIN EN 1990‐2 erarbeitet. Für die Bemessung wiederverwendeter Stahlbauteile, und darauf geht der Aufsatz mit der Durchleuchtung von Randbedingungen, der Konzeption und der Vorgehensweise ein, ist eine Ad‐hoc‐Gruppe in CEN/TC250/SC3 gegründet worden, die Vorschläge für ergänzende Bemessungsregeln erarbeitet. Auch dies wird in diesem Beitrag angesprochen, ebenso wie die Anknüpfung der Regeln an die DIN EN 1990‐2, in die die Spezifikationen der derzeitigen CEN/TS 17440 übernommen werden.
Macrosynthetic fibers as replacement of conventional steel reinforcement for concrete of partition walls
Authors: Fernández Ruiz Miguel , Redaelli Dario , Nogales Arroyo Alejandro , Monserrat‐López Andrea , Bourqui Didier , de la Fuente Antequera Albert
Published: March 2024

Conventional reinforced concrete for building partition walls has proven numerous advantages (in terms for instance of acoustic performance and robustness) with respect to other existing alternatives. However, its use leads to high material consumption and environmental footprint together with time‐consuming processes for placing steel reinforcement. To reduce time‐consuming processes and carbon footprint, the replacement of ordinary steel reinforcement by structural macrofibers is envisioned as a suitable solution due to: (1) the acceptance of fiber reinforced concrete (FRC) for structural applications in various guidelines (as Annex L of FprEN 1992‐1‐1:2023, draft for future Eurocode 2) and (2) the fact that the amounts of fibers necessary to reach the required mechanical performance of the FRC for crack control are expected to be economically competitive. Additionally, within the spectra of types of macrofibers capable of efficiently reinforce concrete, macrosynthetic fibers (MSFs) were considered in this research due to their benefits in terms of durability performance and reduced environmental impact (potential to use cements with lower clinker content and reduced thickness of elements). Aiming at confirming both the constructability, casting procedure and structural performance of macrosynthetic fiber reinforced concrete (MSFRC) partition walls, these walls were constructed in a real building in Switzerland. In this article, the design process is presented as well as the associated MSFRC material and structural experimental programmes, conducted both in laboratory and on‐site. In addition, several FEM‐modeling considerations as well as quality control and construction aspects observed during the implementation process are raised. Finally, for reference purposes, a first approach to the economic and environmental impact (CO2eq‐based) of such MSFRC walls is presented.
Lysine specific demethylase 1 inhibits sodium arsenite activation of HSCs by regulating SESN2/AMPK/ULK1 signaling pathway activity
Authors: Zhang Yingwan , Tian Tian , Liang Cai , Wang Junli , Zhang Jiayuan , Tian Shanshan , Xie Rujia , Yang Ting , Han Bing
Published: March 2024

Lysine specific demethylase 1 (LSD1) is a histone demethylase that specifically catalyzes the demethylation of histone H3K4 (H3K4me1/2) and regulates gene expression. In addition, it can mediate the process of autophagy through its demethylase activity. Sestrin2 (SESN2) is a stress‐induced protein and a positive regulator of autophagy. In NaAsO2‐induced mouse fibrotic livers and activated hepatic stellate cells (HSCs), LSD1 expression is decreased, SESN2 expression is increased, and autophagy levels are also increased. Overexpression of LSD1 and silencing of SESN2 decreased the level of autophagy and attenuated the activation of HSCs induced by NaAsO2. LSD1 promoted SESN2 gene transcription by increasing H3K4me1/2 in the SESN2 promoter region. 3‐methyladenine (3‐MA) and chloroquine were used to inhibit autophagy of HSCs, and the degree of activation was also alleviated. Taken together, LSD1 positively regulates SESN2 by increasing H3K4me1/2 enrichment in the SESN2 promoter region, which in turn increases the level of autophagy and promotes the activation of HSCs. Our results may provide new evidence for the importance of LSD1 in the process of autophagy and activation of HSCs induced by arsenic poisoning. Increasing the expression and activity of LSD1 is expected to be an effective way to reverse the autophagy and activation of HSCs induced by arsenic poisoning.
A Fundamentally Wrong Premise and a Disservice to the Profession: Responding to “… What we Truly Know about the Teaching of Reading”
Authors: Goldenberg Claude
Published: March 2024

