bluuebunny/crossref_metadata_2025 huggingface dataset:
Interfacial Pyro‐Phototronic Effect: A Universal Approach for Enhancement of Self‐Powered Photodetection Based on Perovskites with Centrosymmetry
Authors: Guo Linjuan , Wang Huan , Xu Ziqing , Cong Ridong , Zhao Lei , Zhang Suheng , Zhang Kai , Gao Linjie , Wang Shufang , Pan Caofeng , Yang Zheng
Published: September 2023

Utilizing the pyro‐phototronic effect presents a potent approach to augment the efficacy of self‐powered photodetectors (PDs) that rely on metal halide perovskites (MHPs). Nevertheless, the pyro‐phototronic effect has thus far been restricted to perovskites possessing a non‐centrosymmetric crystal structure, limiting their scope of application. This study introduces a universal interfacial pyro‐phototronic effect (IPPE) strategy to MHP single crystals with centrosymmetry. The utilization of heterojunctions or Schottky junctions has resulted in the observation of typical four‐stage photoresponses with rapid speed, thereby significantly enhancing the performance of self‐powered PDs and expanding the spectral response range. The contact conditions, such as the choice of metals and surface smoothness, have an important impact on IPPE. The IPPE approach is a versatile technique that can be employed to fabricate self‐powered PDs based on diverse 3D and 2D perovskites. This study broadens the utilization of the pyro‐phototronic phenomenon in centrosymmetric perovskites, which offer advantages in producing optoelectronic devices with superior performance.
Advancements in Prelithiation Technology: Transforming Batteries from Li‐Shortage to Li‐Rich Systems
Authors: Zhong Wei , Zeng Ziqi , Cheng Shijie , Xie Jia
Published: September 2023

The sufficient and reversible active lithium is the cornerstone for the operation of high‐energy lithium‐ion batteries. However, active lithium is inevitably depleted due to the formation of a solid electrolyte and the presence of irreversible side reactions. The shortage of lithium in optimally designed batteries not only leads to a depreciation of energy density but also deteriorates the electrode structure resulting in degradation of cycle life. Inspiringly, prelithiation technology that additionally compensates for lithium has been proposed and is playing an increasingly significant role in enhancing battery energy density and prolonging cycle life. Herein, guided by the factors that initiate lithium loss, the action mechanism and the effectiveness of prelithiation are scrutinized. Moreover, the emerging advanced prelithiation technologies based on anode/cathode materials, the key barriers, and the applicability at scale are systematically summarized and compared. Integrating the challenges and development trends aspires to provide a comprehensive prelithiated hybrid lithium replenishment and storage technology as a reference in the scale‐up of prelithiation technologies.
Bio‐Inspired Cholesteric Phase Cellulose Composite with Thermochromic and Circularly Polarized Structural Color for Multilevel Encryption
Authors: Wen Xiaoxiang , Zhang Jinxia , Li Jianing , Li Yue , Shi Yuchen , Lu Xuegang , Yang Sen , Yu Jing
Published: September 2023

The escalating need for enhanced cryptographic security necessitates the development of advanced materials designed for the secure storage and transmission of information. Drawing inspiration from the unique color‐altering and polarizing capabilities of beetles, this work develops a transparent, thermochromic, and circularly polarized cholesteric phase cellulose composite (CPCC). This is achieved by integrating self‐assembled hydroxypropyl cellulose with cholesteric liquid crystal (CLC) structure in tandem with a crosslinked poly(N‐isopropyl acrylamide) (PNIPAM) network. The crosslinking density impacts the response degree of thermochromism, which can be regulated by modifying the UV exposure time during PNIPAM production. The CLC structure in CPCC uniquely results in reflected right circularly polarized light. When coupled with waveplates, this mechanism inverts the rotation direction of the reflected light, creating orthogonal structural colors of different brightness levels under left and right circularly polarized light. The excellent transparency of CPCC facilitates seamless integration with the environment, offering optimal camouflage. Sophisticated techniques, such as color coding and Morse coding, can further be incorporated within the CPCC to increase encryption security and the complexity of decryption. Collectively, the CPCC's transparency, thermochromism, and chirality present significant potential in the design and development of materials for high‐security information encryption, contributing valuable insights to the field.
Transparent Recombination Electrode with Dual‐Functional Transport and Protective Layer for Efficient and Stable Monolithic Perovskite/Organic Tandem Solar Cells
Authors: Ma Zongwen , Dong Yiman , Wang Ruyue , Xu Zhiyang , Li Minghua , Tan Zhan'ao
Published: September 2023

Rational selection and design of recombination electrodes (RCEs) are crucial to enhancing the power conversion efficiency (PCE) and stability of monolithic tandem solar cells (TSCs). Sputtered indium tin oxide (ITO) with high conductivity and excellent transmittance is introduced as RCE in perovskite/organic TSCs. To prevent high‐energy ITO particles destroy the underlying material during sputtering, dual‐functional transport and protective layer (C1) is employed. The styryl group in C1 can be thermally crosslinked to serve as a sputtering protective layer. Meanwhile, the conjugated phenanthroline skeleton in C1 shows high electron mobility and hole blocking capability to promote the electron transport process at the interfaces and effectively reduce charge accumulation. Monolithic perovskite/organic TSC with high PCE of 24.07% and excellent stability is demonstrated by stacking a 1.77 eV bandgap perovskite layer and a 1.35 eV bandgap organic active layer. This strategy provides new insights for overcoming the fundamental efficiency limits of single‐junction devices and promotes the further development of TSC devices.
The Lipid Metabolism as Target and Modulator of BOLD‐100 Anticancer Activity: Crosstalk with Histone Acetylation
Authors: Baier Dina , Mendrina Theresa , Schoenhacker‐Alte Beatrix , Pirker Christine , Mohr Thomas , Rusz Mate , Regner Benedict , Schaier Martin , Sgarioto Nicolas , Raynal Noël J.‐M. , Nowikovsky Karin , Schmidt Wolfgang M. , Heffeter Petra , Meier‐Menches Samuel M. , Koellensperger Gunda , Keppler Bernhard K. , Berger Walter
Published: September 2023

