bluuebunny/crossref_metadata_2025_split huggingface dataset:
Direct Visualization of Confinement and Many‐Body Correlation Effects in 2D Spectroscopy of Quantum Dots
Authors: Amarotti Edoardo , Wang Zhengjun , Hedse Albin , Lenngren Nils , Žídek Karel , Zheng Kaibo , Zigmantas Donatas , Pullerits Tõnu 
Published: February 2024

AbstractThe size tunable color of colloidal semiconductor quantum dots (QDs) is probably the most elegant illustration of the quantum confinement effect. As explained by the simple “particle‐in‐a‐box” model, the transition energies between the levels increase when the “box” becomes smaller. To investigate quantum confinement effects, typically a well‐defined narrow size distribution of the nanoparticles is needed. In this contribution, how coherent electronic two‐dimensional spectroscopy (2DES) can directly visualize the quantum size effect in a sample with broad size distribution of QDs is demonstrated. The method is based on two features of the 2DES – the ability to resolve inhomogeneous broadening and the capability to reveal correlations between the states. In QD samples, inhomogeneous spectral broadening is mainly caused by the size distribution and leads to elongated diagonal peaks of the spectra. Since the cross peaks correlate the energies of two states, they allow drawing conclusions about the size dependence of the corresponding states. It is also found that the biexciton binding energy changes between 3 and 8 meV with the QD size. Remarkably, the size dependence is non‐monotonic with a clear minimum.
An Overview of Advancements and Technologies in Vascularization Strategies for Tumor‐On‐A‐Chip Models
Authors: Parihar Pratibha , Sunildutt Naina , Rahim Chethikkattuveli Salih Abdul , Samantasinghar Anupama , Lim Jong Hwan , Choi Kyung Hyun 
Published: February 2024

AbstractVascularized tumor on a chip (VToC) entail emulating intricate microvascular networks like those observed in tumors through microfluidic devices, which are meticulously designed to offer a faithful representation of cancer in vitro, exploration of tumor biology, evaluation of drug efficacy, and anticipation of patient responses to therapies. Compared to conventional ones, VToC systems hold advantages by creating a milieu where physiological conditions for investigating tumor–host interactions are pivotal in tumor advancement/therapy resilience. Nevertheless, VToC models confront limitations encompassing vascular network replication, biological fidelity, mechanical/chemical integrity, and intricacies of architectural design. Thus, drawbacks inherent to prevailing VToC models’ intricacies, attributes, and vascular network establishment are imperative. This systematic review focuses on the recent advancements, technologies explored for incorporating VToC models, and vascularization approaches for investigation, and factors/parameters affecting complex tumor microenvironments in VToC models, along with the futuristic approach for the design strategies, fabrication techniques, understanding of vascular network, also VToC models with spheroid. A comprehensive analysis of VToC based on their limitations for a practical approach highlights the promising strategies for possible applications. This will be essential regarding a complete overview of VToC models and the future direction toward developing efficient VToC models compared to the state‐of‐the‐art VToC.
Exploring Trans Effect Concept in Pt(II) Complexes through the Quantum Theory of Atoms in Molecules and Chemical Bond Overlap Model Perspectives
Authors: Santos‐Jr Carlos V. , Da Silva Gabriela M. B. , Dias Roberta P. , Moura Renaldo T. , Da Silva Júlio C. S. 
Published: February 2024

AbstractThis study utilizes Density Functional Theory (DFT) alongside the Chemical Bond Overlap (OP) Model and Quantum Theory of Atoms in Molecules (QTAIM) to reinterpret the well‐established trans effect in square‐planar Pt(II) complexes. Investigating ligand exchange mechanisms in trans‐[()T] (T = , , , , CO, ) via transition state localization and intrinsic reaction coordinate calculations, overlap descriptors (OP/TOP) such as density, repulsion, and polarizability are computed for Pt−T and Pt−L bonds for reactants and transition states. Through OP/TOP and QTAIM, key descriptors correlating are identified with the trans‐directing effectiveness of ligands, revealing higher electron density donation and more electron‐rich bonds in stronger trans‐directing ligands. This combined methodology offers insights into ligand trans‐directing character, enhancing understanding of their reactivity and bonding behavior.
Enantioselective Vinylogous Mukaiyama‐Michael Reaction of Silyl Ketene Acetals to α,β‐Unsaturated 2‐Acyl Imidazoles to Construct 1,7‐dioxo Compounds
Authors: Gill Mamta , Das Arko , Singh Vinod K. 
Published: February 2024