This article responds to a recent article “Stories Grounded in Decades of Research: What we Truly Know about the Teaching of Reading.”
Enhancing Reading and Writing Skills through Systematically Integrated Instruction
Authors: Kim Young‐Suk Grace , Zagata Elizabeth
Published: March 2024

Reading and writing are often taught separately. This article explores the crucial relations between these skills, emphasizing the importance of understanding the "what" and "why" to effectively plan the "how" of integrated reading–writing instruction. The Interactive Dynamic Literacy Model (Kim,Reading‐writing connections: Towards integrative literacy science. Springer;Journal of Learning Disabilities, 2022,55, 447), supported by empirical evidence, illustrates how reading and writing skills are interwoven, forming hierarchical, interactive, and dynamic relations, and advocates for integrated teaching to enhance the development of both skills. Understanding these relations is essential for educators to design comprehensive and effective literacy instruction that supports the development of both foundational and higher‐order reading and writing skills. We propose three principles for effective integrated reading‐writing instruction: (a) leveraging assessment data in reading and writing to inform effective integrated instruction; (b) ensuring the development of lower‐order skills while also supporting the development of higher‐order skills; and (c) making reading‐writing connections visible. Illustrative examples are provided.
Click, See, Do: Using Digital Scaffolding to Support Persuasive Writing Instruction for Emerging Bilingual Learners
Authors: Hutchison Amy , Evmenova Anya , Regan Kelley , Gafurov Boris
Published: March 2024

This article using a persuasive writing example to showcase how digital technologies can be used to support all students, especially emerging bilingual learners, as they learn genre‐specific norms for writing.
Making quantum chemistry compressive and expressive: Toward practical ab‐initio simulation
Authors: Yang Jun
Published: March 2024

Ab‐initio quantum chemistry simulations are essential for understanding electronic structure of molecules and materials in almost all areas of chemistry. A broad variety of electronic structure theories and implementations has been developed in the past decades to hopefully solve the many‐body Schrödinger equation in an approximate manner on modern computers. In this review, we present recent progress in advancing low‐rank electronic structure methodologies that rely on the wavefunction sparsity and compressibility to select the important subset of electronic configurations for both weakly and strongly correlated molecules. Representative chemistry applications that require the many‐body treatment beyond traditional density functional approximations are discussed. The low‐rank electronic structure theories have further prompted us to highlight compressive and expressive principles that are useful to catalyze idea of quantum learning models. The intersection of the low‐rank correlated feature design and the modern deep neural network learning provides new feasibilities to predict chemically accurate correlation energies of unknown molecules that are not represented in the training dataset. The results by others and us are discussed to reveal that the electronic feature sets from an extremely low‐rank correlation representation, which is very poor for explicit energy computation, are however sufficiently expressive for capturing and transferring electron correlation patterns across distinct molecular compositions, bond types and geometries.

This article is categorized under:

Electronic Structure Theory > Ab Initio Electronic Structure Methods

Software > Quantum Chemistry

Software > Simulation Methods
Designing a Dynamic Map of Circular Economy in the Tourism Sector of the Valencian Community
Authors: Carrascosa-Lopez Conrado , Perello-Marin M. Rosario , Carabal-Montagud María Ángeles
Published: March 2024

Adopting circular economy (CE) principles has become crucial for companies to sustain their competitive advantage. CE can be defined as an economic system that aims to eliminate waste and keep resources in continuous use, thereby minimizing the consumption of raw materials, energy usage, and environmental impact. Companies in the hospitality sector, especially small-medium-sized ones, face significant challenges when implementing CE strategies. Limited accessibility and comprehensibility of information on CE practices hinder the effective design and implementation of CE initiatives for these companies.

To overcome these difficulties, this chapter shows the development of a dynamic map that displays up-to-date and agile information about the circularity practices of companies in the tourism value chain. The main goal is to map the CE tourism value chain to get a more significant impact on local communities and tourists themselves. To be listed on the map, a company has to demonstrate that it has a sustainability certification or seal that includes some aspect of CE.