The leading first‐in‐class ruthenium‐complex BOLD‐100 currently undergoes clinical phase‐II anticancer evaluation. Recently, BOLD‐100 is identified as anti‐Warburg compound. The present study shows that also deregulated lipid metabolism parameters characterize acquired BOLD‐100‐resistant colon and pancreatic carcinoma cells. Acute BOLD‐100 treatment reduces lipid droplet contents of BOLD‐100‐sensitive but not ‐resistant cells. Despite enhanced glycolysis fueling lipid accumulation, BOLD‐100‐resistant cells reveal diminished lactate secretion based on monocarboxylate transporter 1 (MCT1) loss mediated by a frame‐shift mutation in the MCT1 chaperone basigin. Glycolysis and lipid catabolism converge in the production of protein/histone acetylation substrate acetyl‐coenzymeA (CoA). Mass spectrometric and nuclear magnetic resonance analyses uncover spontaneous cell‐free BOLD‐100‐CoA adduct formation suggesting acetyl‐CoA depletion as mechanism bridging BOLD‐100‐induced lipid metabolism alterations and histone acetylation‐mediated gene expression deregulation. Indeed, BOLD‐100 treatment decreases histone acetylation selectively in sensitive cells. Pharmacological targeting confirms histone de‐acetylation as central mode‐of‐action of BOLD‐100 and metabolic programs stabilizing histone acetylation as relevant Achilles’ heel of acquired BOLD‐100‐resistant cell and xenograft models. Accordingly, histone gene expression changes also predict intrinsic BOLD‐100 responsiveness. Summarizing, BOLD‐100 is identified as epigenetically active substance acting via targeting several onco‐metabolic pathways. Identification of the lipid metabolism as driver of acquired BOLD‐100 resistance opens novel strategies to tackle therapy failure.
Stabilized O3‐Type Layered Sodium Oxides with Enhanced Rate Performance and Cycling Stability by Dual‐Site Ti4+/K+ Substitution
Authors: Wu Lin‐Rong , Zhang Yu‐Han , Wu Zhen , Tian Jinlv , Wang Haorui , Zhao Haijun , Xu Shoudong , Chen Liang , Duan Xiaochuan , Zhang Ding , Guo Huijuan , You Ya , Zhu Zhi
Published: September 2023

High‐capacity O3‐type layered sodium oxides are considered one of the most promising cathode materials for the next generation of Na‐ion batteries (NIBs). However, these cathodes usually suffer from low high‐rate capacity and poor cycling stability due to structure deformation, native air sensitivity, and interfacial side reactions. Herein, a multi‐site substituted strategy is employed to enhance the stability of O3‐type NaNi0.5Mn0.5O2. Simulations indicate that the Ti substitution decreases the charge density of Ni ions and improves the antioxidative capability of the material. In addition, the synergistic effect of K+ and Ti4+ significantly reduces the formation energy of Na+ vacancy and delivers an ultra‐low lattice strain during the repeated Na+ extraction/insertion. In situ characterizations verify that the complicated phase transformation is mitigated during the charge/discharge process, resulting in greatly improved structure stability. The co‐substituted cathode delivers a high‐rate capacity of 97 mAh g−1 at 5 C and excellent capacity retention of 81% after 400 cycles at 0.5 C. The full cell paired with commercial hard carbon anode also exhibits high capacity and long cycling life. This dual‐ion substitution strategy will provide a universal approach for the new rational design of high‐capacity cathode materials for NIBs.
Electronic Asymmetry Engineering of Fe–N–C Electrocatalyst via Adjacent Carbon Vacancy for Boosting Oxygen Reduction Reaction
Authors: Tu Huanlu , Zhang Haixia , Song Yanhui , Liu Peizhi , Hou Ying , Xu Bingshe , Liao Ting , Guo Junjie , Sun Ziqi
Published: September 2023

Single‐atomic transition metal–nitrogen–carbon (M–N–C) structures are promising alternatives toward noble‐metal‐based catalysts for oxygen reduction reaction (ORR) catalysis involved in sustainable energy devices. The symmetrical electronic density distribution of the M─N4 moieties, however, leads to unfavorable intermediate adsorption and sluggish kinetics. Herein, a Fe–N–C catalyst with electronic asymmetry induced by one nearest carbon vacancy adjacent to Fe─N4 is conceptually produced, which induces an optimized d‐band center, lowered free energy barrier, and thus superior ORR activity with a half‐wave potential (E1/2) of 0.934 V in a challenging acidic solution and 0.901 V in an alkaline solution. When assembled as the cathode of a Zinc–air battery (ZAB), a peak power density of 218 mW cm−2 and long‐term durability up to 200 h are recorded, 1.5 times higher than the noble metal‐based Pt/C+RuO2 catalyst. This work provides a new strategy on developing efficient M–N–C catalysts and offers an opportunity for the real‐world application of fuel cells and metal–air batteries.
Elastomeric half‐mask respirator disinfection practices among healthcare personnel
Authors: Hines Stella E. , Thurman Paul , Zhuang Eileen , Chen Hegang , McDiarmid Melissa , Chalikonda Sricharan , Angelilli Sara , Waltenbaugh Hope , Napoli Meghan , Haas Emily , McClain Caitlin , Sietsema Margaret , Fernando Rohan
Published: September 2023

Background

Disposable N95 respirator shortages during the COVID‐19 and 2009 H1N1 influenza pandemics highlighted the need for reusable alternatives, such as elastomeric half‐mask respirators (EHMRs). Two US medical organizations deployed reusable EHMRs during the COVID‐19 response. In addition to wipe‐based disinfection following patient care episodes expected per local policies at both organizations, postshift centralized cleaning and disinfection (C&D) was expected at one site (A), permitting shared‐pool EHMR use, and optional at the other (Site B), where EHMRs were issued to individuals. Using a survey, we evaluated disinfection practices reported by EHMR users and predictors of disinfection behaviors and perceptions.

