bluuebunny/crossref_metadata_2025 huggingface dataset:
Concurrent Preimplantation Genetic Testing and Competence Assessment of Human Embryos by Transcriptome Sequencing
Authors: Wang Yuqian , Li Ye , Zhu Xiaohui , Yang Ming , Liu Yujun , Wang Nan , Long Chuan , Kuo Ying , Lian Ying , Huang Jin , Jia Jialin , Wong Catherine C. L. , Yan Zhiqiang , Yan Liying , Qiao Jie
Published: June 2024

Preimplantation genetic testing (PGT) can minimize the risk of birth defects. However, the accuracy and applicability of routine PGT is confounded by uneven genome coverage and high allele drop‐out rate from existing single‐cell whole genome amplification methods. Here, a method to diagnose genetic mutations and concurrently evaluate embryo competence by leveraging the abundant mRNA transcript copies present in trophectoderm cells is developed. The feasibility of the method is confirmed with 19 donated blastocysts. Next, the method is applied to 82 embryos from 26 families with monogenic defects for simultaneous mutation detection and competence assessment. The accuracy rate of direct mutation detection is up to 95%, which is significantly higher than DNA‐based method. Meanwhile, this approach correctly predicted seven out of eight (87.5%) embryos that failed to implant. Of six embryos that are predicted to implant successfully, four met such expectations (66.7%). Notably, this method is superior at conditions for mutation detection that are challenging when using DNA‐based PGT, such as when detecting pathogenic genes with a high de novo rate, multiple pseudogenes, or an abnormal expansion of CAG trinucleotide repeats. Taken together, this study establishes the feasibility of an RNA‐based PGT that is also informative for assessing implantation competence.
Picrasidine S Induces cGAS‐Mediated Cellular Immune Response as a Novel Vaccine Adjuvant
Authors: Ding Xiaofan , Sun Mengxue , Guo Fusheng , Qian Xinmin , Yuan Haoyu , Lou Wenjiao , Wang Qixuan , Lei Xiaoguang , Zeng Wenwen
Published: June 2024

New adjuvants that trigger cellular immune responses are urgently needed for the effective development of cancer and virus vaccines. Motivated by recent discoveries that show activation of type I interferon (IFN‐I) signaling boosts T cell immunity, this study proposes that targeting this pathway can be a strategic approach to identify novel vaccine adjuvants. Consequently, a comprehensive chemical screening of 6,800 small molecules is performed, which results in the discovery of the natural compound picrasidine S (PS) as an IFN‐I inducer. Further analysis reveals that PS acts as a powerful adjuvant, significantly enhancing both humoral and cellular immune responses. At the molecular level, PS initiates the activation of the cGAS‐IFN‐I pathway, leading to an enhanced T cell response. PS vaccination notably increases the population of CD8+ central memory (TCM)‐like cells and boosts the CD8+ T cell‐mediated anti‐tumor immune response. Thus, this study identifies PS as a promising candidate for developing vaccine adjuvants in cancer prevention.
Photo‐Electro‐Thermal Textiles for Scalable, High‐Performance, and Salt‐Resistant Solar‐Driven Desalination
Authors: Xu Duo , Ge Can , Chen Ze , Zhang Zhixun , Zhang Qian , Chen Tao , Gao Chong , Xu Weilin , Fang Jian
Published: June 2024

Solar‐driven interfacial evaporation is an emerging desalination technology that can potentially relieve the freshwater scarcity issue. To obtain high and continuous evaporation rates for all‐weather, chemically engineered structural materials have been widely explored for simultaneous photothermal and electrothermal conversion. However, many previously reported fabrication processes involve poor integration and considerable energy loss. Herein, a scalable photo‐electro‐thermal textile is proposed to enable high efficiency, long‐term salt rejection, and solar‐driven desalination. Specifically, the photo‐electro‐thermal yarns with a core (commercial electric wire)‐shell (polypyrrole‐decorated Tencel) structure realize the integration of electrothermal and photothermal conversion. The wrapping eccentricity of 1.53 mm and pitch of 3 T cm−1 for the electric wire are rationally regulated to achieve a high surface temperature of over 52 °C at a 3 V DC input. As a result, exceptional and stable evaporation rates of 5.57 kg m−2 h−1 (pure water) and 4.89 kg m−2 h−1 (3.5 wt.% brine) under 1 kW m−2·radiation with a 3 V input voltage are realized. Practical application shows that the textiles can achieve high water collection of over 46 kg m−2 d−1 over the whole day of operation. The constructed photo‐electro‐thermal textile‐based evaporator provides an effective method for commercial and scalable photo‐electro‐thermal conversion to achieve high‐performance and salt‐resistant solar‐driven desalination.
Single‐Use, Metabolite Absorbing, Resonant Transducer (SMART) Culture Vessels for Label‐Free, Continuous Cell Culture Progression Monitoring
Authors: Chan Yee Jher , Dileep Dhananjay , Rothstein Samuel M. , Cochran Eric W. , Reuel Nigel F.
Published: June 2024

