bluuebunny/crossref_metadata_2025 huggingface dataset:
Serological Evidence of Chikungunya Infection in Kaltungo, Gombe State, Nigeria
Authors: Muhammad Bashir , Babatunde Momodu Idris , Musa Umar Adamu , Bindawa Abdullahi Tanimu , Johnny Jennifer , Aliyu Mu’azzam Hassan , Salihu Sufyan Chiroma , Isiyaku Ayuba , Yusuf Katimu , Makeri Musa Sale
Published: September 2023

Introduction: Chikungunya is a re-emerging arthropod-borne viral disease that displays a large cell organ tropism, and causes a broad range of clinical symptoms in humans. The virus is listed on the WHO blueprint priority pathogens. However, Chikungunya is a neglected tropical disease in Nigeria and has never been investigated in Kaltungo. Chikungunya virus resembles malaria/typhoid fever in clinical syndrome; misdiagnosis is often common among clinicians.

Aim/Objectives: A descriptive cross-sectional hospital-based study was carried out aimed at “serological evidence of acute chikungunya virus infection among outpatients with febrile illness attending general hospital Kaltungo, Gombe State Nigeria”.

Materials and Methods: Rapid Test Device (RTD) and enzyme-linked immunosorbent assay (ELISA) were used to demonstrate the presence of acute infection due to CHIKV. A well-structured pre-tested questionnaire along with the consent forms was used to collect both demographic and clinical information of the study participants.

Results: Sera of 200 consented patients examined, 112(56%) females and 88(44%) males were collected. Chi-square test was used for the analysis. Of the Sera tested, 14(7.0%) and 18(9.0%) were found to be positive for CHIKV IgM antibody using RTD and ELISA, respectively. There were statistical significant associations between gender, age and CHIKV infection (P≤0.05); males had 9(4.5%) IgM while females had 5(2.5%), age group 31-40 years had the highest positivity of 3.5% IgM and was found to be more infected with the virus. IgM antibody was detected higher 16(8.0%) among samples collected from 1-7 days while only 2(1.0%) were obtained on samples collected from 7-10 days. Antimalarial/antibiotic intake and recent travelling had not shown any statistical significant association (P>0.05).

Conclusion: The techniques used in this study revealed the presence of CHIKV IgM antibody among febrile patients evidencing the existence of CHIKV in Kaltungo.

Recommendation: There is need for the inclusion of CHIKV in routine differential diagnosis of febrile patients to avoid misdiagnosis of febrile conditions.
Determinants of Participation in MGNREGA: A Case Study of Kathua District, J&K, India
Authors: Ahemad Shamim , Sharma Priya
Published: September 2023

MGNREGA is a footstep by the Government of India which has changed the status of the rural households and their employment pattern by securing livelihood through guaranteed wage employment. This scheme was implemented in Kathua District in 2008-09 in its final phase when the entire state of Jammu & Kashmir was covered. The present paper tries to estimate econometrically the impact of various determinants of MGNREGA beneficiaries by using the Logit model in the Kathua district and has also examined the socio-demographic determinants of participation in MGNREGA. The estimated result of Logit model illustrate that wages influence the status of MGNREGA beneficiaries as people who earned wages from unorganized sector are more probable to engage under MGNREGA.
Ulcerative Colitis in Adults
Authors: Gros Beatriz , Kaplan Gilaad G.
Published: September 2023

Importance

Ulcerative colitis (UC) is a chronic inflammatory condition of the colon, with a prevalence exceeding 400 per 100 000 in North America. Individuals with UC have a lower life expectancy and are at increased risk for colectomy and colorectal cancer.