Methods

Surveys assessed EHMR disinfection practices, occupational characteristics, EHMR use frequency, training, and individual‐issue versus shared‐pool EHMR use.

Results

Of 1080 EHMR users completing the survey, 76% reported that they disinfect the EHMR after each patient encounter, which was the expected practice at both sites. Increasing EHMR use, recall of disinfection training, and work in intensive care or emergency settings significantly influenced higher reporting of this practice. 36% of respondents reported using centralized C&D, although reporting was higher at the site (A) where this was expected (53%). Confidence in cleanliness of the EHMR following centralized C&D was not influenced by individual versus shared‐pool EHMR issue.

Conclusions

Most EHMR users reported adherence with expected post‐care individual‐based disinfection of EHMRs but did not necessarily use standardized, centralized C&D. Future efforts to limit reliance on behavior related to respirator disinfection may improve EHMR implementation in healthcare to avert dependence on single‐use, disposable N95 respirators.
LC‐MS/MS and GC‐MS profiling, antioxidant, enzyme inhibition, and antiproliferative activities of Thymus leucostomus Hausskn. & Velen. extracts
Authors: Fayez Shaimaa , Fahmy Nouran M. , Zengin Gokhan , Yagi Sakina , Uba Abdullahi Ibrahim , Eldahshan Omayma A. , Koyuncu Ismail , Temiz Ebru , Dall'Acqua Stefano , Sut Stefania , Selvi Selami
Published: September 2023

The chemical composition as well as antioxidant, antiproliferative, and enzyme inhibition activities of extracts from aerial parts of Thymus leucostomus H
ausskn. & V
elen. obtained with hexane, methanol, and water were evaluated. Results showed that the methanol extract had significantly (p < 0.05) the highest total phenolic content (TPC; 107.80 mg GAE/g) and total flavonoids content (TFC; 25.21 mg RE/g) followed by the aqueous extract (102.72 mg GAE/g and 20.88 mg RE/g, respectively). LC‐MS/MS‐guided profiling of the three extracts revealed that rosmarinic acid (34.8%), hesperetin (42.9%), and linoleic acid (18%) were the dominant compounds in the methanol, aqueous and hexane extracts, respectively. GC‐MS analysis of the hexane extract showed that ɣ‐sitosterol (29.9%) was the major constituent. The methanol extract displayed significantly (p < 0.05) the highest Cu++, Fe+++, and Mo(VI) ions scavenging and reducing properties while the aqueous extract exerted significantly (p < 0.05) the highest metal chelating power (42.51 mg EDTAE/g). Both the hexane and methanol extracts effectively inhibited the acetylcholinesterase enzyme (2.63 and 2.65 mg GALAE/g, respectively) while the former extract exerted significantly (p < 0.05) the highest butyrylcholinesterase (2.32 mg GALAE/g), tyrosinase (19.73 mg KAE/g), and amylase (1.16 mmol ACAE/g) inhibition capacity. The aqueous extract exhibited the best glucosidase inhibition property (0.49 mmol ACAE/g). The methanol and hexane extracts exerted a higher cytotoxic effect on HT‐29 (IC50: 8.12 µg/mL) and HeLa (IC50 = 8.08 µg/mL) cells, respectively. In conclusion, these results provide valuable insight into the potential use of T. leucostomus bioactive extracts in different pharmaceutical applications.
Knowledge inheritance in disciplines: Quantifying the successive and distant reuse of references
Authors: Zhou Hongyu , Dong Ke , Xia Yikun
Published: September 2023

How the knowledge base of disciplines grows, renews, and decays informs their distinct characteristics and epistemology. Here we track the evolution of knowledge bases of 19 disciplines for over 45 years. We introduce the notation of knowledge inheritance as the overlap in the set of references between years. We discuss two modes of knowledge inheritance of disciplines—successive and distant. To quantify the status and propensity of knowledge inheritance for disciplines, we propose two indicators: one descriptively describes knowledge base evolution, and one estimates the propensity of knowledge inheritance. When observing the continuity in knowledge bases for disciplines, we show distinct patterns for STEM and SS&H disciplines: the former inherits knowledge bases more successively, yet the latter inherits significantly from distant knowledge bases. We further discover stagnation or revival in knowledge base evolution where older knowledge base ceases to decay after 10 years (e.g., Physics and Mathematics) and are increasingly reused (e.g., Philosophy). Regarding the propensity of inheriting prior knowledge bases, we observe unanimous rises in both successive and distant knowledge inheritance. We show that knowledge inheritance could reveal disciplinary characteristics regarding the trajectory of knowledge base evolution and interesting insights into the metabolism and maturity of scholarly communication.
Ag6Cu8(C=CAr)14(DPPB)2: A Rigid Ligand Co‐Protected Bimetallic Silver(I)‐Copper(I) Cluster with Room‐Temperature Luminescence
Authors: Jin Jun‐Ling , Zhang Sheng‐Fa , Zhao Pei , Shen Yang‐Lin , Fang Jun‐Jie , Liu Zheng , Ehara Masahiro , Mi Li‐Wei , Xie Yun‐Peng , Lu Xing
Published: September 2023