Secreted metabolites are an important class of bio‐process analytical technology (PAT) targets that can correlate to cell conditions. However, current strategies for measuring metabolites are limited to discrete measurements, resulting in limited understanding and ability for feedback control strategies. Herein, a continuous metabolite monitoring strategy is demonstrated using a single‐use metabolite absorbing resonant transducer (SMART) to correlate with cell growth. Polyacrylate is shown to absorb secreted metabolites from living cells containing hydroxyl and alkenyl groups such as terpenoids, that act as a plasticizer. Upon softening, the polyacrylate irreversibly conformed into engineered voids above a resonant sensor, changing the local permittivity which is interrogated, contact‐free, with a vector network analyzer. Compared to sensing using the intrinsic permittivity of cells, the SMART approach yields a 20‐fold improvement in sensitivity. Tracking growth of many cell types such as Chinese hamster ovary, HEK293, K562, HeLa, and E. coli cells as well as perturbations in cell proliferation during drug screening assays are demonstrated. The sensor is benchmarked to show continuous measurement over six days, ability to track different growth conditions, selectivity to transducing active cell growth metabolites against other components found in the media, and feasibility to scale out for high throughput campaigns.
SETMAR Facilitates the Differentiation of Thyroid Cancer by Regulating SMARCA2‐Mediated Chromatin Remodeling
Authors: Zhang Wei , Ruan Xianhui , Huang Yue , Zhang Weiyu , Xu Guangwei , Zhao Jingzhu , Hao Jie , Qin Nan , Liu Jinjian , Su Qian , Liu Jianfeng , Tao Mei , Wang Yuqi , Wei Songfeng , Zheng Xiangqian , Gao Ming
Published: June 2024

Thyroid cancer is the most common type of endocrine cancer, and most patients have a good prognosis. However, the thyroid cancer differentiation status strongly affects patient response to conventional treatment and prognosis. Therefore, exploring the molecular mechanisms that influence the differentiation of thyroid cancer is very important for understanding the progression of this disease and improving therapeutic options. In this study, SETMAR as a key gene that affects thyroid cancer differentiation is identified. SETMAR significantly regulates the proliferation, epithelial‐mesenchymal transformation (EMT), thyroid differentiation‐related gene expression, radioactive iodine uptake, and sensitivity to MAPK inhibitor‐based redifferentiation therapies of thyroid cancer cells. Mechanistically, SETMAR methylates dimethylated H3K36 in the SMARCA2 promoter region to promote SMARCA2 transcription. SMARCA2 can bind to enhancers of the thyroid differentiation transcription factors (TTFs) PAX8, and FOXE1 to promote their expression by enhancing chromatin accessibility. Moreover, METTL3‐mediated m6A methylation of SETAMR mRNA is observed and showed that this medication can affect SETMAR expression in an IGF2BP3‐dependent manner. Finally, the METTL3‐14‐WTAP activator effectively facilitates the redifferentiation of thyroid cancer cells via the SETMAR‐SMARCA2‐TTF axis utilized. The research provides novel insights into the molecular mechanisms underlying thyroid cancer dedifferentiation and provides a new approach for therapeutically promoting redifferentiation.
Mechanism for Local‐Atomic Structure Changes in Chalcogenide‐based Threshold‐Switching Devices
Authors: Choi Minwoo , Sung Ha‐Jun , Koo Bonwon , Park Jong‐Bong , Yang Wooyoung , Kang Youngjae , Park Yongyoung , Ham Yongnam , Yun Dong‐Jin , Ahn Dongho , Yang Kiyeon , Lee Chang Seung
Published: June 2024

Threshold‐switching devices based on amorphous chalcogenides are considered for use as selector devices in 3D crossbar memories. However, the fundamental understanding of amorphous chalcogenide is hindered owing to the complexity of the local structures and difficulties in the trap analysis of multinary compounds. Furthermore, after threshold switching, the local structures gradually evolve to more stable energy states owing to the unstable homopolar bonds. Herein, based on trap analysis, DFT simulations, and operando XPS analysis, it is determined that the threshold switching mechanism is deeply related to the charged state of Se–Se homopolar defects. A threshold switching device is demonstrated with an excellent performance through the modification of the local structure via the addition of alloying elements and investigating the time‐dependent trap evolution. The results concerning the trap dynamics of local atomic structures in threshold switching phenomena may be used to improve the design of amorphous chalcogenides.
Discovery of Antimicrobial Lysins from the “Dark Matter” of Uncharacterized Phages Using Artificial Intelligence
Authors: Zhang Yue , Li Runze , Zou Geng , Guo Yating , Wu Renwei , Zhou Yang , Chen Huanchun , Zhou Rui , Lavigne Rob , Bergen Phillip J. , Li Jian , Li Jinquan
Published: June 2024

The rapid rise of antibiotic resistance and slow discovery of new antibiotics have threatened global health. While novel phage lysins have emerged as potential antibacterial agents, experimental screening methods for novel lysins pose significant challenges due to the enormous workload. Here, the first unified software package, namely DeepLysin, is developed to employ artificial intelligence for mining the vast genome reservoirs (“dark matter”) for novel antibacterial phage lysins. Putative lysins are computationally screened from uncharacterized Staphylococcus aureus phages and 17 novel lysins are randomly selected for experimental validation. Seven candidates exhibit excellent in vitro antibacterial activity, with LLysSA9 exceeding that of the best‐in‐class alternative. The efficacy of LLysSA9 is further demonstrated in mouse bloodstream and wound infection models. Therefore, this study demonstrates the potential of integrating computational and experimental approaches to expedite the discovery of new antibacterial proteins for combating increasing antimicrobial resistance.
Multiplexed In Vivo Imaging with Fluorescence Lifetime‐Modulating Tags
Authors: El Hajji Lina , Lam France , Avtodeeva Maria , Benaissa Hela , Rampon Christine , Volovitch Michel , Vriz Sophie , Gautier Arnaud
Published: June 2024