Observations

UC impairs quality of life secondary to inflammation of the colon causing chronic diarrhea and rectal bleeding. Extraintestinal manifestations, such as primary sclerosing cholangitis, occur in approximately 27% of patients with UC. People with UC require monitoring of symptoms and biomarkers of inflammation (eg, fecal calprotectin), and require colonoscopy at 8 years from diagnosis for surveillance of dysplasia. Risk stratification by disease location (eg, Montreal Classification) and disease activity (eg, Mayo Score) can guide management of UC. First-line therapy for induction and maintenance of remission of mild to moderate UC is 5-aminosalicylic acid. Moderate to severe UC may require oral corticosteroids for induction of remission as a bridge to medications that sustain remission (biologic monoclonal antibodies against tumor necrosis factor [eg, infliximab], α4β7 integrins [vedolizumab], and interleukin [IL] 12 and IL-23 [ustekinumab]) and oral small molecules that inhibit janus kinase (eg, tofacitinib) or modulate sphingosine-1-phosphate (ozanimod). Despite advances in medical therapies, the highest response to these treatments ranges from 30% to 60% in clinical trials. Within 5 years of diagnosis, approximately 20% of patients with UC are hospitalized and approximately 7% undergo colectomy. The risk of colorectal cancer after 20 years of disease duration is 4.5%, and people with UC have a 1.7-fold higher risk for colorectal cancer compared with the general population. Life expectancy in people with UC is approximately 80.5 years for females and 76.7 years for males, which is approximately 5 years shorter than people without UC.

Conclusions and Relevance

UC affects approximately 400 of every 100 000 people in North America. An effective treatment for mild to moderate UC is 5-aminosalicylic acid, whereas moderate to severe UC can be treated with advanced therapies that target specific inflammation pathways, including monoclonal antibodies to tumor necrosis factor, α4β7 integrins, and IL-12 and IL-23 cytokines, as well as oral small molecule therapies targeting janus kinase or sphingosine-1-phosphate.
Phosphatidylethanol vs Transdermal Alcohol Monitoring for Detecting Alcohol Consumption Among Adults
Authors: Hahn Judith A. , Fatch Robin , Barnett Nancy P. , Marcus Gregory M.
Published: September 2023

Importance

Alcohol biomarkers can improve detection of heavy alcohol use in clinical care, yet cutoffs for phosphatidylethanol (PEth), a blood biomarker, have not been established.

Objective

To determine the optimal cutoff for PEth for heavy alcohol consumption in a study of middle-age and older adults.

Design, Setting, and Participants

This was a 4-week diagnostic study of adults with paroxysmal atrial fibrillation (AF) and current alcohol consumption, recruited from general cardiology and cardiac electrophysiology outpatient clinics from September 2014 to September 2019. Data were analyzed from October 2021 to March 2022.

Main Outcomes and Measures

The main aim was to determine the optimal PEth cutoff for heavy alcohol consumption, using the Secure Continuous Remote Alcohol Monitor (SCRAM) to measure transdermal alcohol. Area under the curve (AUC) for PEth-detected compared with SCRAM-detected heavy alcohol consumption in any week over the prior 4 weeks (ie, ≥3 [women] and ≥4 [men] episodes) or any estimated breath alcohol of 0.08% or greater in any week, and the PEth cutoff was calculated using the Youden J statistic. Similar analyses were conducted comparing PEth with individual drinks reported by pressing an event monitor, retrospective self-report via the Alcohol Use Disorders Identification Test–Consumption (AUDIT-C), and using 2-week look-backs.

Results

In this diagnostic study of 64 patients with both PEth and SCRAM measures over 4 weeks (54 [84.4%] men; mean age, 65.5 [95% CI, 62.6-68.5] years; 51 [79.7%] White), 31 (48.4%) had any SCRAM-detected heavy alcohol consumption over the 4 weeks, and the median (IQR) PEth at 4 weeks was 23 ng/mL (<limit of quantification to 60 ng/mL). The AUC for PEth vs any SCRAM-detected heavy alcohol consumption was 0.83 (95% CI, 0.72-0.93). The optimal PEth cutoff was 18.5 ng/mL (AUC, 0.83; 95% CI, 0.72-0.93), with sensitivity of 83.9% (95% CI, 66.3%-94.5%) and specificity of 72.7% (95% CI, 54.5%-86.7%). The PEth test characteristics by individual drink reporting using the event monitors and by the AUDIT-C, and by these measures and by SCRAM collected for 2-week intervals, were similar to those compared with the 4-week SCRAM.