Metal clusters have become increasingly important in various applications, with ligands playing a crucial role in their construction. In this study, we synthesized a bimetallic cluster, Ag6Cu8(C=CAr)14(DPPB)2 (Ag6Cu8), using a rigid acetylene ligand, 3,5‐bis(trifluoromethyl)phenylacetylide. Through single‐crystal structure characterization, we discovered that the butterfly‐shaped Ag2Cu2 motifs were subject to distortion due to steric hindrance imposed by the rigid ligand. These motifs assembled together through shared vertices and edges. Mass spectrometry analysis revealed that the primary fragments detected during electrospray ionization (ESI) testing corresponded to the Ag2Cu2 motifs. Furthermore, we conducted a comprehensive investigation of the cluster's solution properties employing 31P NMR, UV‐vis absorption, and photoluminescent measurements. In contrast to previously reported Ag/Cu bimetallic clusters protected by flexible ligands, Ag6Cu8 protected by rigid ligands exhibited intriguing room temperature fluorescence properties alongside excellent thermal stability. DFT calculations on Ag6Cu8 and Ag6Cu8 with the rigid aromatic ring removed revealed that the presence of the rigid aromatic ring can lower the electronic energy levels of the cluster, and reduce the energy gap from 4.05 eV to 3.45 eV. Moreover, the rigid ligand further suppressed the non‐radiative transition process, leading to room temperature fluorescence emission.
CEO tenure and environmental fraud for listed family firms
Authors: Wang Yang , Zhang Yifei , Chang Xiao , Kang Wei
Published: September 2023

This paper examines CEO tenure's impact on the environmental fraud committed by listed Chinese family firms from the year 2012 to 2019. Using a bivariate probit model, we provide robust evidence that CEO tenure is positively related to the environmental fraud commission, indicating that longer‐serving CEOs are more likely to violate environmental regulations and to commit fraud in the family firms. Besides, when there is a higher proportion of independent directors, CEO tenure is negatively related to the environmental fraud commission but positively related to fraud detection. Moreover, when there is a greater proportion of family members in senior positions, CEOs with longer tenure are more likely to commit environmental fraud. Our additional analysis finds that compared to non‐family professional CEOs, family CEOs are more likely to commit environmental fraud. Overall, our results call for the introduction of CEO tenure limits and the increased recruitment of independent directors in family firms.
Personalized additive manufacturing of devices for the management of enteroatmospheric fistulas
Authors: Calero Castro Francisco José , Padillo Eguía Andrés , Durán Muñoz‐Cruzado Virginia , Tallón Aguilar Luis , Tinoco González José , Laga Imán , de la Portilla de Juan Fernando , Pareja Ciuró Felipe , Padillo Ruiz Javier
Published: September 2023

Additive manufacturing techniques allow the customized design of medical devices according to the patient's requirements. Enteroatmospheric fistula is a pathology that benefits from this personalization due to its extensive clinical variability since the size and morphology of the wound differ extensively among patients. Standard prosthetics do not achieve proper isolation of the wound, leading to a higher risk of infections. Currently, no effective personalized technique to isolate it has been described. In this work, we present the workflow for the design and manufacture of customized devices adapted to the fistula characteristics as it evolves and changes during the treatment with Negative Pressure Wound Therapy (NPWT). For each case, a device was designed with dimensions and morphology depending on each patient's requirements using white light scanning, CAD design, and additive manufacturing. The design and manufacture of the devices were performed in 230.50 min (184.00–304.75). After the placement of the device, the wound was successfully isolated from the intestinal content for 48–72 h. The therapy was applied for 27.71 ± 13.74 days, and the device was redesigned to adapt to the wound when geometrical evolutionary changes occur during the therapy. It was observed a decrease in weekly cures from 23.63 ± 10.54 to 2.69 ± 0.65 (p = 0.001). The fistulose size was reduced longitudinal and transversally by 3.25 ± 2.56 cm and 6.06 ± 3.14 cm, respectively. The wound depth also decreased by 1.94 ± 1.08 cm. In conclusion, customization through additive manufacturing is feasible and offers promising results in the generation of personalized devices for the treatment of enteroatmospheric fistula.
Exploring the application value of pro‐gastrin‐releasing peptide in the clinical diagnosis and surgical treatment of medullary thyroid carcinoma
Authors: Miao Qiang , Lv Xiaohui , Luo Li , Zhang Junlong , Cai Bei
Published: September 2023

Objective

To investigate the relationship between pro‐gastrin‐releasing peptide (ProGRP) and the clinical characteristics of patients with medullary thyroid carcinoma (MTC) and the value of ProGRP in surgical treatment monitoring.

Patients and Methods

A total of 347 patients with MTC and non‐MTC malignant and benign thyroid diseases were enrolled. The concentrations of neuron‐specific enolase (NSE), carcinoembryonic antigen (CEA), calcitonin (CT), and ProGRP were determined by Elecsys® assays. The NSE, CEA, CT, and ProGRP levels in different thyroid disease groups were compared, and ProGRP levels in different clinicopathological feature groups pre and postoperatively were further compared.

Results

The CT, CEA, NSE, and ProGRP levels were upregulated in the MTC group compared to those in the non‐MTC malignant and benign thyroid disease groups. The area under the receiver operating characteristic curve (AUC) of ProGRP for the diagnosis of MTC was 0.832(0.787–0.871), similar to that of CT and CEA. The sensitivity and specificity were 71.4% and 92.7%, respectively, and the optimal cut‐off value was 61.8 pg/mL. The AUC of ProGRP combined with CT or CEA for the diagnosis of MTC was 0.933 (0.900–0.958) and 0.922 (0.886–0.949), respectively, which were higher than those of a single index. ProGRP levels were higher in patients with lymph nodes and distant metastases than in patients without metastases. The postoperative level of ProGRP was lower than that before treatment.