Fluorescence lifetime imaging microscopy (FLIM) opens new dimensions for highly multiplexed imaging in live cells and organisms using differences in fluorescence lifetime to distinguish spectrally identical fluorescent probes. Here, a set of fluorescence‐activating and absorption‐shifting tags (FASTs) capable of modulating the fluorescence lifetime of embedded fluorogenic 4‐hydroxybenzylidene rhodanine (HBR) derivatives is described. It is shown that changes in the FAST protein sequence can vary the local environment of the chromophore and lead to significant changes in fluorescence lifetime. These fluorescence lifetime‐modulating tags enable multiplexed imaging of up to three targets in one spectral channel using a single HBR derivative in live cells and live zebrafish larvae. The combination of fluorescence lifetime multiplexing with spectral multiplexing allows to successfully image six targets in live cells, opening great prospects for multicolor fluorescence lifetime multiplexing.
Cu Embedded in Co–P Nanosheets with Super Wetting Structure for Accelerated Overall Water Splitting under Simulated Industrial Conditions
Authors: Deng Rongrong , Zhang Qibo
Published: June 2024

The development of advanced electrocatalysts with exceptional performance at high current densities is pivotal for reducing electric energy consumption in industrial water splitting for hydrogen production. Herein, a flexible one‐step electrodeposition approach is developed to synthesize superhydrophilic 3D flower‐like clusters of Cu–Co–P nanosheets grown in situ on nickel foam (NF). Introducing Cu into Co–P causes strong electron interactions, forming an electronic configuration favorable for the adsorption and desorption of intermediates, which significantly improves the intrinsic catalytic activity. The as‐deposited Cu–Co–P/NF display notable bifunctional catalytic activity with low overpotentials of 259 and 65 mV for the oxygen and hydrogen evolution reactions, respectively, at 10 mA cm−2. Superwetting 3D flower‐like nanostructures are conducive to the penetration of electrolytes and the rapid release of bubbles, enabling the efficient utilization of active sites and the timely release of bubble stress under high current densities. An assembled Cu–Co–P/NF(+, −) electrolyzer achieves an impressive voltage of 1.85 V at 500 mA cm−2 for water splitting and appreciable stability for over 220 h under simulated industrial conditions. This work offers an attractive strategy for regulating superaerophobic Co–P electrocatalysts for industrial water splitting, which can contribute to practical applications.
Enhanced vasorin signaling mitigates adverse cardiovascular remodeling
Authors: Wang Mingyi , McGraw Kimberly Raginski , Monticone Robert E. , Giordo Roberta , Eid Ali H. , Pintus Gianfranco
Published: June 2024

Arterial stiffening is a critical risk factor contributing to the exponential rise in age‐associated cardiovascular disease incidence. This process involves age‐induced arterial proinflammation, collagen deposition, and calcification, which collectively contribute to arterial stiffening. The primary driver of proinflammatory processes leading to collagen deposition in the arterial wall is the transforming growth factor‐beta1 (TGF‐β1) signaling. Activation of this signaling is pivotal in driving vascular extracellular remodeling, eventually leading to arterial fibrosis and calcification. Interestingly, the glycosylated protein vasorin (VASN) physically interacts with TGF‐β1, and functionally restraining its proinflammatory fibrotic signaling in arterial walls and vascular smooth muscle cells (VSMCs). Notably, as age advances, matrix metalloproteinase type II (MMP‐2) is activated, which effectively cleaves VASN protein in both arterial walls and VSMCs. This age‐associated/MMP‐2‐mediated decrease in VASN levels exacerbates TGF‐β1 activation, amplifying arterial fibrosis and calcification in the arterial wall. Importantly, TGF‐β1 is a downstream molecule of the angiotensin II (Ang II) signaling pathway in the arterial wall and VSMCs, which is modulated by VASN. Indeed, chronic administration of Ang II to young rats significantly activates MMP‐2 and diminishes the VASN expression to levels comparable to untreated older control rats. This review highlights and discusses the role played by VASN in mitigating fibrosis and calcification by alleviating TGF‐β1 activation and signaling in arterial walls and VSMCs. Understanding these molecular physical and functional interactions may pave the way for establishing VASN‐based therapeutic strategies to counteract adverse age‐associated cardiovascular remodeling, eventually reducing the risk of cardiovascular diseases.
Double‐Layered Metal‐Organic‐Frameworks‐Based Microswimmers for Adaptive Dual‐Drug Anti‐Cancer Therapy Using Artemisinin‐Based Compounds
Authors: Zhong Yukun , Li Haining , Jiang Teng , Mu Xueliang , Seki Munetoshi , Cheang U Kei
Published: June 2024

Magnetic microrobots have the potential for anti‐cancer drug delivery; however, using dual‐drug to counter drug resistance, a critical issue in cancer research, has only been briefly investigated. This study introduces the double‐layered metal‐organic‐frameworks (MOFs)‐based microswimmers for sustained dual‐drug delivery. These microswimmers are made up of ZIF‐8 and MIL‐100, biocompatible MOFs, that can selectively adsorb two types of drugs. The MOFs increase the surface area of the microswimmers by ≈2.42 times, which greatly enhances drug adsorption, and improves hydrophilicity, which reduces adhesion for surface locomotion. Their biocompatibility and dual‐drug adsorption are verified through cell viability and drug‐loading tests. The microswimmers have remarkable versatility in loading different drug combinations (DHA + 5‐FU, CPT‐11, or DOX), indicating the potential for adaptive therapy. They can inhibit cancer cells for up to 72 h through the sustained release of dual drugs. In contrast, drug treatments without microswimmers only inhibit cell proliferation for 24 h, leading to a significant rebound. This study provides a method to mass fabricate fully biocompatible microrobots with dual drug loading versatility and high drug adsorption capacity; thus, suggests a powerful platform for sustained adaptive dual‐drug therapy.
Investigating femoral growth disruption in subadults from the 10th–13th century St. Étienne cemetery of Toulouse, France
Authors: Welsh H. , Brickley M. B.
Published: June 2024