As a result, this map can facilitate the search for suppliers with a demonstrated concern and circular mentality to increase the circularity of the entire ecosystem.
Wine Tourism, Circular Economy Practices and Hospitality in the Spanish Wine Industry: The Case of Bodegas Casa Sicilia Wine Restaurant
Authors: Marco-Lajara Bartolomé , Martínez-Falcó Javier , Sánchez-García Eduardo , Millán-Tudela Luis A.
Published: March 2024

The objective of this research is to analyze the link between wine tourism, winery restaurant activity, circular economy practices, and sustainable performance in the Spanish wine context. In order to contrast the propositions put forward in the study, the single case method is employed. The results of the research show that wine tourism has a positive influence on the sustainable performance of the winery examined, with circular economy practices and hospitality activities moderating and mediating this link, respectively. The research may be useful, therefore, both for wine professionals who are considering developing and/or intensifying wine tourism in their wineries, as well as for academics who wish to delve deeper into the catalytic effects of this type of tourism.
Good Practices of Circular Economy in Tourism in Castellón
Authors: Serbanescu Andrei , Cháfer Luís Martínez , Fernández Teresa Martínez
Published: March 2024

This chapter examines the significance of circular economy (CE) in the context of the tourism industry in Castellón, Spain. Tourism plays a vital role in the country’s economy, contributing a substantial share to the GDP and generating employment opportunities. However, the environmental impact of tourism, including waste management and pollution, poses significant challenges. Adopting a CE approach becomes crucial in minimizing waste, optimizing resource utilization, and promoting sustainability. The chapter explores the concept of CE, its potential benefits, and its role in creating a more sustainable tourism model. It emphasizes the need for active participation from both producers and consumers to shift away from a linear economy mentality. The chapter also highlights the positive economic, environmental, and social outcomes associated with CE, including job creation and enhanced well-being. By showcasing good practices and a case study of a hotel in Castellón, this chapter aims to promote awareness and encourage the transition towards a fairer and more environmentally friendly tourism model.
Analytic decay width of the Higgs boson to massive bottom quarks at next-to-next-to-leading order in QCD
Authors: Wang Jian , Wang Yefan , Zhang Da-Jiang
Published: March 2024

Abstract

The Higgs boson decay to a massive bottom quark pair provides the dominant contribution to the Higgs boson width. We present an exact result for such a decay induced by the bottom quark Yukawa coupling with next-to-next-to-leading order (NNLO) QCD corrections. We have adopted the canonical differential equations in the calculation and obtained the result in terms of multiple polylogarithms. We also compute the contribution from the decay to four bottom quarks which consists of complete elliptic integrals or their one-fold integrals. The result in the small bottom quark mass limit coincides with the previous calculation using the large momentum expansion. The threshold expansion exhibits power divergent terms in the bottom quark velocity, which has a structure different from that in $${e}^{+}{e}^{-}\to t\overline{t }$$ but can be reproduced by computing the corresponding Coulomb Green function. The NNLO corrections significantly reduce the uncertainties from both the renormalization scale and the renormalization scheme of the bottom quark Yukawa coupling. Our result can be applied to a heavy scalar decay to a top quark pair.
Externalisierendes Problemverhalten mit Freund:innen im Jugendalter: Welche Rolle spielen Faktoren der emotionalen Unbeteiligtheit?
Authors: Schön Sara-Marie , Daseking Monika
Published: March 2024

Einleitung

Eine Erklärung dafür, dass Jugendliche externalisierendes Problemverhalten (regelverletzendes und dissoziales Verhalten) zeigen, sind affektive Beeinträchtigungen. Ein abgeflachter Affekt ist ein Kernmerkmal der Callous-Unemotional Traits (CU-Traits, dt.: emotionale Unbeteiligtheit). CU-Traits setzen sich aus den 3 Faktoren Callousness (Mangel an Empathie und Reue), Uncaring (gleichgültige Haltung ggü. der Erfüllung von Aufgaben und den Gefühlen anderer) und Unemotional (oberflächlicher oder abgeflachter Affekt) zusammen. Externalisierendes Problemverhalten findet im Jugendalter zumeist in Gruppen statt. Daher ist es wichtig, den Zusammenhang von CU-Traits und externalisierendem Problemverhalten zu betrachten, das explizit gemeinsam mit bzw. in Anwesenheit von Freund:innen gezeigt wird. Diese Perspektive fehlt bisher in der Forschung zu CU-Traits. Die vorliegende Studie hat das Ziel, diese Forschungslücke zu schließen.

Methode

Von N = 169 Jugendlichen (54 % weiblich; M = 14,95 Jahre) wurden im Zeitraum von Juni 2021 bis März 2023 Selbstberichtsdaten mit einer online oder handschriftlich ausfüllbaren Fragebogenbatterie erhoben, die neben CU-Traits (ICU) auch Einschätzungen zu regelbrechendem und dissozialem Verhalten mit Freund:innen (CBCL: YSR 11–18 R) enthielten.