Conclusion

ProGRP is comparable to CEA and CT as an MTC biomarker with broad prospects. It has potential application value in the progression of MTC assessment and the evaluation of surgical intervention effects.
A qualitative content analysis of ChatGPT's client simulation role‐play for practising counselling skills
Authors: Maurya Rakesh K.
Published: September 2023

Role‐play is often used as a pedagogical technique by counsellor educators to help counsellors‐in‐training (CITs) learn and practise counselling skills. This study used qualitative content analysis to assess the effectiveness of Chat Generative Pre‐Trained Transformer (ChatGPT), an artificial intelligence (AI) chatbot, in simulating client role‐play to facilitate practising counselling skills. The author used 10 case vignettes to conduct a simulated role‐play where ChatGPT was asked to simulate the client and author as counsellor. The results indicated that ChatGPT demonstrated authenticity, consistency, appropriate emotional expression, cultural sensitivity, empathy and self‐awareness while portraying the client. However, at times, ChatGPT's responses to the counsellor's questions appeared overly idealised, lacking the authenticity typically observed in real clients. Furthermore, ChatGPT, as a simulated client, lacked non‐verbal cues, limiting the overall experience of counselling skill practice. Recommendations for CITs and future research are discussed.
Phytochemical and Pharmacological Aspects of Psoralen – A Bioactive Furanocoumarin fromPsoralea corylifoliaLinn.
Authors: Tripathi Nancy , Bhardwaj Nivedita , Kumar Sanjay , Jain Shreyans K.
Published: September 2023

Since long ago, medicinal plants have played a vital role in drug discovery. Being blessed and rich in chemovars with diverse scaffolds, they have unique characteristics of evolving based on the need. The World Health Organization also mentions that medicinal plants remain at the center for meeting primary healthcare needs as the population relies on them. The plant‐derived natural products have remained an attractive choice for drug development owing to their specific biological functions relevant to human health and also the high degree of potency and specificity they offer. In this context, one such esteemed phytoconstituent with inexplicable biological potential is psoralen, a furanocoumarin. Psoralen was the first constituent isolated from the plantPsoralea corylifolia, commonly known as Bauchi. Despite being a life‐saver for psoriasis, vitiligo, and leukoderma, it also showed immense anticancer, anti‐inflammatory, and anti‐osteoporotic potential. This review brings attention to the possible application of psoralen as an attractive target for rational drug design and medicinal chemistry. It discusses the various methods for the total synthesis of psoralen, its extraction, the pharmacological spectrum of psoralen, and the derivatization done on psoralen.
A Pair of Undescribed Alkaloid Enantiomers from Marine Sponge‐Derived Fungus Hamigera avellanea and Their Antimicrobial and Cytotoxic Activities
Authors: Minh Le Thi Hong , Anh Nguyen Mai , Huyen Vu Thi Thu , Quyen Vu Thi , Dao Phi Thi , Huong Doan Thi Mai , Cuong Pham Van , Tuan Cao Duc , Kiem Phan Van , Tai Bui Huu
Published: September 2023

From marine sponge‐associated fungus Hamigera avellanea, thirteen secondary metabolites including a pair of undescribed alkaloid enantiomers (+)‐hamiavemin A (4S) (+)‐1 and (−)‐hamiavemin A (4R) (−)‐1. Compound 1 was enantiomers resolved by the Chiralpak AS‐3 column, using a hexane/isopropanol mobile phase. Their structures were determined based on extensive analyses of HR‐ESI‐MS, 1D and 2D NMR spectra. The absolute configuration of (+)‐1 and (−)‐1 were assigned tentatively by ECD calculations. Among the isolates, compound 6 showed strongest antibacterial activity against Enterococcus faecalis, Staphylococcus aureus, Bacillus cereus, Escherichia coli, Salmonella enterica, and Candida albicans with the MIC values of 2, 2, 16, 32, 64, and 16 μg/mL, respectively, which were stronger than that of the positive control compound, kanamycin (MIC values ranging from 4 to 128 μg/mL). In addition, compounds 1, 2, and 9 showed moderate cytotoxic activity against three cancer cell lines, HepG2, A549, and MCF‐7 with the IC50 values ranging from 55.35±1.70 to 83.02±2.85 μg/mL.
Reaction Pathways for Synthesis of Four Carbon Chemicals from Sugars and Sugar Derived Platform Chemicals
Authors: Palai Yayati Naresh , Fukuoka Atsushi , Shrotri Abhijit
Published: September 2023

Chemicals with a four‐carbon chain (C4 chemicals), like succinic acid, maleic acid, 1,4‐butanediol, and tetrahydrofuran are extensively used as commodity chemicals and polymer precursors. Currently, these chemicals are commercially synthesized from petrochemical based feedstocks. There is a growing interest in catalytic pathways for producing these and other C4 chemicals from biomass. However, biomass is mainly composed of hexose and pentose sugars and the natural abundance of a C4 feedstock is low. This review summarizes the current development in catalytic pathways for C4 chemical synthesis from biomass derived sugars and its derivatives and suggests future direction of research.
The Ring‐Opening Reaction of Benzofuran Involving the Cleavage of C−O Bond
Authors: Yu Jiahui , Huang Liangbin
Published: September 2023

Ring‐opening of (di)benzofurans is a significant area of research in organic chemistry, offering versatile and direct synthetic strategies to access valuable functional phenol derivatives. Transition metal catalysis, particularly nickel‐catalyzed reactions, has been extensively explored for the selective cleavage of the C−O bond in (di)benzofuran. Metal‐free methods, such as acid catalysis and strong base‐mediated process, have also emerged as important alternatives. Organometallic reagents, including Grignard and organolithium reagents, play a pivotal role in promoting efficient C−O bond activation. The field of (di)benzofuran ring opening holds great promise for the synthesis of complex molecules with diverse applications in pharmaceuticals, materials science, and fine chemical synthesis. Continued research efforts will pave the way for innovative strategies and broaden the utility of (di)benzofuran derivatives in various fields.
Synthesis and Enzymatic Conversion of Amino Acids Equipped with the Silanetriol Functionality: A Prelude to Silicon Biodiversification
Authors: Dussart‐Gautheret Jade , Rivollier Julie , Simon Cédric , De Simone Alessandro , Berthet Jérôme , Delbaere Stéphanie , Maruchenko Régina , Troufflard Claire , Lesage Denis , Gimbert Yves , Lemière Gilles , Marlière Philippe , Fensterbank Louis
Published: September 2023