Objectives

The skeleton embodies an individual's environment and lived experiences. Studying childhood growth disruption can, therefore, aid in understanding the experiences of children in the past. This study evaluates growth disruption in a medieval Toulousian subadult sample to explore factors that may have influenced childhood growth and mortality at this site and to assess the utility of Harris line (HL) interpretations in bioarchaeology.

Materials and Methods

Femoral growth disruption was assessed in n = 71 subadults (0.125–12.42 years) from the 10th–13th century St. Étienne cemetery of Toulouse, France, using femoral length, total area, cortical area, and relative cortical area. Femoral radiographs were assessed for HLs. To determine the prevalence of growth disruption, z‐scores were calculated using data from the Denver growth study.

Results

The majority of subadults in this sample suffered from femoral growth disruption. Young children (1.0–3.99 years) were the most affected, with >65% experiencing reduced appositional growth and linear growth stunting at time‐of‐death. Additionally, while many individuals presented with observable HLs, linear and appositional growth did not significantly differ between individuals with and without HLs.

Discussion

Maternal malnutrition and inadequate complementary feeding practices likely contributed to the high prevalence of growth disruption among the youngest individuals in the study. The older children and adolescents buried at St. Étienne experienced an amelioration in growth deficits, indicating an improvement in nutrition and/or disease load. The results of this study suggest that more consideration is required when interpreting the presence/absence of HLs, and that studies assessing HLs may benefit from using a more individualistic approach.
CdS Quantum Dot Gels as a Direct Hydrogen Atom Transfer Photocatalyst for C−H Activation
Authors: Liu Daohua , Hazra Atanu , Liu Xiaolong , Maity Rajendra , Tan Ting , Luo Long
Published: June 2024

Here, we report CdS quantum dot (QD) gels, a three‐dimensional network of interconnected CdS QDs, as a new type of direct hydrogen atom transfer (d‐HAT) photocatalyst for C−H activation. We discovered that the photoexcited CdS QD gel could generate various neutral radicals, including α‐amido, heterocyclic, acyl, and benzylic radicals, from their corresponding stable molecular substrates, including amides, thio/ethers, aldehydes, and benzylic compounds. Its C−H activation ability imparts a broad substrate and reaction scope. The mechanistic study reveals that this reactivity is intrinsic to CdS materials, and the neutral radical generation did not proceed via the conventional sequential electron transfer and proton transfer pathway. Instead, the C−H bonds are activated by the photoexcited CdS QD gel via a d‐HAT mechanism. This d‐HAT mechanism is supported by the linear correlation between the logarithm of the C−H bond activation rate constant and the C−H bond dissociation energy (BDE) with a Brønsted slope α=0.5. Our findings expand the currently limited direct hydrogen atom transfer photocatalysis toolbox and provide new possibilities for photocatalytic C−H activation.
General In Situ Engineering of Carbon‐Based Materials on Carbon Fiber for In Vivo Neurochemical Sensing
Authors: Zeng Hui , Ren Guoyuan , Gao Nan , Xu Tianci , Jin Peng , Yin Yongyue , Liu Rantong , Zhang Shuai , Zhang Meining , Mao Lanqun
Published: June 2024

Developing real‐time, dynamic, and in situ analytical methods with high spatial and temporal resolutions is crucial for exploring biochemical processes in the brain. Although in vivo electrochemical methods based on carbon fiber (CF) microelectrodes are effective in monitoring neurochemical dynamics during physiological and pathological processes, complex post modification hinders large‐scale productions and widespread neuroscience applications. Herein, we develop a general strategy for the in situ engineering of carbon‐based materials to mass‐produce functional CFs by introducing polydopamine to anchor zeolitic imidazolate frameworks as precursors, followed by one‐step pyrolysis. This strategy demonstrates exceptional universality and design flexibility, overcoming complex post‐modification procedures and avoiding the delamination of the modification layer. This simplifies the fabrication and integration of functional CF‐based microelectrodes. Moreover, we design highly stable and selective H+, O2, and ascorbate microsensors and monitor the influence of CO2 exposure on the O2 content of the cerebral tissue during physiological and ischemia‐reperfusion pathological processes.
Deuteration as a General Strategy to Enhance Azobenzene‐Based Photopharmacology
Authors: Roßmann Kilian , Gonzalez‐Hernandez Alberto J. , Bhuyan Rahul , Schattenberg Caspar , Sun Han , Börjesson Karl , Levitz Joshua , Broichhagen Johannes
Published: June 2024