Ergebnisse

Ausschließlich die Subskala Callousness trägt zur Erklärung von externalisierendem Problemverhalten mit Freund:innen bei (6 % Varianzaufklärung).

Diskussion

Die 3 Faktoren der CU-Traits sollten getrennt voneinander betrachtet werden. Außerdem scheint es bei der Untersuchung von externalisierendem Problemverhalten wichtig zu sein, ob es allein oder gemeinsam mit bzw. in Anwesenheit von Freund:innen gezeigt wird. Limitationen der Studie, Ideen für weiterführende Forschung und praktische Implikationen werden diskutiert.
Ice cage: new records and cryptic, isolated lineages in wingless snow flies (Diptera, Limoniidae: Chionea spp.) in German lower mountain ranges
Authors: Klesser Robert , Blick Theo , Fritze Michael-Andreas , Marten Andreas , Hemauer Michael , Kastner Laura , Höfer Hubert , Jäger Gero , Husemann Martin
Published: March 2024

In Earth’s history warm and cold periods have alternated. Especially, during the Pleistocene, the alternation between these different climatic conditions has led to frequent range expansions and retractions of many species: while thermophilic species dispersed during warm periods, cold adapted species retracted to cold refugia and vice versa. After the last Pleistocene cycle many cold adapted taxa found refuges in relict habitats in mountain ranges. One example for such a cold adapted relict is the flightless snow fly Chionea araneoides (Dalman, 1816). It can be found in lower mountain ranges of Central Europe exclusively in stone runs and stony accumulations which provide cold microclimates. Imagines develop only in winter. They have strongly restricted ranges and hence experienced strong isolation predicting that local populations may show local adaptation and hence also genetic differentiation. We investigated this for several middle mountain ranges of Germany using the COI barcoding gene. Our analyses revealed two distinct lineages, one in the Bavarian Forest and a second one in all other more northern locations up to Scandinavia. These lineages likely go back to post-Pleistocene isolation and should be studied in more detail in the future, also to confirm the taxonomic status of both lineages. Further, we confirmed former records of the species for Germany and report new records for the federal states of Saxony, Lower Saxony, Saxony-Anhalt and Thuringia. Finally, we provide the first evidence of two types of males for the species, a small and a larger male type.
Chemically derived quinary Cu2Co1–xNaxSnS4 photon absorber material and its photocatalytic application
Authors: Tumbul A. , Aslan E. , Göktaş A. , Mutlu I. H. , Arslan F. , Aslan F.
Published: March 2024

The solar absorbing materials attract attention for the opto-electronic device applications such as solar cells and photocatalysis. Interest in photocatalytic materials to clean up the wastewater has started to increase. Generally, semiconductors sensitive to UV region are used. However, most of the light from the sun is in the visible region. Cu2CoSnS4 is a promising material that exhibits superior photo-response in the visible regions with an appropriate band gap. In this study, Cu2CoSnS4 films were prepared by the sol–gel method. Cu2Co1–xNaxSnS4 was synthesized for the first time by partly substituting sodium with cobalt. With this approach, noticeable improvements were observed in the physical properties of the material. With the sodium replacement, the Cu2Co1–xNaxSnS4 exhibited high photocatalytic performance toward the degradation of methylene blue (MB) under visible-light irradiation. According to the results, Cu2CoSnS4 and Cu2Co1–xNaxSnS4 samples degraded the MB solution by degradation efficacy values of 89.69% and 94.57%, respectively, in a short time like 40 min under visible light. This study shows that the substitution of sodium boosted the degradation efficiency by 5.4%. For the Cu2CoSnS4 and Cu2Co1–xNaxSnS4 samples, the computed reaction rate constants are 0.059 min−1 and 0.077 min−1, respectively.
Balloon technologies for pulmonary vein isolation—12-month outcome and comparison of the novel radiofrequency balloon with the cryoballoon in patients with paroxysmal atrial fibrillation
Authors: van den Bruck Jan-Hendrik , Wörmann Jonas , Sultan Arian , Filipovic Karlo , Seuthe Katharina , Erlhöfer Susanne , Scheurlen Cornelia , Dittrich Sebastian , Schipper Jan-Hendrik , Lüker Jakob , Steven Daniel
Published: March 2024

Background

The cryoballoon (CB) has become a standard tool for pulmonary vein isolation (PVI), but the technology is limited in certain ways. A novel RF-balloon (Heliostar™, Biosense Webster, CA, USA) promises the advantages of a balloon technology in combination with 3D mapping.