Synthetic routes are reported for the three analogues of the simplest L‐2‐amino‐dicarboxylic acids, aspartate, glutamate, and aminoadipate, in which the silanetriol group (Si(OH)3) replaces the distal carboxyl group (CO2H). Direct access to the silanetriol amino acids relied either on catalytic hydrosilylation of a terminal alkene using triethoxysilane, or on alkylation of a glycine equivalent anion by triallyl(iodomethyl)silane. In both cases, acid hydrolysis afforded the silanetriol amino acids. These were shown to self‐assemble into siloxane Si‐O clusters as their concentration in water increased in the pH range of 1–12. Such reversible cross‐linking did not prevent silanetriol amino acids from serving as substrates of an aminotransferase enzyme, boding well for their utilization as microbial nutrients to encompass silicon in future stages of metabolism and polypeptide edifices.
Collective Synthesis of Sarpagine and Macroline Alkaloid‐Inspired Compounds
Authors: Aoyama Hikaru , Davies Caitlin , Liu Jie , Pahl Axel , Kirchhoff Jan‐Lukas , Scheel Rebecca , Sievers Sonja , Strohmann Carsten , Grigalunas Michael , Waldmann Herbert
Published: September 2023

Design strategies that can access natural‐product‐like chemical space in an efficient manner may facilitate the discovery of biologically relevant compounds. We have employed a divergent intermediate strategy to construct an indole alkaloid‐inspired compound collection derived from two different molecular design principles, i.e. biology‐oriented synthesis and pseudo‐natural products. The divergent intermediate was subjected to acid‐catalyzed or newly discovered Sn‐mediated conditions to selectively promote intramolecular C‐ or N‐acylation, respectively. After further derivatization, a collection totalling 84 compounds representing four classes was obtained. Morphological profiling via the cell painting assay coupled with a subprofile analysis showed that compounds derived from different design principles have different bioactivity profiles. The subprofile analysis suggested that a pseudo‐natural product class is enriched in modulators of tubulin, and subsequent assays led to the identification of compounds that suppress in vitro tubulin polymerization and mitotic progression.
Inhibitory Effect of Salicin on Staphylococcus aureus Coagulase
Authors: Jiang Yijing , Hou Juan , Liu Chang , Zhao Chunhui , Xu Yangming , Song Wu , Shu Zunhua , Wang Bingmei
Published: September 2023

The massive use of antibiotics has resulted in an alarming increase in antibiotic resistance in Staphylococcus aureus (S. aureus). This study aimed to identify the inhibitory effect of salicin on S. aureus. Coagulase (Coa) activity was assessed using in vitro Coa assays and Western blot, thermal shift assay (TSA), fluorescence quenching and molecular docking experiments were conducted to verify the interaction between salicin and Coa. An in vivo mouse pneumonia model demonstrated that salicin can reduce the virulence of S. aureus. In vitro Coa assays elucidated that salicin directly inhibited Coa activity. The Western blot and TSA results suggested that salicin did not block the expression of Coa but affected the thermal stability of the protein by binding to Coa. The fluorescence quenching, molecular docking and molecular dynamics assays have found that the most promising binding site between salicin and Coa was GLN‐97. The pneumonia model of mice infected with S. aureus revealed that salicin could not only reduce the content of lung bacteria in mice but also prolong their survival. Salicin was identified as a novel anti‐infective candidate compound with the potential to target Coa and inhibit its activity by binding to it, which would facilitate the development of roadmaps for future research.
Pincer Ligands as Multifunctional Agents for Alzheimer's Copper Dysregulation and Oxidative Stress: A Computational Evaluation
Authors: Puentes‐Díaz Nicolás , Chaparro Diego , Morales‐Morales David , Alí‐Torres Jorge , Flores‐Gaspar Areli
Published: September 2023

Alzheimer's disease (AD) is the most common form of dementia worldwide, affecting millions of people around the globe. AD is characterized by different pathologies being beta‐amyloid (Aβ) plaque formation, metal ion dysregulation, and oxidative stress (OS) central topics under investigation. Copper‐Aβ complexes have been shown to induce catalytic hydrogen peroxide formation and increase OS in the brain leading to neuronal death. Pincer‐type compounds are tridentate ligands that coordinate metals in a planar fashion whose properties can be tuned via group substitutions, giving rise to many possibilities in catalysis and drug discovery. In this work we evaluated the potential pharmaceutical activity of 26 pincer compounds in AD's copper ion‐related oxidative stress framework. In this sense, four key aspects were considered: 1) Lipinski's rule of five, 2) blood‐brain barrier permeation, 3) standard reduction potential (SRP) of the formed copper complexes, and 4) the ligand's affinity towards copper cations. The evaluation of these criteria was performed by means of bioinformatic tools and electronic structure calculations at the DFT level of theory. Our results suggest that two compounds from this set are potential antioxidant agents, whereas five of them are promissory distributor‐like compounds in the context of AD.
FLASH Genome Editing Pipeline: An Efficient and High‐Throughput Method to Construct Arrayed CRISPR Library for Plant Functional Genomics
Authors: Yao Lu , Wang Xiaochun , Ke Runnan , Chen Kaiyuan , Xie Kabin
Published: September 2023