Conclusions and Relevance

In a predominately middle-age and older White male population, PEth compared well with SCRAM. A PEth cutoff of 18.5 ng/mL (or rounded to 20 ng/mL, a recommended PEth cutoff for significant alcohol consumption) can be used in clinical care to detect heavy alcohol consumption in middle-age and older men.
Morphology of Passives
Authors: Cabredo Hofherr Patricia
Published: September 2023

This entry presents an overview of the morphology found in passive constructions. Passive constructions vary with respect to a range of properties linked to object promotion and subject demotion. In particular, passives differ in the patterns of morphological, syntactic and semantic restrictions they display. The discussion of the morphological marking of passive constructions pays particular attention to the grammatical restrictions observed with different passive constructions.
Diradical‐Featured Organic Small‐Molecule Photothermal Material Based on 4,6‐di(2‐thienyl)thieno[3,4‐c][1,2,5]thiadiazole for Photothermal Immunotherapy
Authors: Yang Chunyu , Guo Lixin , Zhang Kaixin , Wang Guan , Yu Qingsong , Gan Zhihua , Gu Xinggui
Published: September 2023

Photothermal immunotherapy can provide an efficient and convenient strategy for cancer treatment by inducing immunogenic cell death (ICD) to generate vaccine‐like functions in situ, which highly relies on suitable photothermal agents with superior photothermal effect. Herein, a novel diradical‐featured organic small‐molecule photothermal material (TTD‐TPE) based on 4,6‐di(2‐thienyl)thieno[3,4‐c][1,2,5]thiadiazole and tetraphenylethylene is developed to exhibit near‐infrared (NIR) absorption of 808 nm, high photothermal conversion efficiency (PTCE) of about 75%, and superior photoacoustic imaging (PAI) property in nanoparticle. The excellent photothermal effect of TTD‐TPE nanoparticles originates from the integrated synergic effect of D–A interactions, diradical character, and excited‐state intramolecular motion, which not only ablates the primary tumor by localized high temperature but also transforms the primary tumor into vaccine in situ through ICD to inhibit the growth of distant and metastatic tumors, demonstrating the huge potential in photothermal immunotherapy. Thus, this finding encourage researchers to develop superior organic small‐molecule photothermal materials to boost the simple but useful modality for cancer treatment.
Hydrogen Ion Capturing Hydrogel Microspheres for Reversing Inflammaging
Authors: Zheng Dandan , Chen Wei , Chen Tongtong , Chen Xiuyuan , Liang Jing , Chen Hao , Shen Hongxing , Deng Lianfu , Ruan Huitong , Cui Wenguo
Published: September 2023

Inflammaging is deeply involved in aging‐related diseases and can be destructive during aging. The maintenance of pH balance in the extracellular microenvironment can alleviate inflammaging and repair aging‐related tissue damage. In this study, the hydrogen ion capturing hydrogel microsphere (GMNP) composed of mineralized transforming growth factor‐β (TGF‐β) and catalase (CAT) nanoparticles is developed via biomimetic mineralization and microfluidic technology for blocking the NLRP3 cascade axis in inflammaging. This GMNP can neutralize the acidic microenvironment by capturing excess hydrogen ions through the calcium carbonate mineralization layer. Then, the subsequent release of encapsulated TGF‐β and CAT can eliminate both endogenous and exogenous stimulus of NLRP3, thus suppressing the excessive activation of inflammaging. In vitro, GMNP can suppress the excessive activation of the TXNIP/NLRP3/IL‐1β cascade axis and enhance extracellular matrix (ECM) synthesis in nucleus pulposus cells. In vivo, GMNP becomes a sustainable and stable niche with microspheres as the core to inhibit inflammaging and promote the regeneration of degenerated intervertebral discs. Therefore, this hydrogen ion‐capturing hydrogel microsphere effectively reverses inflammaging by interfering with the excessive activation of NLRP3 in the degenerated tissues.
Atomic Zincophilic Sites Regulating Microspace Electric Fields for Dendrite‐Free Zinc Anode
Authors: Fan Wenjie , Li Ping , Shi Jing , Chen Jingwei , Tian Weiqian , Wang Huanlei , Wu Jingyi , Yu Guihua
Published: September 2023