Methods

To assess procedural data and outcome, all patients undergoing RF-balloon PVI were included and compared with data from consecutive patients undergoing CB PVI for paroxysmal AF.

Results

A total of 254 patients (63 ± 13 years, 54% male) were included: 30 patients undergoing RF-balloon and 224 patients CB PVI. Baseline parameters were comparable. Procedure duration (104.3 ± 35.3 min vs. 69.9 ± 23.1 min; p ≤ 0.001) and fluoroscopy time (16.3 ± 7.1 min vs. 11.6 ± 4.9 min; p ≤ 0.001) were longer using the RF-balloon; ablation time (43.5 ± 17.9 vs. 36.4 ± 15.6; p = 0.08) did not differ, and time-to-isolation (TTI) was shorter (18.2 ± 7.0 s vs. 62.8 ± 35.1 s; p ≤ 0.001). Second-generation RF-balloon cases showed shorter ablation time and TTI at comparable procedure duration and fluoroscopy time. One pericardial effusion occurred with the RF-balloon due to complicated transseptal access. During CB PVI in 4/224 patients (1.8%), a phrenic nerve palsy was observed. After 12 months, 78% of patients after RF-balloon and 81% of patients after CB PVI (p = 0.5) were free from atrial arrhythmias.

Conclusion

The RF-balloon was safe and effective. Compared with the CB, TTI was shorter, but procedure durations and fluoroscopy times were longer. This can be attributed to a learning curve and the initial necessity for separate 3D map preparation. Considering the results with the second-generation RF-balloon, more experience is needed to determine the potential benefits.

Graphical Abstract
A comprehensive multi-omics analysis identifies a robust scoring system for cancer-associated fibroblasts and intervention targets in colorectal cancer
Authors: Wang Feng , Li Zhenlin , Xu Tianlei , Zhang Qian , Ma Tianyi , Li Sijia , Wang Xiaohui
Published: March 2024

Background

Cancer-associated fibroblasts (CAF) play a critical role in promoting tumor growth, metastasis, and immune evasion. While numerous studies have investigated CAF, there remains a paucity of research on their clinical application in colorectal cancer (CRC).

Methods

In this study, we collected differentially expressed genes between CAF and normal fibroblasts (NF) from previous CRC studies, and utilized machine learning analysis to differentiate two distinct subtypes of CAF in CRC. To enable practical application, a CAF-related genes (CAFGs) scoring system was developed based on multivariate Cox regression. We then conducted functional enrichment analysis, Kaplan–Meier plot, consensus molecular subtypes (CMS) classification, and Tumor Immune Dysfunction and Exclusion (TIDE) algorithm to investigate the relationship between the CAFGs scoring system and various biological mechanisms, prognostic value, tumor microenvironment, and response to immune checkpoint blockade (ICB) therapy. Moreover, single-cell transcriptomics and proteomics analyses have been employed to validate the significance of scoring system-related molecules in the identity and function of CAF.

Results

We unveiled significant distinctions in tumor immune status and prognosis not only between the CAF clusters, but also across high and low CAFGs groups. Specifically, patients in CAF cluster 2 or with high CAFGs scores exhibited higher CAF markers and were enriched for CAF-related biological pathways such as epithelial–mesenchymal transition (EMT) and angiogenesis. In addition, CAFGs score was identified as a risk index and correlated with poor overall survival (OS), progression-free survival (PFS), disease-free survival (DFS), and recurrence-free survival (RFS). High CAFGs scores were observed in patients with advanced stages, CMS4, as well as lymphatic invasion. Furthermore, elevated CAFG scores in patients signified a suppressive tumor microenvironment characterized by the upregulation of programmed death-ligand 1 (PD-L1), T-cell dysfunction, exclusion, and TIDE score. And high CAFGs scores can differentiate patients with lower response rates and poor prognosis under ICB therapy. Notably, single-cell transcriptomics and proteomics analyses identified several molecules related to CAF identity and function, such as FSTL1, IGFBP7, and FBN1.