Chemical photoswitches have become a widely used approach for the remote control of biological functions with spatiotemporal precision. Several molecular scaffolds have been implemented to improve photoswitch characteristics, ranging from the nature of the photoswitch itself (e.g. azobenzenes, dithienylethenes, hemithioindigo) to fine‐tuning of aromatic units and substituents. Herein, we present deuterated azobenzene photoswitches as a general means of enhancing the performance of photopharmacological molecules. Deuteration can improve azobenzene performance in terms of light sensitivity (higher molar extinction coefficient), photoswitch efficiency (higher photoisomerization quantum yield), and photoswitch kinetics (faster macroscopic rate of photoisomerization) with minimal alteration to the underlying structure of the photopharmacological ligand. We report synthesized deuterated azobenzene‐based ligands for the optimized optical control of ion channel and G protein‐coupled receptor (GPCR) function in live cells, setting the stage for the straightforward, widespread adoption of this approach.
Temperature‐Gradient Solution Deposition Amends Unfavorable Band Structure of Sb2(S,Se)3 Film for Highly Efficient Solar Cells
Authors: Huang Lei , Dong Jiabin , Hu Yue , Yang Junjie , Peng Xiaoqi , Wang Haolin , Liu Aoxing , Dong Yizhe , Wang Hong , Zhu Changfei , Tang Rongfeng , Zhang Yi , Chen Tao
Published: June 2024

Band structure of a semiconducting film critically determines the charge separation and transport efficiency. In antimony selenosulfide (Sb2(S,Se)3) solar cells, the hydrothermal method has achieved control of band gap width of Sb2(S,Se)3 thin film through tuning the atomic ratio of S/Se, resulting in an efficiency breakthrough towards 10 %. However, the obtained band structure exhibits an unfavorable gradient distribution in terms of carrier transport, which seriously impedes the device efficiency improvement. To solve this problem, here we develop a strategy by intentionally regulating hydrothermal temperature to control the chemical reaction kinetics between S and Se sources with Sb source. This approach enables the control over vertical distribution of S/Se atomic ratio in Sb2(S,Se)3 films, forming a favorable band structure which is conducive to carrier transport. Meanwhile, the adjusted element distribution not only ensures the uniformity of grain structure, but also increases the Se content of the films and suppress sulfur vacancy defects. Ultimately, the device delivers a high efficiency of 10.55 %, which is among the highest reported efficiency of Sb2(S,Se)3 solar cells. This study provides an effective strategy towards manipulating the element distribution in mixed‐anion compound films prepared by solution‐based method to optimize their optical and electrical properties.
Property enhancement of acrylonitrile butadiene rubber/bagasse ash composites by tannic acid
Authors: Pattanawanidchai Sirichai , Sae‐Oui Pongdhorn , Suwantrakit Noottiyaporn , Khunchanon Sommat , Pangamol Pathompong , Siriwong Chomsri
Published: June 2024

Bagasse ash (BA) is an agricultural waste obtained from power plants using sugarcane bagasse as an energy source. Although BA is successfully used as a building material, its application in the polymer industry remains challenging due to the lack of surface reactivity. In this study, BA was purified and named PBA before being incorporated into acrylonitrile butadiene rubber (NBR). Tannic acid (TA), a naturally occurring plant polyphenol, was used as a surface‐modifying agent for improved interfacial interaction. The effect of TA content on the properties of PBA‐filled NBR was investigated. The results showed that the presence of TA resulted in cure retardation, i.e., the scorch time, cure time, and activation energy of the vulcanization reaction increased with increasing TA content. However, the increase in TA content enhanced a rubber‐filler interaction, as evidenced by the considerable increase in bound rubber content. Such an enhancement resulted in the improvement of certain mechanical properties, including hardness, modulus, tensile strength, and tear strength. This research showed that tannic acid can be used as a surface‐modifying agent in NBR/PBA composites.
Machine Learning for Perovskite Solar Cells: An Open‐Source Pipeline
Authors: Roberts Nicholas , Jones Dylan , Schuy Alex , Hsu Shi‐Chieh , Lin Lih Y.
Published: June 2024

Among promising applications of metal‐halide perovskite, the most research progress is made for perovskite solar cells (PSCs). Data from myriads of research work enables leveraging machine learning (ML) to significantly expedite material and device optimization as well as potentially design novel configurations. This paper represents one of the first efforts in providing open‐source ML tools developed utilizing the Perovskite Database Project (PDP), the most comprehensive open‐source PSC database to date with over 43 000 entries from published literature. Three ML model architectures with short‐circuit current density (Jsc) as a target are trained exploiting the PDP. Using the XGBoost architecture, a root mean squared error (RMSE) of 3.58 , R2 of 0.35 and a mean absolute percentage error (MAPE) of 9.49% are achieved. This performance is comparable to results reported in literature, and through further investigation can likely be improved. To overcome challenges with manual database creation, an open‐source data cleaning pipeline is created for PDP data. Through the creation of these tools, which have been published on GitHub, this research aims to make ML available to aid the design for PSC while showing the already promising performance achieved. The tools can be adapted for other applications, such as perovskite light‐emitting diodes (PeLEDs), if a sufficient database is available.
Benzenesulfonamides functionalized with triazolyl‐linked pyrazoles possess dual cathepsin B and carbonic anhydrase inhibitory action
Authors: Siwach Kiran , Arya Priyanka , Vats Lalit , Sharma Vikas , Giovannuzzi Simone , Raghav Neera , Supuran Claudiu T. , Sharma Pawan K.
Published: June 2024