AbstractThe synthesis of chiral 1,7‐dioxo compounds via Sc(III)‐pybox catalyzed vinylogous Mukaiyama‐Michael reaction of vinyl ketene silyl acetals with α,β‐unsaturated 2‐acyl imidazoles has been described. This innovative approach to the formation of chiral 1,7‐dioxo compounds illustrates excellent regio‐, and enantioselectivities, demonstrating a broad substrate scope. So far, to the best of our knowledge, this is the first example of a metal‐catalyzed asymmetric vinylogous Mukaiyama‐Michael reaction using vinyl ketene silyl acetals.
Natural Polymer‐Based Materials for Wound Healing Applications
Authors: Ho Trinh Thi‐Phuong , Tran Hien A. , Doan Vinh Khanh , Maitz Joanneke , Li Zhe , Wise Steven G. , Lim Khoon S. , Rnjak‐Kovacina Jelena 
Published: February 2024

Skin injuries pose significant health challenges, with conditions like burns and diabetic, venous, and pressure ulcers presenting complex wound management scenarios. Effective wound care strategies for these injuries encompass a range of interventions, from simple wound dressings to bioactive materials and surgical procedures involving skin substitutes and skin grafting. This review explores the potential of natural polymers, including silk, collagen, gelatin, elastin, cellulose, chitosan, alginate, and hyaluronic acid, in wound management. Natural polymers offer several advantages, including abundance, biodegradability, and compatibility with traditional and modern material fabrication techniques, and have demonstrated safety and efficacy in clinical applications, modulating various facets of the wound healing process. Highlighting preclinical and clinical studies, along with commercial products, this review showcases the versatility and utility of natural polymers in wound management and provides insights into emerging developments, such as 3D bioprinting and stimuli‐responsive materials, which hold promise for personalized wound treatments. Additionally, we discuss the importance of the material format and morphology in engineering the next generation of wound dressings and skin substitutes, offering a pathway to optimize natural polymers for enhanced wound healing outcomes.
To be alive or not to be alive: Radiocarbon data provide new perspective on species diversity in the Caspian Sea
Authors: Clewing Catharina , Albrecht Christian , Anistratenko Vitaliy V. , Anistratenko Olga Yu. , Wilke Thomas 
Published: February 2024

Abstract
The Caspian Sea is undergoing a severe biodiversity crisis. However, estimates of current extinction rates are difficult to obtain due to the lack of reliable pre‐Anthropocene baseline data. For example, because the majority of endemic gastropod species was described from “fresh looking” shells, it remains unclear which species still existed prior to the Anthropocene.
This study therefore used the species‐rich microgastropod family Hydrobiidae to assess the extent to which endemic species were collected alive during the Anthropocene. Literature and database searches were performed. In addition, 14C dating was conducted on “fresh looking” shells collected in the Caspian Sea during the last 150 years.
The literature review revealed that 75% of the “recent” species are only known from empty shells and 25% were recorded with a soft body. The 14C data showed that all “recent” specimens examined had an age between 1624 cal BC and 1888 cal AD. Two species studied predate the beginning of the Anthropocene. Two other species potentially or likely existed during the Anthropocene. This suggests that the number of endemic species still present at the beginning of the Anthropocene is lower than previously thought.
The data also suggest that there was a substantial loss of species between the late 18th century and the 1950s and that only two endemic hydrobiid species have recently been found alive. These findings further contribute to the notion of a severe biodiversity crisis in the Caspian Sea.
For accurate estimates of current extinction rates of Caspian Sea gastropods, pre‐Anthropocene biodiversity data need to be further corroborated. Particularly, studies are required to clarify the taxonomic status of the dubious taxa and a possible “collection crisis” in the Caspian Sea due to decreasing sampling efforts in recent decades. In addition, comprehensive IUCN assessments are urgently required.
Visible Light‐Induced Metal‐free Arylation of Coumarin‐3‐carboxylates with Arylboronic Acids
Authors: Banik Swarnayu , Saikiran Aita , Permula Prathyusha , Srivishnu K. S. , Sridhar B. , Reddy B. V. Subba 
Published: February 2024