Conclusion

We constructed a robust CAFGs score system with clinical significance using multiple CRC cohorts. In addition, we identified several molecules related to CAF identity and function that could be potential intervention targets for CRC patients.
Metal oxide-based gas sensor array for VOCs determination in complex mixtures using machine learning
Authors: Singh Shivam , S Sajana , Varma Poornima , Sreelekha Gajje , Adak Chandranath , Shukla Rajendra P. , Kamble Vinayak B.
Published: March 2024

Detection of volatile organic compounds (VOCs) from the breath is becoming a viable route for the early detection of diseases non-invasively. This paper presents a sensor array of 3 component metal oxides that give maximal cross-sensitivity and can successfully use machine learning methods to identify four distinct VOCs in a mixture. The metal oxide sensor array comprises NiO-Au (ohmic), CuO-Au (Schottky), and ZnO–Au (Schottky) sensors made by the DC reactive sputtering method and having a film thickness of 80–100 nm. The NiO and CuO films have ultrafine particle sizes of < 50 nm and rough surface texture, while ZnO films consist of nanoscale platelets. This array was subjected to various VOC concentrations, including ethanol, acetone, toluene, and chloroform, one by one and in a pair/mix of gases. Thus, the response values show severe interference and departure from commonly observed power law behavior. The dataset obtained from individual gases and their mixtures were analyzed using multiple machine learning algorithms, such as Random Forest (RF), K-Nearest Neighbor (KNN), Decision Tree, Linear Regression, Logistic Regression, Naive Bayes, Linear Discriminant Analysis, Artificial Neural Network, and Support Vector Machine. KNN and RF have shown more than 99% accuracy in classifying different varying chemicals in the gas mixtures. In regression analysis, KNN has delivered the best results with an R2 value of more than 0.99 and LOD of 0.012 ppm, 0.015 ppm, 0.014 ppm, and 0.025 ppm for predicting the concentrations of acetone, toluene, ethanol, and chloroform, respectively, in complex mixtures. Therefore, it is demonstrated that the array utilizing the provided algorithms can classify and predict the concentrations of the four gases simultaneously for disease diagnosis and treatment monitoring.

Graphical Abstract
Exploring Jahn-Teller distortions: a local vibrational mode perspective
Authors: Quintano Mateus , Moura Renaldo T. , Kraka Elfi
Published: March 2024

The characterization of normal mode (CNM) procedure coupled with an adiabatic connection scheme (ACS) between local and normal vibrational modes, both being a part of the Local Vibrational Mode theory developed in our group, can identify spectral changes as structural fingerprints that monitor symmetry alterations, such as those caused by Jahn-Teller (JT) distortions. Employing the PBE0/Def2-TZVP level of theory, we investigated in this proof-of-concept study the hexaaquachromium cation case, $$[\text {Cr}{(\text {OH}_{2})}_{6}]^{3+}$$

[
Cr

(

OH
2

)

6

]

3
+

/$$[\text {Cr}(\text {OH}_{2})_{6}]^{2+}$$

[
Cr

(

OH
2

)

6

]

2
+

, as a commonly known example for a JT distortion, followed by the more difficult ferrous and ferric hexacyanide anion case, $$[\text {Fe}{(\text {CN})}_{6}]^{4-}$$

[
Fe

(
CN
)

6

]

4
-

/$$[\text {Fe}{(\text {CN})}_{6}]^{3-}$$

[
Fe

(
CN
)

6

]

3
-

. We found that in both cases CNM of the characteristic normal vibrational modes reflects delocalization consistent with high symmetry and ACS confirms symmetry breaking, as evidenced by the separation of axial and equatorial group frequencies. As underlined by the Cremer-Kraka criterion for covalent bonding, from $$[\text {Cr}{(\text {OH}_{2})}_{6}]^{3+}$$

[
Cr

(

OH
2

)

6

]

3
+

to $$[\text {Cr}{(\text {OH}_{2})}_{6}]^{2+}$$

[
Cr

(

OH
2

)

6

]

2
+

there is an increase in axial covalency whereas the equatorial bonds shift toward electrostatic character. From $$[\text {Fe}{(\text {CN})}_{6}]^{4-}$$

[
Fe

(
CN
)

6

]

4
-

to $$[\text {Fe}{(\text {CN})}_{6}]^{3-}$$

[
Fe

(
CN
)

6

]

3
-

we observed an increase in covalency without altering the bond nature. Distinct $$\pi $$
π
back-donation disparity could be confirmed by comparison with the isolated $$\text {CN}^{-}$$

CN
-

system. In summary, our study positions the CNM/ACS protocol as a robust tool for investigating less-explored JT distortions, paving the way for future applications.

Graphical abstract

The adiabatic connection scheme relates local to normal modes, with symmetry breaking giving rise to axial and equatorial group local frequencies