The design and synthesis of a library of 21 novel benzenesulfonamide‐bearing 3‐functionalized pyrazole‐linked 1,2,3‐triazole derivatives as dual inhibitors of cathepsin B and carbonic anhydrase enzymes are reported. The target 1,2,3‐triazole‐linked pyrazolic esters (16) were synthesized by the condensation of 1,2,3‐triazolic diketo esters with 4‐hydrazinobenzenesulfonamide hydrochloride, and these were further converted into the corresponding carboxylic acid (17) and carboxamide (18) analogs. The synthesized compounds were assayed in vitro for their inhibition potential against human carbonic anhydrase (hCA) isoforms I, II, IX, and XII. They were found to be potent inhibitors at the low nanomolar level against the cancer‐related hCA IX and XII and to be selective towards the cytosolic isoform hCA I. The physiologically important isoform hCA II was potently inhibited by all the newly synthesized compounds showing KI values ranging between 0.8 and 561.5 nM. The ester derivative 16c having 4‐fluorophenyl (KI = 5.2 nM) was the most potent inhibitor of hCA IX, and carboxamide derivative 18b (KI = 2.2 nM) having 4‐methyl substituted phenyl was the most potent inhibitor of hCA XII. The newly synthesized compounds exhibited potent cathepsin B inhibition at 10−7 M concentration. In general, the carboxamide derivatives (18) showed higher % inhibition as compared with the corresponding ester derivatives (16) and carboxylic acid derivatives (17) for cathepsin B. The interactions of the target compounds with the active sites of cathepsin B and CA were studied through molecular docking studies. Further, the in silico absorption, distribution, metabolism, excretion, and toxicity (ADMET) and drug‐likeness properties of the target compounds were also studied.
Local impact of books: A comparison of libcitations from research‐oriented and public libraries
Authors: Vandewalle Eline , Guns Raf , Engels Tim C. E.
Published: June 2024

We explore the potential of libcitations from local research‐oriented and public library catalogues for a study of the societal and cultural impact of books authored by academics from the Social Sciences and Humanities (SSH). The study relies on data from the bibliographic database VABB‐SHW, the Flemish public library catalogue Cultuurconnect, and the Belgian research library catalogue UniCat. We find that whereas a majority of academically authored SSH books appear in research‐oriented libraries, the holdings in public libraries are limited. However, libcitations in public libraries are indicative of societal and cultural impact, particularly for books written in the domestic language (in this case Dutch) and books that are not primarily aimed at academic peers (and are not peer‐reviewed). Additionally, we find that the books held in local libraries include different genres and dissemination types, as SSH scholars contribute to the creation of societal and cultural impact in a variety of ways. An overview of the types of books attaining high scores in public and research‐oriented libraries showcases avenues for the creation of societal impact through popularized literature.
pH‐response of protein‐polysaccharide multilayers adsorbed on a flat gold surface: A surface plasmon resonance study
Authors: Katsenou Nikolitsa , Spiliopoulos Nikolaos , Anastassopoulos Dimitrios L. , Papagiannopoulos Aristeidis , Toprakcioglu Chris
Published: June 2024

Polysaccharide‐protein multilayers (PPMLs) consisting of bovine serum albumin (BSA) and chondroitin sulfate (CS) are assembled in acidic solution (pH 4.2) via layer‐by‐layer deposition method. The formation of PPMLs on gold surface and their responsiveness to pH change from 4.2 to 7 is investigated by Surface Plasmon Resonance Spectroscopy. The buildup of the multilayer at pH 4.2 exhibits non‐linear growth while the formation of the first layers is strongly affected by the physicochemical properties of the gold surface. Neutral solution (pH 7) affects the interactions between the biopolymers and results in a partially disassemble (disintegration) of the multilayer film. On one hand, the single pair of layers, BSA‐CS and the double pair of layers, (BSA‐CS)2, assemblies are stable in neutral pH, a result that will be of interest for biomedical applications. On the other hand, multilayer films consisting of more than four layers that is (BSA‐CS)2<n<5, disintegrated down to the 4‐layered structure by changing pH to neutral, a fact that renders the (BSA‐CS)n assembly useful in the field of drug and protein delivery. The residual mass after the disintegration of the assembly never falls below the mass of four layers. The disintegrated multilayer film can be reconstructed and disassembled repeatedly, simply by cycling the pH value.
Artificial intelligence positive psychology and therapy
Authors: Prescott Julie , Barnes Steven
Published: June 2024

Aim

This perspective piece will consider utilising the concepts of positive psychology, specifically in terms of relationships through the application of artificial intelligence (AI) for therapeutic intervention. We will provide an overview of positive psychology, consider how this can be applied in the therapeutic setting and how AI, and more currently artificial wisdom, can support this application.

Findings

Through an overview of existing research concerning the use of AI in therapeutic environments, it is evident that research is looking into this area with the prospect of supporting a more diverse client base, and it is an area therapists need to be aware of, and potential training in.

Discussion

The paper considers the future use of AI and artificial wisdom, providing potential insights into the direction of research in this area.
Physicochemical, functional, pasting, and amino acid compositions of milled rice, and extrusion behavior of milled rice from basmati and nonbasmati varieties
Authors: Mudgal Swasti , Singh Narpinder
Published: June 2024

Background and Objectives

This study was carried out to evaluate the difference in physiochemical, functional, cooking, textural, and pasting properties along with amino acid profile of nine basmati and nine nonbasmati rice varieties. Principle component statistical analysis was done to analyse the relationships among different properties of these varieties. Some verities containing high amylose content and good amino acid profile were selected for further development of extruded products (rice extrudates).

Findings

Variations were observed in the physicochemical and functional properties of basmati and nonbasmati varieties. Low amylose rice varieties had higher cooking time, firmness, pasting temperature, and lower pasting viscosity. Selected high amylose‐containing varieties were showed higher bulk density but lower expansion ratio and hardness of rice extrudates. Result of this study will help industry for selection of rice for development of gluten‐free rice‐based breakfast cereals, puffed rice snacks, and so forth.