AbstractThe present work represents a novel methodology for the selective arylation of coumarin‐3‐carboxylates with arylboronic acids via a photochemical route, marking the first‐ever attempt for the direct alkenyl C−H arylation using rose bengal as a photocatalyst, which is a readily available and cost‐effective alternative to transition metal catalysis. The reaction proceeds smoothly in MeOH/H2O solvent media in the presence of radical initiator affording the arylated products in good yields (60–80 %). The reaction parameters such as visible light, radical initiator, oxidant, anhydrous solvent, and inert atmosphere play a crucial role for the success of this methodology. The substituents present on the substrate show a significant effect on the conversion. This study provides a valuable contribution to the field of organic synthesis offering a new and efficient approach to the arylation of coumarin‐3‐carboxylic acid esters with a broad substrate scope and high functional group tolerance. It is a versatile method and provides a direct access to biologically relevant 4‐arylcoumarin‐3‐carboxylates.
Sodium‐Mediated Reductive C−C Bond Cleavage Assisted by Boryl Groups
Authors: Fukazawa Mizuki , Takahashi Fumiya , Kurogi Takashi , Yorimitsu Hideki 
Published: February 2024

AbstractIn contrast to the well‐established oxidative C=C double bond cleavage to give the corresponding carbonyl compounds, little is known about reductive C=C double bond cleavage. Here we report that C−C single bond cleavage in 1,2‐diaryl‐1,2‐diborylethanes proceeds by reduction with sodium metal to yield α‐boryl benzylsodium species. In combination with our previous reductive diboration of stilbenes, the overall transformation represents reductive cleavage of the C=C double bonds of stilbene to yield α‐boryl‐α‐sodiated toluenes. This reductive two‐step C=C double bond cleavage is applicable to ring‐opening or ring‐expansion reactions of polycyclic aromatic hydrocarbons.
In‐situ Polymerized Single Lithium‐ion Conducting Binder as an Integrated Strategy for High Voltage LNMO Electrodes
Authors: Olmedo‐González Jorge , Guzmán‐González Gregorio , Manzo‐Robledo Arturo , Ramírez‐Rosales Daniel , Arellano‐Ahumada Stephany N. , Vera‐Ramírez Marco A. , González Ignacio , de Guadalupe González‐Huerta Rosa , Ramos‐Sanchez Guadalupe 
Published: February 2024

AbstractInvited for this month's cover picture is the Electrochemical Energy laboratory at Universidad Autónoma Metropolitana Iztapalapa in Mexico City in collaboration with ESIQIE IPN and ESFM IPN. The front cover displays a schematic representation of the in‐situ preparation of the electrode using single‐ion‐conductive binders; this process results in reduced degradation of both the LMNO electrode and electrolyte. In the background, there is an image of the landmark mural entitled “Death of Ignorance and Transformation of Society” by A. Belkin, located at the premises of UAM‐I, the institute where the primary research was conducted. The mural picture and logos are used with the permission of UAM president. The graphic composition is credited to D.G. Liliana Hidalgo Sánchez de Tagle. Read the full text of the Research Article at 10.1002/batt.202300383.
Explainable deep learning enhances robust and reliable real‐time monitoring of a chromatographic protein A capture step
Authors: Medl Matthias , Leisch Friedrich , Dürauer Astrid , Scharl Theresa 
Published: February 2024