Aqueous Zn metal batteries are promising candidates for large‐scale energy storage due to their intrinsic advantages. However, Zn tends to deposit irregularly and forms dendrites driven by the uneven space electric field distribution near the Zn‐electrolyte interphase. Herein it is demonstrated that trace addition of Co single atom anchored carbon (denoted as CoSA/C) in the electrolyte regulates the microspace electric field at the Zn‐electrolyte interphase and unifies Zn deposition. Through preferential adsorption of CoSA/C on the Zn surface, the atomically dispersed Co‐N3 with strong charge polarization effect can redistribute the local space electric field and regulate ion flux. Moreover, the dynamic adsorption/desorption of CoSA/C upon plating/stripping offers sustainable long‐term regulation. Therefore, Zn||Zn symmetric cells with CoSA/C electrolyte additive deliver stable cycling up to 1600 h (corresponding to a cumulative plated capacity of 8 Ah cm−2) at a high current density of 10 mA cm−2, demonstrating the sustainable feature of microspace electric field regulation at high current density and capacity.
B(C6F5)3‐Catalyzed One‐Pot Tandem Diastereoselective Synthesis of cis‐2,3‐Disubstituted 1,2,3,4‐Tetrahydroquinoxalines and cis‐2,4‐Disubstituted 2,3,4,5‐Tetrahydro‐1H‐1,5‐benzodiazepines
Authors: Luo Zhenli , Yang Ji , Yao Zhen , Yang Jianbo , Xu Lijin , Shi Qian
Published: September 2023

B(C6F5)3‐catalyzed one‐pot tandem cyclization/hydrosilylation of easily accessible 1,2‐diaminobenzenes and 1,2‐ and 1,3‐diketones with polymethylhydrosiloxane (PMHS) has been developed for step‐economic diastereoselective synthesis of cis‐2,3‐disubstituted 1,2,3,4‐tetrahydroquinoxalines and cis‐2,4‐disubstituted 2,3,4,5‐tetrahydro‐1H‐1,5‐benzodiazepines. This metal‐free catalytic protocol provides access to various differently substituted products in 53–95% yield and with diastereoselectivities ranging from 6:1 to 20:1. The diastereoselectivity strongly depends on the choice of hydrosilane, with PMHS being optimal. The reaction is operationally simple and readily scaled up, and proceeds without exclusion of air and moisture.
Bioengineered Hyaluronan Hydrogels for the Delivery of Molecular and Cellular Therapies
Authors: Silva Joana , Azevedo Helena S.
Published: September 2023

Hyaluronan (HA) is an extracellular matrix (ECM)‐based polymer with unique physicochemical properties including biocompatibility, biodegradability, viscoelasticity, and high‐water retention. However, its solubility in water drastically reduces its half‐life in vivo. Through judicious chemical modifications, its structure is easily crosslinked and can conjugate with numerous therapeutic molecules, extending their therapeutic function. Throughout this review, an overview of crosslinking methods to create HA hydrogels is provided, including covalent (permanent, transient/dynamic) and noncovalent chemistries, as well as the use of nonmodified HA in supramolecular hydrogels. HA‐based injectable hydrogels are very appealing as a three‐dimensional network for the delivery of therapeutic molecules (drugs and biomolecules) and stem cells. HA hydrogels are capable of mimicking important features of the native ECM and can provide spatiotemporal signals to regulate cell fate. The final part of the review also describes the application of HA hydrogels as vehicles for delivering stem cells and therapeutics, capable of modulating cell behavior.
Data‐Driven Virtual Material Analysis and Synthesis for Solid Electrolyte Interphases
Authors: Rajagopal Deepalaxmi , Koeppe Arnd , Esmaeilpour Meysam , Selzer Michael , Wenzel Wolfgang , Stein Helge , Nestler Britta
Published: September 2023

