bluuebunny/crossref_metadata_2025_split huggingface dataset:
Elevating Discharge Voltage of Li2CO3‐Routine Li−CO2 Battery over 2.9 V at an Ultra‐Wide Temperature Window
Authors: Zhao Ning , Liu Limin , Lu Xuan , Li Yuyang , Wu Xiaosha , Peng Shaochen , Wei Jingwen , Gao Yang , Zhang Hanqi , Fan Yiming , Yin Zicheng , Feng Rongfen , Wang Ru , Hu Xiaofei , Ding Shujiang , Liu Wenfeng 
Published: June 2024

AbstractThe Li−CO2 batteries utilizing greenhouse gas CO2 possess advantages of high energy density and environmental friendliness. However, these batteries following Li2CO3‐product route typically exhibit low work voltage (<2.5 V) and energy efficiency. Herein, we have demonstrated for the first time that cobalt phthalocyanine (CoPc) as homogeneous catalyst can elevate the work plateau towards 2.98 V, which is higher than its theoretical discharge voltage without changing the Li2CO3‐product route. This unprecedented discharge voltage is illustrated by mass spectrum and electrochemical analyses that CoPc has powerful adsorption capability with CO2 (−7.484 kJ mol−1) and forms discharge intermediate of C33H16CoN8O2. Besides high discharge capacity of 18724 mAh g−1 and robust cyclability over 1600 hours (1000 mAh g−1 cut‐off) at a current density of 100 mA g−1, the batteries show high temperature adaptability (−30–80 °C). Our work is paving a promising avenue for the progress of high‐efficiency Li−CO2 batteries.
Copper‐Induced Supramolecular Peptide Assemblies for Multi‐Pathway Cell Death and Tumor Inhibition
Authors: Zhang Xiangyang , Zhang Buyue , Zhang Ying , Ding Yinghao , Zhang Zhenghao , Liu Qian , Yang Zhimou , Wang Ling , Gao Jie 
Published: June 2024

AbstractAlthough self‐assembly has emerged as an effective tool for fabricating biomaterials, achieving precise control over the morphologies and functionalities of the resultant assemblies remains an ongoing challenge. Inspired by the copper peptide naturally present in human plasma, in this study, we designed a synthetic precursor, FcGH. FcGH can self‐assemble via two distinct pathways: spontaneous and Cu2+‐induced. These two assembly pathways enabled the formation of assemblies with tunable morphologies by adjusting the amount of added Cu2+. We found that the nanoparticles formed by Cu2+‐induced self‐assembly exhibited a significantly higher cellular uptake efficiency than the wormlike fibers formed spontaneously. Moreover, this Cu2+‐induced assembly process occurred spontaneously at a 1 : 1 molar ratio of Cu2+ to FcGH, avoiding the excessive use of Cu2+ and a tedious preparation procedure. By co‐assembling with 10‐hydroxycamptothecin (HCPT)‐conjugated FcGH, Cu2+‐induced supramolecular nanodrugs elicited multiple cell death modalities in cancer cells with elevated immunogenicity, enhancing the therapeutic effect compared to free HCPT. This study highlights Cu2+‐induced self‐assembly as an efficient tool for directing the assembly of nanodrugs and for synergistic tumor therapy.
Chemical‐based Hydrogen Storage Systems: Recent Developments, Challenges, and Prospectives
Authors: Ali Shahid , Abbas Noreen , Khan Safyan Akram , Malik Imran , Mansha Muhammad 
Published: June 2024

AbstractHydrogen (H2) is being acknowledged as the future energy carrier due to its high energy density and potential to mitigate the intermittency of other renewable energy sources. H2 also ensures a clean, carbon‐neutral, and sustainable environment for current and forthcoming generations by contributing to the global missions of decarbonization in the transportation, industrial, and building sectors. Several H2 storage technologies are available and have been employed for its secure and economical transport. The existing H2 storage and transportation technologies like liquid‐state, cryogenic, or compressed hydrogen are in use but still suffer from significant challenges regarding successful realization at the commercial level. These factors affect the overall operational cost of technology. Therefore, H2 storage demands novel technologies that are safe for mobility, transportation, long‐term storage, and yet it is cost‐effective. This review article presents potential opportunities for H2 storage technologies, such as physical and chemical storage. The prime characteristics and requirements of H2 storage are briefly explained. A detailed discussion of chemical‐based hydrogen storage systems such as metal hydrides, chemical hydrides (CH3OH, NH3, and HCOOH), and liquid organic hydrogen carriers (LOHCs) is presented. Furthermore, the recent developments and challenges regarding hydrogen storage, their real‐world applications, and prospects have also been debated.
Using ex vivo bioengineered lungs to model pathologies and screening therapeutics: A proof‐of‐concept study
Authors: Ahmadipour Mohammadali , Prado Jorge Castilo , Hakak‐Zargar Benyamin , Mahmood Malik Quasir , Rogers Ian M. 
Published: June 2024