AbstractThe application of model‐based real‐time monitoring in biopharmaceutical production is a major step toward quality‐by‐design and the fundament for model predictive control. Data‐driven models have proven to be a viable option to model bioprocesses. In the high stakes setting of biopharmaceutical manufacturing it is essential to ensure high model accuracy, robustness, and reliability. That is only possible when (i) the data used for modeling is of high quality and sufficient size, (ii) state‐of‐the‐art modeling algorithms are employed, and (iii) the input‐output mapping of the model has been characterized. In this study, we evaluate the accuracy of multiple data‐driven models in predicting the monoclonal antibody (mAb) concentration, double stranded DNA concentration, host cell protein concentration, and high molecular weight impurity content during elution from a protein A chromatography capture step. The models achieved high‐quality predictions with a normalized root mean squared error of <4% for the mAb concentration and of ≈10% for the other process variables. Furthermore, we demonstrate how permutation/occlusion‐based methods can be used to gain an understanding of dependencies learned by one of the most complex data‐driven models, convolutional neural network ensembles. We observed that the models generally exhibited dependencies on correlations that agreed with first principles knowledge, thereby bolstering confidence in model reliability. Finally, we present a workflow to assess the model behavior in case of systematic measurement errors that may result from sensor fouling or failure. This study represents a major step toward improved viability of data‐driven models in biopharmaceutical manufacturing.
Correlation between the activation energy of PLA respectively PLA/starch composites and mechanical properties with regard to differ accelerated aging conditions
Authors: Reit Margarita , Zarges Jan‐Christoph , Heim Hans‐Peter 
Published: February 2024

AbstractWithin this research semi‐crystalline polylactide and composites with 50 wt.% native potato starch were compounded and injection molded. The material was mechanically characterized by tensile, three‐point bending, and Charpy impact tests. These tests were carried out in the freshly molded state and after 332 and 792 h of storage at accelerated temperature or humidity. The respective activation energy was calculated by applying the Flynn‐Wall‐Ozawa method. The focus of the study was to investigate the correlation between the activation energy and the related mechanical and thermal properties. The results showed that the addition of native potato starch as a filler prevents the decrease in activation energy over the course of the experiments. Thus, the PLA/starch composite is more resistant to the two aging conditions than the pure PLA. When considering the mechanical properties, the pure PLA showed a large deviation of results compared to the initial value in a range of +63.88% to −33.96% with regard to the respective aging conditions, whereas the PLA/starch composite properties nearly always remained at the initial values. Through the investigation of the mechanical and thermal properties, it was shown that the steady activation energies are consistent with the mechanical properties, as these have shown only a small deviation of the mechanical properties during the duration of experiments for the PLA/starch composite.
New‐onset systemic lupus erythematosus after BBIBP‐CorV vaccination
Authors: Pourkarim Fariba , Khani Elnaz , Ghadakchi Leila , Ebrahimian Sanaz 
Published: February 2024

Key Clinical MessageWhile reports of new‐onset systemic lupus erythematosus (SLE) after mRNA‐based COVID‐19 vaccines exist, no such reports have been documented following inactivated vaccines. We describe a case of SLE after receiving the BBIBP‐CorV vaccine. The patient exhibited characteristic SLE criteria, indicating a possible association between the inactivated vaccine and new‐onset SLE.
Understanding the Role of Additives on The Electrochemistry and Performance of Zn Energy Storage Devices
Authors: Bengoa L. N. , González‐Gil R. M. , Gómez‐Romero P. 
Published: February 2024

AbstractAs the interest in alternative Li‐based energy storage technologies increased during the last years, zinc emerged as a promising candidate. Despite several advantages over Li, Zn cycling stability is still a major issue. In this article, the use of near‐neutral electrolytes (non‐expensive 2 M ZnSO4) with the addition of different additives (dimethylsulfoxide and tetratethylammonium chloride) is proposed as a solution. The Zn deposition/dissolution electrochemistry has been evaluated and the cycling stability was determined in Zn//Zn symmetric coin‐cells. Hybrid supercapacitors were also assembled and tested in a range of 0.2 V–1.8 V for 2000 cycles, using activated carbon electrodes as cathode and Zn foil as anode. The results show that dimethylsulfoxide strongly inhibits the Zn deposition process, evidenced by a decrease in the cathodic current density, as well as in the dissolution peak. DMSO affects the deposition mechanism, whereas tetratethylammonium chloride reduces the exchange current density, consistent with the adsorption of tetraethylammonium ions on the Zn surface. A synergy between both additives leading to further inhibition of Zn2+ reduction is observed allowing cycling up to 250 hours for Zn//Zn devices. In addition, the performance of hybrid supercapacitors has also improved showing better capacity and extended cycle life.
Use of welding powder as a low‐cost adsorbent for waste motor oil removal
Authors: Eskikaya Ozan , Belibagli Pinar , Bouchareb Raouf , Isik Zelal , Dizge Nadir 
Published: February 2024