Solid electrolyte interphases (SEIs) form as reduction products at the electrodes and strongly affect battery performance and safety. Because SEI formation poses a highly nonlinear, complex multi‐physics problem over various lengths and time scales, traditional modeling approaches struggle to characterize SEI evolution solely with existing physical properties. To improve the characterization of SEIs, it proposes a data‐driven strategy for a virtual material design that learns to represent and characterize SEI formation with physical and data‐driven properties from kinetic Monte Carlo simulations. A Variational AutoEncoder with a property regressor learns data‐driven properties, which represent SEI configurations and correlate with physical target properties. This new neural network design encodes the high‐dimensional structural and reaction spaces into a lower‐dimensional latent space, while the property regressor orders the latent space by physical target properties. The model achieves high correlation scores between target and predicted properties from latent representations, thereby proving that the data‐driven properties enrich the expressiveness of SEI characterizations.
Identification of the first homozygous intragenic deletion in the YY1AP1 gene in a consanguineous family: New insights into the phenotypic variability associated with Grange syndrome
Authors: Viora‐Dupont E. , Denommé‐Pichon A. , Chevarin M. , Patat O. , Willems M. , Bourgon N. , Bruel A. , Aubert‐Mucca M. , Galinier M. , Itier R. , Decramer S. , Piton A. , Gerard B. , Billon C. , Jeunemaitre X. , Duffourd Y. , Callier P. , Thauvin C. , Philippe C. , Faivre L. , Albuisson J. , Vitobello A.
Published: September 2023

Grange syndrome (GRNG—MIM#135580) is a rare recessive disorder associating variable features including diffuse vascular stenosis, brachysyndactyly, osteopenia with increased bone fragility, cardiac malformations, and variable developmental delay. Since its first description in 1998, only 15 individuals from 10 families have been reported, carrying homozygous or compound heterozygous frameshift or nonsense variants in YY1AP1. In a patient with cutaneous and bone syndactyly and a hemorrhagic stroke at the age of 16 months, consistent with a clinical diagnosis of GRNG, we performed exome sequencing after negative array‐CGH and congenital limb malformation panel results. Copy number variant analysis from exome data identified a homozygous intragenic out‐of‐frame deletion of 1.84 kb encompassing exons seven and eight of YY1AP1, confirming a molecular diagnosis of GRNG. Genetic counseling led to the identification of additional family members compatible with GRNG. Here, we provide new insights into the phenotypic variability associated with GRNG and highlight the utility of the detection of small copy number variants to identify the molecular causes of heterogeneous malformative genetic disorders.
Variable phenotype of a null PPP1R13L allele in children with dilated cardiomyopathy
Authors: Tulbah Sahar , Alruwaili Nadiah , Alhashem Amal , Aljohany Arwa , Alhadeq Faten , Brotons Dimpna C. Albert , Alwadai Abdullah , Al‐Hassnan Zuhair N.
Published: September 2023

Childhood‐onset cardiomyopathy is a genetically heterogeneous group of conditions with several genes implicated. Recently, biallelic loss‐of‐function variants in PPP1R13L have been reported in association with a syndromic form of dilated cardiomyopathy (DCM). In addition, affected children manifest skin and hair abnormalities, cleft lip and palate (CLP), and eye findings. Here, we delineate the condition further by describing the phenotype associated with a homozygous frameshift variant (p.Arg330 ProfsTer76) in PPP1R13L detected in two sibships in a consanguineous family with six affected children. The index case had DCM and wooly hair, two of his siblings had DCM and CLP while three cousins had, in addition, glaucoma. Global developmental delay was observed in one child. All the children, except one, died during early childhood. Whole exome sequencing and whole genome sequencing did not reveal any other plausible variant. We provide further evidence that implicates PPP1R13L in a variable syndromic form of severe childhood‐onset DCM and suggests expanding the spectrum of this condition to include glaucoma. Given the variability of the phenotype associated with PPP1R13‐related DCM, a thorough evaluation of each case is highly recommended even in the presence of an apparently isolated DCM.
Photoredox‐Catalyzed Three‐Component Difluoroalkylation of Quinoxalin‐2(1H)‐ones with Unactivated Vinylarenes and [Ph3PCF2H]+Br−
Authors: Xu Yuandong , Qu Hongzhao , Yuan Jinwei , Guo Na , Yang Liangru , Yin Yanli , Qu Lingbo , Mao Jian
Published: September 2023