Conclusions

Among all varieties, PR122, PR128, PB3, PB4, and PB1121 exhibited higher levels of ash content, amylose content and protein content. Consequently, these varieties demonstrated longer CT, greater GSL, higher cooked grain firmness, and higher pasting PT, although they exhibited lower PV. PB1637, PB1509, PB1121, and PB4 displayed higher levels of essential AAs and sweet taste attributing amino acids, such as serine, glycine, and alanine, when compared to the other varieties. The results showed that rice containing higher amylose had lower expansion ratio of the extrudates, while higher bulk density and hardness. PR126 and CSR30 had the highest expansion ratio among the varieties that have been evaluated. Based on these results, PR126 and CSR30 could be used to make gluten‐free rice‐based breakfast cereals, rice snacks, and instant products.

Significance and Novelty

Physiochemical, functional, cooking, texture, pasting properties as well as amino acid profile were evaluated of different basmati and non‐basmati Indian (Punjab) varieties. Principle component (Relationship) analysis between various properties and different rice varieties was carried out. Extrusion is the most versatile processing technology used in the food industry to develop the product having better functional and sensory characteristics. The findings highlight the necessity of taking amylose content and amino acid composition into account when selecting rice types for preparation of extruded rice food.
How to present an informative summary of findings table for systematic reviews of interventions: A tutorial
Authors: Hilgart Jennifer , Miles Clare , Chase Jo‐Ana
Published: June 2024

This tutorial provides guidance on creating clear and informative summary of findings tables for systematic reviews of interventions.
Functionalization of Alginate Hydrogels with a Multifunctional Peptide Supports Mesenchymal Stem Cell Adhesion and Reduces Bacterial Colonization
Authors: Oliver‐Cervelló Lluís , López‐Gómez Patricia , Martin‐Gómez Helena , Marion Mahalia , Ginebra Maria‐Pau , Mas‐Moruno Carlos
Published: June 2024

Hydrogels with cell adhesive moieties stand out as promising materials to enhance tissue healing and regeneration. Nonetheless, bacterial infections of the implants represent an unmet major concern. In the present work, we developed an alginate hydrogel modified with a multifunctional peptide containing the RGD cell adhesive motif in combination with an antibacterial peptide derived from the 1–11 region of lactoferrin (LF). The RGD‐LF branched peptide was successfully anchored to the alginate backbone by carbodiimide chemistry, as demonstrated by 1H NMR and fluorescence measurements. The functionalized hydrogel presented desirable physicochemical properties (porosity, swelling and rheological behavior) to develop biomaterials for tissue engineering. The viability of mesenchymal stem cells (MSCs) on the peptide‐functionalized hydrogels was excellent, with values higher than 85 % at day 1, and higher than 95 % after 14 days in culture. Moreover, the biological characterization demonstrated the ability of the hydrogels to significantly enhance ALP activity of MSCs as well as to decrease bacterial colonization of both Gram‐positive and Gram‐negative models. Such results prove the potential of the functionalized hydrogels as novel biomaterials for tissue engineering, simultaneously displaying cell adhesive activity and the capacity to prevent bacterial contamination, a dual bioactivity commonly not found for these types of hydrogels.
Active Site Environment and Reactivity of Copper‐Aβ in Membrane Mimetic SDS Micellar Environment
Authors: Dey Chinmay , Roy Madhuparna , Ghosh Rimi , Pal Puja , Roy Debapriyo , Ghosh Dey Somdatta
Published: June 2024

Alzheimer's disease (AD) is characterized by the abnormal aggregation of amyloid β (Aβ) peptide in extracellular deposits generated upon proteolysis of Amyloid Precursor Protein (APP). While copper (Cu(II)) binds to Aβ in soluble oligomeric and aggregated forms, its interaction with membrane‐bound Aβ remains elusive. Investigating these interactions is crucial for understanding AD pathogenesis. Here, utilizing SDS micelles as a simplified membrane mimic, we focus on elucidating the interplay between membrane‐anchored Aβ and copper, given their pivotal roles in AD. We employed spectroscopic techniques including UV, CD, and EPR to characterize the active site of Cu‐Aβ complexes. Our findings demonstrate that copper interacts with Aβ peptides in membrane‐mimicking micellar environments similarly to aqueous buffer solutions. Cu‐Aβ complexes in this medium also induce higher hydrogen peroxide (H2O2) production, potentially contributing to AD‐related oxidative stress. Moreover, we observe an increased oxidation rate of neurotransmitter such as dopamine by Cu‐Aβ complexes. These results enhance our understanding of Cu‐Aβ interactions in AD pathology and offer insights into potential therapeutic interventions targeting this interaction.
Binary and Ternary Deep Eutectic Solvents for Methylene Green Electropolymerization on Multiwalled Carbon Nanotubes: Optimization, Characterization and Application
Authors: Almeida Joseany M. S. , Pedro Zeferino S. B. , Buoro Rafael M. , Brett Christopher M. A.
Published: June 2024