CRISPR/Cas9 genome editing is a revolutionary technology for plant functional genomics and crop breeding. In this system, the Cas9 nuclease is directed by a guide RNA (gRNA) to cut the DNA target and introduce mutation through error‐prone DNA break repair. Owing to its simplicity, CRISPR/Cas9‐mediated targeted gene knockout is widely used for high‐throughput genetic screening in animal cell cultures and bacteria. However, high‐throughput genetic screening using CRISPR/Cas9 is still challenging in plants. We recently established a new approach, named the FLASH genome editing pipeline, to construct an arrayed CRISPR library in plants. In this pipeline, a set of 12 PCR fragments with different lengths (referred to as FLASH tags) are used to index the Cas9/gRNA vectors. Subsequently, a mixture of 12 Agrobacterium strains, in which each strain contained a FLASH‐tag indexed vector, was transformed into rice plants. As a result, a unique link between the target gene/gRNA and FLASH tag is generated, which allows reading gRNA information in bacterial strains and gene‐edited plants using regular PCR and gel electrophoresis. This protocol includes step‐by‐step instructions for gRNA design, high throughput assembly of FLASH‐tag indexed Cas9/gRNA plasmids, Agrobacterium‐mediated transformation of 12 indexed plasmids, and fast assignment of target gene information in primary transformants. The arrayed CRISPR library described here is suitable for small‐ to large‐scale genetic screening and allows fast and comprehensive gene function discovery in plants. © 2023 Wiley Periodicals LLC.

Basic Protocol 1: Assembly of FLASH‐tag‐indexed Cas9/gRNA plasmids

Basic Protocol 2: Preparation of the Cas9/gRNA plasmid library

Basic Protocol 3: Library preparation of Agrobacterium strains and mixing FLASH‐tag indexed strains

Basic Protocol 4: Grouped transformation and assignments of gRNA information of gene‐edited plants
Facile Synthesis of Large Bulk Crystal Based on Perovskite‐Quantum Dots Hybrid Structure
Authors: Han Jianhua , Zhao Shuang , Wang Zengyi , Yan Huiyu , Lin Hong , Su Yuyu
Published: September 2023

In this study, the fabrication of a large bulk crystal based on the hybrid structure of CH3NH3PbBr3 (MAPBr) and PbS quantum dots (QDs) with excellent crystal lattice match using an in situ epitaxial crystallization technique is presented. The hybrid bulk crystal is successfully constructed by uniformly dispersing PbS QDs within the MAPBr matrix. The crystalline growth method is also changed to achieve the desired hybrid structure. The light emission range is modulated and the light emission lifetime is prolonged by constructing a MAPBr‐PbS hybrid structure. Additionally, the hybrid bulk crystal exhibited an up‐conversion effect, which does not appear in MAPBr single crystal. These findings highlight the promising potential of the MAPBr‐PbS QDs hybrid bulk crystal in the fields of optics and photoelectronic, such as all solid‐state lasers, bio‐imaging, optical data storage, and photovoltaic applications. This in situ hybrid crystallization technique also provides a universal pathway for the preparation of other bulk crystals based on perovskite‐QDs hybrid structures.
Electrochemical Valorization of Glycerol via Electrocatalytic Reduction into Biofuels: A Review
Authors: Moklis Muhammad Harussani , Shuo Cheng , Boonyubol Sasipa , Cross Jeffrey S.
Published: September 2023

Electrochemical conversion of underutilized biomass‐based glycerol into high‐value‐added products provides a green approach for biomass and waste valorization. Plus, this approach offers an alternative to biofuel manufacturing procedure, under mild operating conditions, compared to the traditional thermochemical routes. Nevertheless, glycerol has been widely valorized via electrooxidation, with lower‐value products generated at the cathode, ignoring the electroreduction. Here, a review of the efficient glycerol reduction into various products via the electrocatalytic reduction (ECR) process was presented. This review has been built upon the background of glycerol underutilization and theoretical knowledge about the state‐of‐the‐art ECR. The experimental understanding of the processing parameter influences towards electrochemical efficiency, catalytic activity, and product selectivity are comprehensively reviewed, based on the recent glycerol ECR studies. We conclude by outlining present issues and highlighting potential future research avenues for enhanced ECR application.
A new triazolyl‐indolo‐quinoxaline induces apoptosis in gastric cancer cells by abrogating the STAT3/5 pathway through upregulation of PTPεC
Authors: Suresh Rajaghatta N. , Jung Young Y. , Mohan Chakrabhavi D. , Gowda Shalini V. , Harsha Kachigere B. , Mantelingu Kempegowda , Sethi Gautam , Ahn Kwang S. , Rangappa Kanchugarakoppal S.
Published: September 2023

Signal transducer and activator of transcription 3 (STAT3) and STAT5 are the transcription factors that have been studied extensively in relevance to the development of cancers in humans. Suppression of either STAT3 or STAT5‐mediated signaling events has been demonstrated to be effective in inducing cytotoxicity in cancer cells. Herein, new hybrids of triazolyl‐indolo‐quinoxaline are synthesized and examined for their effect on the activation of STAT3 and STAT5 pathways in gastric cancer (GC) cells. Among the newly synthesized compounds, 2,3‐difluoro‐6‐((1‐(3‐fluorophenyl)‐1H‐1,2,3‐triazol‐5‐yl)methyl)‐6H‐indolo[2,3‐b]quinoxaline (DTI) displayed selective cytotoxicity against GC cells over their normal counterpart. Flow cytometric analysis, annexin‐V‐fluorescein isothiocyanate staining, terminal deoxynucleotidyl transferase dUTP nick end labeling assay, live and dead assay, and caspase activation experiments suggested DTI as a potent inducer of apoptosis. The mechanistic approach revealed that DTI imparts cytotoxicity via downregulating the phosphorylation of STAT3Y705 and STAT5Y694/699. DTI significantly reduced the nuclear pool of STAT3/STAT5 and reduced the DNA interaction ability of STAT3/STAT5 as evidenced by immunofluorescence and electrophoretic mobility shift assay. Further investigation revealed that inhibitory effects towards STAT proteins were mediated through the suppression of upstream kinases such as JAK1, JAK2, and Src. Treatment of GC cells with pervanadate counteracted the DTI‐driven STAT3/STAT5 inhibition suggesting the involvement of tyrosine phosphatase. Upon DTI exposure, there was a significant upregulation in the mRNA and protein expression of PTPεC, which is a negative regulator of the JAK‐STAT pathway. Knockdown of PTPεC suppressed the DTI‐induced STATs inhibition in GC cells. Taken together, triazolyl‐indolo‐quinoxaline is presented as a new inhibitor of the STAT3/STAT5 pathway in GC cells.
Reconciling contrasting effects of nitrogen on host immunity and pathogen transmission using stoichiometric models
Authors: Van de Waal Dedmer B. , White Lauren A. , Everett Rebecca , Asik Lale , Borer Elizabeth T. , Frenken Thijs , González Angélica L. , Paseka Rachel , Seabloom Eric W. , Strauss Alexander T. , Peace Angela
Published: September 2023