AbstractRespiratory diseases, claim over eight million lives annually. However, the transition from preclinical to clinical phases in research studies is often hindered, partly due to inadequate representation of preclinical models in clinical trials. To address this, we conducted a proof‐of‐concept study using an ex vivo model to identify lung pathologies and to screen therapeutics in a humanized rodent model. We extracted and decellularized mouse heart‐lung tissues using a detergent‐based technique. The lungs were then seeded and cultured with human cell lines (BEAS‐2B, A549, and Calu3) for 6−10 days, representing healthy lungs, cancerous states, and congenital pathologies, respectively. By manipulating cultural conditions and leveraging the unique characteristics of the cell lines, we successfully modeled various pathologies, including advanced‐stage solid tumors and the primary phase of SARS‐CoV‐2 infection. Validation was conducted through histology, immunofluorescence staining, and pathology analysis. Additionally, our study involved pathological screening of the efficacy and impact of key anti‐neoplastic therapeutics (Cisplatin and Wogonin) in cancer models. The results highlight the versatility and strength of the ex vivo model in representing crucial lung pathologies and screening therapeutics during the preclinical phase. This approach holds promise for bridging the gap between preclinical and clinical research, aiding in the development of effective treatments for respiratory diseases, including lung cancer.
In vitro degradation, swelling, and bioactivity performances of in situ forming injectable chitosan‐matrixed hydrogels for bone regeneration and drug delivery
Authors: Kocak Fatma Zehra , Yar Muhammad , Rehman Ihtesham U. 
Published: June 2024

AbstractInjectable, tissue mimetic, bioactive, and biodegradable hydrogels offer less invasive regeneration and repair of tissues. The monitoring swelling and in vitro degradation capacities of hydrogels are highly important for drug delivery and tissue regeneration processes. Bioactivity of bone tissue engineered constructs in terms of mineralized apatite formation capacity is also pivotal. We have previously reported in situ forming chitosan‐based injectable hydrogels integrated with hydroxyapatite and heparin for bone regeneration, promoting angiogenesis. These hydrogels were functionalized by glycerol and pH to improve their mechano‐structural properties. In the present study, functionalized hybrid hydrogels were investigated for their swelling, in vitro degradation, and bioactivity performances. Hydrogels have degraded gradually in phosphate‐buffered saline (PBS) with and without lysozyme enzyme. The percentage weight loss of hydrogels and their morphological and chemical properties, and pH of media were analyzed. The swelling ratio of hydrogels (55%–68%(wt), 6 h of equilibrium) indicated a high degree of cross‐linking, can be suitable for controlled drug release. Hydrogels have gradually degraded reaching to 60%–70% (wt%) in 42 days in the presence and absence of lysozyme, respectively. Simulated body fluid (SBF)‐treated hydrogels containing hydroxyapatite‐induced needle‐like carbonated‐apatite mineralization was further enhanced by heparin content significantly.
Causal relationship between PCSK9 inhibitor and common neurodegenerative diseases: A drug target Mendelian randomization study
Authors: Huang Qiang , Zhang Qin , Cao Bei 
Published: June 2024

AbstractBackgroundIn addition to lowering cholesterol levels, the proprotein convertase subtilis kexin 9 (PCSK9) inhibitor has a variety of effects, including anti‐neuroapoptosis. However, the effects of PCSK9 inhibitors on neurodegenerative diseases are controversial. Therefore, we used drug‐targeted Mendelian randomization (MR) analysis to investigate the effects of PCSK9 inhibitors on different neurodegenerative diseases.MethodsWe collected single nucleotide polymorphisms (SNPs) of PCSK9 from published statistics of genome‐wide association studies and performed drug target MR analyses to detect a causal relationship between PCSK9 inhibitors and the risk of neurodegenerative diseases. We utilized the effects of 3‐Hydroxy ‐3‐ methylglutaryl‐assisted enzyme A reductase (HMGCR) inhibitors (statin targets) for comparison with PCSK9 inhibitors. Coronary heart disease risk was used as a positive control, and primary outcomes included amyotrophic lateral sclerosis (ALS), Parkinson's disease (PD), and Alzheimer's disease (AD).ResultsPCSK9 inhibitors marginally reduced the risk of ALS (OR [95%] = 0.89 [0.77 to 1.00], p = 0.048), while they increased the risk of PD (OR [95%] = 1.417 [1.178 to 1.657], p = 0.004). However, HMGCR inhibitors increased the risk of PD (OR [95%] = 1.907 [1.502 to 2.312], p = 0.001).ConclusionPCSK9 inhibitors significantly reduce the risk of ALS but increase the risk of PD. HMGCR inhibitors may be the risk factor for PD.
The role of BACP in maximising the potential of counselling and psychological therapies research in the UK: Benefitting clients, communities, and societies
Authors: Barkham Michael , Charura Divine , Cooper Mick , Gabriel Lynne , Hanley Terry , McLeod John , Moller Naomi , Reeves Andrew , Smith Kate 
Published: June 2024