AbstractWaste motor oil (WMO), which has no stable form or structure, causes major environmental problems and damage to the ecosystem once it is disposed to the environment. Because of the high toxicity of contents in such effluent, it must be treated before being discharged into the receiving environment. In recent years, the valorization and the use of waste materials to remove toxic pollutants is of great importance to researchers and diverse industries. In this study, the usability of waste welding powder (WWP) as an adsorbent for waste oil removal was investigated. For this purpose, investigating the usability of material, which is generated as industrial waste, in wastewater treatment will lead to the evaluation of waste. The effects of temperature, pH, WWP amount, and initial WMO amount were investigated. According to the adsorption studies, 1 g WWP/L of the processed adsorbent was able to effectively remove 95.05% of WMO (100 mg) at a pH of 2 at 30°C. Stereo microscopy images showed a large amount of oil adsorbed on the WWP surface. The different WWP properties were determined by adsorption isotherm (Harkins–Jura), kinetic (pseudo‐second order), and thermodynamic (ΔG: −5.1 kJ mol–1) experiments. It is thought that WWP, which is a low‐cost and waste material, can be used as a promising adsorbent in WMO removal.
A pattern‐based tool to support companies in sustainability‐oriented business strategies: grounded theory research in agribusiness
Authors: Latino Maria Elena , Menegoli Marta , De Lorenzi Maria Chiara 
Published: February 2024

AbstractSustainability is an issue that echoes in our daily lives, leading to a new post‐COVID‐19 crisis trend: sustainable business. Sustainability encompasses environmental, social, and economic aspects are reflected in corporate organizational practices and sustainable business models. Despite this, integrating sustainability into business practices presents a challenge. As indicated by the literature review, 90% of the existing sustainable business models are partially capable of covering the three dimensions of sustainability. This study proposes a pattern‐based tool to support companies in the implementation of sustainability‐oriented business strategies emerging from a grounded theory research in agribusiness. The proposed pattern‐based tool maps the current sustainable business models, the material topics, and Global Reporting Initiatives that a company can adopt to implement sustainability strategies. Sustainable business models came from literature review, material topics and GRIs were identified analyzing 107 European agribusiness companies. The proposed pattern‐based tool, can be explored through three patterns designed to implement economic, social, and environmental sustainability strategies. It was applied in a case study to better demonstrate how to use the proposed tool in the practice. Discussions and implications for academia and agribusinesses are provided.
Dynamic Restructuring of Cu7S4/Cu for Efficient CO2 Electro‐reduction to Formate
Authors: Yang Rui , Zheng Xiaozhong , Fu Hao , Cao Xinyue , Hu Yangguang , Huang Yiyin 
Published: February 2024

AbstractOptimized catalytic properties and reactant adsorption energy played a crucial role in promoting CO2 electrocatalysis. Herein, Cu7S4/Cu underwent in situ dynamic restructuring to generate S−Cu2O/Cu hybrid catalyst for effective electrochemical CO2 reduction to formate that outperformed Cu2O/Cu and Cu7S4. Thermodynamic and in situ Raman spectra revealed that the optimized adsorption of the HCOO* intermediate on S−Cu2O/Cu was regulated and the H2 pathway (surface H) was suppressed by S‐doping. Meanwhile, Cu7S4/Cu nanoflowers created abundant boundaries for ECR and strengthened the CO2 adsorption by inducing Cu. These findings provide a new perspective on synthetic methods for various electrocatalytic reduction processes.