Hosts rely on the availability of nutrients for growth, and for defense against pathogens. At the same time, changes in host nutrition can alter the dynamics of pathogens that rely on their host for reproduction. For primary producer hosts, enhanced nutrient loads may increase host biomass or pathogen reproduction, promoting faster density‐dependent pathogen transmission. However, the effect of elevated nutrients may be reduced if hosts allocate a growth‐limiting nutrient to pathogen defense. In canonical disease models, transmission is not a function of nutrient availability. Yet, including nutrient availability is necessary to mechanistically understand the response of infection to changes in the environment. Here, we explore the implications of nutrient‐mediated pathogen infectivity and host immunity on infection outcomes. We developed a stoichiometric disease model that explicitly integrates the contrasting dependencies of pathogen infectivity and host immunity on nitrogen (N) and parameterized it for an algal‐host system. Our findings reveal dynamic shifts in host biomass build‐up, pathogen prevalence, and the force of infection along N supply gradients with N‐mediated host infectivity and immunity, compared with a model in which the transmission rate was fixed. We show contrasting responses in pathogen performance with increasing N supply between N‐mediated infectivity and N‐mediated immunity, revealing an optimum for pathogen transmission at intermediate N supply. This was caused by N limitation of the pathogen at a low N supply and by pathogen suppression via enhanced host immunity at a high N supply. By integrating both nutrient‐mediated pathogen infectivity and host immunity into a stoichiometric model, we provide a theoretical framework that is a first step in reconciling the contrasting role nutrients can have on host–pathogen dynamics.
Dietary flavonoids and gut microbiota interaction: A focus on animal and human studies to maximize their health benefits
Authors: Yang Li , Gao Yongchao , Farag Mohamed A. , Gong Jupeng , Su Qiaoling , Cao Hui , Zhang Wei , Zhao Yonghua , Wang Hui
Published: September 2023

Flavonoids are phytochemicals that widely exist in plants, fruits, and vegetables and have a variety of activities. However, due to their complex structure, it is often rarely absorbed into the blood. Intestinal bacteria regarded as the third kind of human organ have attracted extensive attention in recent years. Complex structural flavonoids can be catabolized into low molecular weight phenolic acids under the action of intestinal bacteria and then absorbed into the blood, showing several protective effects on the body. In addition, the intake of flavonoids can also regulate the composition and function of intestinal flora. This paper comprehensively summarizes the interaction between flavonoids and intestinal flora, as well as the impact on human health, in order to provide some insights on how to combine intestinal microorganisms to select and ingest dietary polyphenols for future applications in medicine.
Incorporating Digital Twins In Early Research and Development of Megaprojects To Reduce Cost and Schedule Risk
Authors: Ritter Christopher , Rhoades Mark
Published: September 2023

Early‐stage research and development (ESR&D) plays a vital role in the product development lifecycle, necessitating innovative approaches to address the complex challenges faced during this phase. This article quantifies how the incorporation of digital twin (DT) technology can reduce cost and schedule risk during ESR&D and later lifecycle stages in megaprojects. The Idaho National Laboratory demonstrated the application of DT in the Microreactor AGile Non‐Nuclear Experimental Testbed (MAGNET) operations phase, showcasing the transformative potential of DT in both design and operation. These advances allowed real‐time assessment of construction changes and their impact on project requirements. By focusing on the benefits of digital twinning, this article aims to promote a more positive attitude toward the incorporation of digital twin technologies in the early stages of R&D projects.
Double‐Blind Crossover Trial of Diltiazem versus Propranolol in the Management of Thyrotoxic Symptoms
Authors: Milner Mark R. , Gelman Kenneth M. , Phillips Robert A. , Fuster Valentin , Davies Terry F. , Goldman Martin E.
Published: September 2023

We compared the efficacy of diltiazem and propranolol in a randomized, prospective, double‐blind, crossover study in six patients with untreated thyrotoxicosis (mean age 31 yrs). The patients received either diltiazem 60 mg orally four times a day or propranolol 40 mg orally four times a day, each for 1 week, separated by a 3‐day drug‐free period. Blood pressure, heart rate, thyroid hormone levels (free T4, T3), electrocardiogram, two‐dimensional and M‐mode echocardiograms, and Doppler studies were performed. In addition, 8 clinical signs and 18 symptoms of thyrotoxicosis were graded. All subjects felt better with drug therapy, with three preferring diltiazem to propranolol. No significant difference in clinical response or in hemodynamic effects was noted between the agents. These data suggest that diltiazem may serve as an alternative therapy for β blockers in controlling thyrotoxic symptoms in patients in whom β blockade may be contraindicated.