AbstractThe British Association for Counselling and Psychotherapy (BACP) is the largest professional membership body within the field of counselling and psychological therapies in the UK, but there is a mismatch between its membership of >65,000 and its research impact. This article sets out a potential strategic direction as considered by an informal grouping of researchers and teachers in the field. Actionable research plans are outlined at three levels: client–practitioner, local communities, and societies. At the client–practitioner level, data‐informed practice can be readily implemented as a therapeutic aid akin to supervision, providing the potential for integrating research into everyday practice. At the community level, interdisciplinary collaborations together with a focus on equality, diversity, and inclusiveness are paths to building a community of researchers and citizens that includes marginalised populations. The importance of social justice extends to the societal level, connecting with politics at a micro and macro level, and engaging internationally to respond to actual threats (e.g., climate change). Across these three levels, high value is placed on data with its potential for informing and improving practice, but also enhancing the lives of people in communities and societies. Overall, research strategies need to be collaborative (i.e., collegial) and less singular (i.e., individually project‐based), developing cumulative knowledge around specific topics via a ‘capture and build’ strategy for small projects with strategic oversight by BACP. Clarity of research strategy combined with collaborative and collective action from BACP and leaders in the field can help realise the full potential of BACP's research capacity.
Profiling Cellular Morphological Changes Induced by Dual‐Targeting PROTACs of Aurora Kinase and RNA‐Binding Protein YTHDF2
Authors: Goebel Georg L. , Giannino Nicole , Lampe Philipp , Qiu Xiaqiu , Schloßhauer Jeffrey L. , Imig Jochen , Sievers Sonja , Wu Peng 
Published: June 2024

AbstractProteolysis targeting chimeras (PROTACs) are new chemical modalities that degrade proteins of interest, including established kinase targets and emerging RNA‐binding proteins (RBPs). Whereas diverse sets of biochemical, biophysical and cellular assays are available for the evaluation and optimizations of PROTACs in understanding the involved ubiquitin−proteasome‐mediated degradation mechanism and the structure‐degradation relationship, a phenotypic method profiling the cellular morphological changes is rarely used. In this study, first, we reported the only examples of PROTACs degrading the mRNA‐binding protein YTHDF2 via screening of multikinase PROTACs. Second, we reported the profiling of cellular morphological changes of the dual kinase‐ and RBP‐targeting PROTACs using the unbiased cell painting assay (CPA). The CPA analysis revealed the high biosimilarity with the established aurora kinase cluster and annotated aurora kinase inhibitors, which reflected the association between YTHDF2 and the aurora kinase signaling network. Broadly, the results demonstrated that the cell painting assay can be a straightforward and powerful approach to evaluate PROTACs. Complementary to the existing biochemical, biophysical and cellular assays, CPA provided a new perspective in characterizing PROTACs at the cellular morphology.
Conjugating Hemoglobin and Albumin by Strain‐Promoted Azide‐ Alkyne Cycloaddition
Authors: Lee Chi , Chung Harriet Wenxin , Kluger Ronald 
Published: June 2024

AbstractA one‐to‐one conjugate of cross‐linked human hemoglobin and human serum albumin results from a strain‐promoted alkyne‐azide cycloaddition (SPAAC) of the modified proteins. Additions of a strained alkyne‐substituted maleimide to the Cys‐34 thiol of human serum albumin and an azide‐containing cross‐link between the amino groups of each β‐unit at Lys‐82 of human hemoglobin provide sites for coupling by the SPAAC process. The coupled hemoglobin‐albumin conjugate can be readily purified from unreacted hemoglobin. The oxygen binding properties of the two‐protein bioconjugate demonstrate oxygen affinity and cooperativity that are suitable for use in an acellular oxygen carrier.
The role of gut microbiota and the gut–lung axis in sepsis: A case study of a pregnant woman with severe rickettsial pneumonia and septic shock complicated by MODS
Authors: Qin Hongmei , Fu Yaoqing , Deng Caixia , Chen Yanxing , Huang Keming , Ruan Yiyang , Liu Ke 
Published: June 2024