Choline chloride (ChCl) based binary and ternary deep eutectic solvents (DES) were evaluated for methylene green electropolymerization with oxalic acid (OA) and ethylene glycol (EG) as hydrogen bond donors. Binary DES ChCl : OA in molar ratios 1 : 1 and 2 : 1 and ChCl : EG 1 : 2 and ternary DES (tDES) in different molar ratios and percentages of water were evaluated. The highest polymer growth was in ChCl : OA : EG‐tDES with 13% added water, that had a lower viscosity and higher ionic conductivity when associated with HCl as dopant. This enhanced the formation of more cation radicals and, consequently, more polymer formation. The PMG/MWCNT/GCE‐tDES sensor was successfully applied to the simultaneous determination of 5‐aminosalicylic acid (5‐ASA) and acetaminophen (APAP) by differential pulse voltammetry in the concentration range 1 μM–200 μM, with detection limits of 0.37 μM and 0.49 μM for 5‐ASA and APAP, respectively. The sensor demonstrated good repeatability, reproducibility and stability, and was successfully applied in pharmaceutical formulations.
Optimal design of coolant jacket for cryogen transfer pipelines
Authors: Sivasree Sajikumar Pillai , Nitin Baby
Published: June 2024

Cryogenic liquids such as liquid oxygen and liquid hydrogen are extensively used in many processes and manufacturing industries. In these industries, transferring cryogens via pipelines is a routine phenomenon. As the boiling points and latent heat of cryogens are low, excessive vaporization of these cryogens is innate. Therefore, ensuring that the cryogen reaches the utility in its liquid form is challenging. In the case of liquid hydrogen and liquid helium, the pipelines are jacketed with a high boiling cryogen like nitrogen. The idea is to dump most of the heat into cheap nitrogen to limit the loss of precious hydrogen or helium. From a heat inleak point, maximizing the amount of nitrogen in the jacket is advantageous by choosing large cross‐sectional areas. Also, larger flow cross sections would lower pressure drops and, therefore, lower pumping costs. However, such a choice would add to the mass of the pipeline. An increase in the mass of the pipeline increases the need for better structural support of the pipeline assembly. Therefore, the design of cryogen jackets for limiting heat inleak is a multi‐objective optimization problem. In this work, we model the heat leak into the hydrogen via the nitrogen jacket and the pressure drop of liquid nitrogen, and we find the mass of the pipeline assembly. Then, we optimize the design of nitrogen jackets fitted over hydrogen pipelines. We employ the evolutionary optimization technique, genetic algorithm (GA), to perform this optimization.cryogen; genetic algorithm; heat inleak; liquid hydrogen; optimization.
Recent Progress on Rechargeable Zn−X (X=S, Se, Te, I2, Br2) Batteries
Authors: Du Wenyan , Song Ziyang , Zheng Xunwen , Lv Yaokang , Miao Ling , Gan Lihua , Liu Mingxian
Published: June 2024

Recently, aqueous Zn−X (X=S, Se, Te, I2, Br2) batteries (ZXBs) have attracted extensive attention in large‐scale energy storage techniques due to their ultrahigh theoretical capacity and environmental friendliness. To date, despite tremendous research efforts, achieving high energy density in ZXBs remains challenging and requires a synergy of multiple factors including cathode materials, reaction mechanisms, electrodes and electrolytes. In this review, we comprehensively summarize the various reaction conversion mechanism of zinc‐sulfur (Zn−S) batteries, zinc‐selenium (Zn−Se) batteries, zinc‐tellurium (Zn−Te) batteries, zinc‐iodine (Zn−I2) batteries, and zinc‐bromine (Zn−Br2) batteries, along with recent important progress in the design and electrolyte of advanced cathode (S, Se, Te, I2, Br2) materials. Additionally, we investigate the fundamental questions of ZXBs and highlight the correlation between electrolyte design and battery performance. This review will stimulate an in‐deep understanding of ZXBs and guide the design of conversion batteries.
Relationship between alcohol consumption and dementia with Mendelian randomization approaches among older adults in the United States
Authors: Campbell Kyle A. , Fu Mingzhou , MacDonald Elizabeth , Zawistowski Matthew , Bakulski Kelly M. , Ware Erin B.
Published: June 2024

INTRODUCTION

In observational studies, the association between alcohol consumption and dementia is mixed.

METHODS

We performed two‐sample Mendelian randomization (MR) using summary statistics from genome‐wide association studies of weekly alcohol consumption and late‐onset Alzheimer's disease and one‐sample MR in the Health and Retirement Study (HRS), wave 2012. Inverse variance weighted two‐stage regression provided odds ratios of association between alcohol exposure and dementia or cognitively impaired, non‐dementia relative to cognitively normal.

RESULTS

Alcohol consumption was not associated with late‐onset Alzheimer's disease using two‐sample MR (odds ratio [OR] = 1.15, 95% confidence interval [CI]: [0.78, 1.72]). In HRS, doubling weekly alcohol consumption was not associated with dementia (African ancestries, n = 1,322, OR = 1.00, 95% CI [0.45, 2.25]; European ancestries, n = 7,160, OR = 1.37, 95% CI [0.53, 3.51]) or cognitively impaired, non‐dementia (African ancestries, n = 1,322, OR = 1.17, 95% CI [0.69, 1.98]; European ancestries, n = 7,160, OR = 0.75, 95% CI [0.47, 1.22]).

DISCUSSION

Alcohol consumption was not associated with cognitively impaired, non‐dementia or dementia status.

Highlights

Cross‐sectionally in a large, diverse sample, alcohol appears protective for dementia.

We apply two‐ and one‐sample Mendelian randomization to test inferred causality.

Mendelian randomization approaches show no association with alcohol and dementia.

We conclude that alcohol consumption should not be considered protective.