Key Clinical MessageIn this case report, we describe the successful management of severe scrub typhus with pneumonia, sepsis, and multiple organ dysfunction in a pregnant woman. Despite initial challenges, the patient responded favorably to fecal microbiota transplantation and oral fecal microbiota capsule therapy.AbstractScrub typhus, caused by Orientia tsutsugamushi, can lead to severe multiorgan dysfunction and carries a mortality rate of up to 70% if not treated properly. In this report, we present the case of a 27‐year‐old pregnant woman at 18 + 6 weeks gestation whose symptoms worsened 15 days after onset and progressed to severe pneumonia with sepsis and multiple organ dysfunction syndrome. After the pathogen was confirmed by next‐generation sequencing analysis of bronchoalveolar‐lavage fluid and blood samples, the patient's treatment was switched to antiinfective chloramphenicol. The patient also underwent uterine evacuation due to a miscarriage. Extracorporeal membrane oxygenation was discontinued once the pulmonary infection significantly improved. Subsequently, the patient had recurrent diarrhea, abdominal distension, and difficulty eating. The antibiotic regimen was adjusted according to the drug sensitivity, but the diarrhea and abdominal distension still did not improve. Following a comprehensive multidisciplinary risk assessment, we initiated fecal microbiota transplantation and oral fecal microbiota capsule therapy. As a result, the patient's condition was effectively managed, and they were gradually discharged. Fecal microbiota transplantation may be a safe and effective treatment for severe pneumonia and shock in pregnant women. This has significant implications for maternal health. However, further clinical cases are required to observe its long‐term effectiveness.
Successful coronary sinus left ventricular lead extraction 9 years postimplantation using the wire ThRoUgh Snare Twice (wire TRUST) technique
Authors: Kasai Yuhei , Morita Junji , Haraguchi Takuya , Kitai Takayuki , Okada Takuya , Suzuki Kota , Yamazaki Ryuto , Munakata Yumetsugu , Kasai Jungo , Fujita Tsutomu 
Published: June 2024

Key Clinical MessageThe newly‐proposed tandem approach, Wire ThRoUgh Snare Twice (Wire TRUST) is effective for grasping a lead with inaccessible ends. This case report shows that Wire TRUST can also enable successful extraction of a left ventricular lead by iteratively grasping and repositioning to the distal portion of the lead.
Rhodium‐Catalyzed N‐Arylation Addition of Arylboronic Acids to Ketimines
Authors: Qian Xue‐Wei , Sun Xing‐Wen 
Published: June 2024

Comprehensive SummaryHerein, we report rhodium catalyzed N‐arylation via addition of arylboronic acids to electron‐deficient α‐iminoesters which can be prepared in high efficiency by using easily accessible β‐carbonyl esters. The reaction is highly regiospecific to achieve the N‐aryl addition efficiently with up to 99% yield under mild conditions. The corresponding product can be further efficiently converted into indoles and a series of other important building blocks.
Electronic Vector Potential from the Exact Factorization of a Complex Wavefunction
Authors: Giarrusso Sara , Gori‐Giorgi Paola , Agostini Federica 
Published: June 2024

AbstractWe generalize the definitions of local scalar potentials named
and
, which are relevant to properly describe phenomena such as molecular dissociation with density‐functional theory, to the case in which the electronic wavefunction corresponds to a complex current‐carrying state. In such a case, an extra term in the form of a vector potential appears which cannot be gauged away. Both scalar and vector potentials are introduced via the exact factorization formalism which allows us to express the given Schrödinger equation as two coupled equations, one for the marginal and one for the conditional amplitude. The electronic vector potential is directly related to the paramagnetic current density carried by the total wavefunction and to the diamagnetic current density in the equation for the marginal amplitude. An explicit example of this vector potential in a triplet state of two non‐interacting electrons is showcased together with its associated circulation, giving rise to a non‐vanishing geometric phase. Some connections with the exact factorization for the full molecular wavefunction beyond the Born–Oppenheimer approximation are also discussed.
Deuterium Isotope Effect in Single Molecule Photophysics and Photochemistry of Hypericin
Authors: Wang Liangxuan , Liu Quan , Buchwald Andrea , Wackenhut Frank , Brecht Marc , Gierschner Johannes , Meixner Alfred J. 
Published: June 2024

AbstractThe peripherical protons of the dye molecule hypericin can undergo structural interconversion (tautomerization) between different isomers separated by a low energy barrier with rates that depends sensitively on the interaction with local chemical environment defined by the nature of host material. We investigate the deuterium (D) isotope effect of hypericin tautomerism at the single‐molecule level to avoid ensemble averaging in different polymer matrices by a combined spectroscopic and computational approach. In the ′innocent′ PMMA matrix only intramolecular isotope effects on the internal conversion channel and tautomerization are observed; while PVA specifically interacts with the probe via H‐ and D‐bonding. This establishes a single molecular picture on intra‐ and intermolecular nano‐environment effects to control chromophore photophysics and ‐chemistry.
Prediction of Feasibility of Polaronic OER on the (110) Surface of Rutile TiO2
Authors: Pada Sarker Hori , Abild‐Pedersen Frank , Bajdich Michal 
Published: June 2024

AbstractThe front cover artwork is provided by Dr. Hori Pada Sarker from Dr. Frank Abild‐Pedersen's research group at the SLAC National Accelerator Laboratory. The image shows the generation of photoexcited carriers (electrons and holes) and the subsequent formation of hole polaron in rutile TiO2 during oxygen evolution reaction (OER). Read the full text of the Research Article at 10.1002/cphc.202400060.
First‐Principles Study on Polymer Electrolyte Interface Engineering for Lithium Metal Anodes
Authors: Wang Yao , Ren Ziang , Zheng Jianhui , Wang Juncheng , Yuan Huadong , Liu Yujing , Liu Tiefeng , Luo Jianmin , Nai Jianwei , Tao Xinyong 
Published: June 2024

AbstractModifying the interface between the lithium metal anode (LMA) and the electrolyte is crucial for achieving high‐performance lithium metal batteries (LMBs). Recent research indicates that altering Li‐metal interfaces with polymer coatings is an effective approach to extend LMBs′ cycling lifespan. However, the physical properties of these polymer‐Li interfaces have not yet been fully investigated. Therefore, the structural stability, electronic conductivity, and ionic conductivity of polymer‐Li interfaces were examined based on first‐principles calculations in this study. Several representative polymer compounds utilized in LMBs were assessed, including polyacrylonitrile (PAN), polyvinylidene fluoride (PVDF), polytetrafluoroethylene (PTFE), and polyethylene oxide (PEO). Our research revealed that lithium fluoride is formed upon fluoropolymer degradation, explaining previously observed experimental results. Polymers containing nitrile groups exhibit strong adhesion to lithium metal, facilitating the formation of the stable interface layer. Regarding electronic conductivity, the fluoropolymers preserve a good insulating property, which diminished marginally in the presence of lithium, but that of PAN and PEO significantly reduces. Additionally, lithium diffusion on PTFE and PEO demonstrates low diffusion barriers and high coefficients, enabling easy transportation. Overall, our investigation reveals that the interfaces formed between various polymers and LMA have distinct characteristics, providing new fundamental insights for designing composites with tailored interface properties.
Characterization of the Lithium/Solid Electrolyte Interface in the Presence of Nanometer‐thin TiOx Layers for All‐Solid‐State Batteries
Authors: Götz Rainer , Pugacheva Ekaterina , Ahaliabadeh Zahra , Llanos Princess Stephanie , Kallio Tanja , Bandarenka Aliaksandr S. 
Published: June 2024

AbstractIt is still unclear which role space charge layers (SCLs) play within an all‐solid‐state battery during operation with high current densities, as well as to which extent they form. Herein, we use a solid electrolyte with a known SCL formation and investigate it in a symmetric cell under non‐blocking conditions with Li metal electrodes. Since the used LICGC™ electrolyte is known for its instability against lithium, it is protected from rapid degradation by nanometer‐thin layers of TiOx deployed by atomic layer deposition. Close attention is given to the interfacial properties, as now additional Li+ can traverse through the interface depending on the applied bias potential. The interlayer‘s impedance response shows efficient lithium‐ion conduction for low bias potentials and a diffusion‐limiting effect towards high positive and negative potentials. SCLs grow up to a thickness of 5.1 μm. Additionally, estimating the apparent rate constant of the charge transfer across the interface indicates that the potentials where kinetics are hindered coincide with the widest SCLs. In conclusion, the investigation under higher steady‐state currents was only possible because of the improved stability due to the interlayer. No chemo‐physical failure could be observed after 800+ hours of cycling. However, an ex‐situ SEM study shows a new phase at the interface, which grows into the electrolyte.