An efficient synthesis of a variety of 3‐difluoroalkyl quinoxalin‐2(1H)‐ones via a photoredox‐catalyzed three‐component reaction between quinoxalin‐2(1H)‐ones, vinylarenes, with inexpensive and easily accessible difluoromethyltriphenyl phosphonium bromide salt as the difluoromethylated reagent is described. This protocol shows excellent reactivity, providing a wide range of difluoroalkyl‐substituted quinoxalin‐2(1H)‐ones in moderate to excellent yields under mild conditions. A difluoroalkyl radical intermediate was involved in this three‐component transformation.
Molecular Stacking and Aggregation Optimization of Photoactive Layer through Solid Additive Enables High‐Performance Organic Solar Cells
Authors: Zhang Wenjing , Wu Yue , Ma Ruijie , Fan Hongyu , Li Xiaoxiao , Yang Hang , Cui Chaohua , Li Yongfang
Published: September 2023

Regulating molecular packing and aggregation of photoactive layer is a critical but challenging issue in developing high‐performance organic solar cells. Herein, two structurally similar analogues of anthra[2,3‐b : 6,7‐b′]dithiophene (ADT) and naphtho[1,2‐b : 5,6‐b′]dithiophene (NDT) are developed as solid additive to exploit their effect in regulating the molecular aggregation and π‐stacking of photoactive layer. We clarify that the perpendicular arrangements of NDT can enlarge the molecular packing space and improve the face‐on stacking of Y6 during the film formation, favoring a more compact and ordered long‐range π‐π stacking in the out‐of‐plane direction after the removal of NDT under thermal annealing. The edge‐to‐face stacked herringbone‐arrangement of ADT along with its non‐volatilization under thermal annealing can induce the coexistence of face‐on and edge‐on stacking of blend film. As a result, the NDT treatment shows encouraging effect in improving the photovoltaic performance of devices based on various systems. Particularly, a remarkable PCE of 18.85 % is achieved in the PM6 : L8‐BO‐based device treated by NDT additive, which is a significant improvement with regard to the PCE of 16.41 % for the control device. This work offers a promising strategy to regulate the molecular packing and aggregation of photoactive layer towards significantly improved performance and stability of organic solar cells.
Heavy‐Atom Tunneling in Bicyclo[4.1.0]hepta‐2,4,6‐trienes
Authors: Prado Merini Melania , Schleif Tim , Sander Wolfram
Published: September 2023

Heavy‐atom tunneling limits the lifetime and observability of bicyclo[4.1.0]hepta‐2,4,6‐triene, a key intermediate in the rearrangement of phenylcarbene. Bicyclo[4.1.0]hepta‐2,4,6‐triene had been proposed as the primary intermediate of the rearrangement of phenylcarbene, but despite many efforts evaded its characterization even in cryogenic matrices. By introducing fluorine substituents into theortho‐positions of the phenyl ring of phenylcarbene, the highly strained cyclopropene 1,5‐difluorobicyclo[4.1.0]hepta‐2,4,6‐triene becomes stable enough to be characterized in argon matrices. However, even at 3 K this cyclopropene is only metastable and rearranges via heavy‐atom tunneling to the corresponding cycloheptatetraene. Calculations suggest that fluorination is necessary to slow down the tunneling rearrangement of the bicycloheptatriene. The parent bicycloheptatriene rapidly rearranges via heavy‐atom tunneling and therefore cannot be detected under matrix isolation conditions.
Adaptive Supramolecular Networks: Emergent Sensing from Complex Systems
Authors: Selinger Allison J. , Hof Fraser
Published: September 2023

Molecular differentiation by supramolecular sensors is typically achieved through sensor arrays, relying on the pattern recognition responses of large panels of isolated sensing elements. Here we report a new one‐pot systems chemistry approach to differential sensing in biological solutions. We constructed an adaptive network of three cross‐assembling sensor elements with diverse analyte‐binding and photophysical properties. This robust sensing approach exploits complex interconnected sensor‐sensor and sensor‐analyte equilibria, producing emergent supramolecular and photophysical responses unique to each analyte. We characterize the basic mechanisms by which an adaptive network responds to analytes. The inherently data‐rich responses of an adaptive network discriminate among very closely related proteins and protein mixtures without relying on designed protein recognition elements. We show that a single adaptive sensing solution provides better analyte discrimination using fewer response observations than a sensor array built from the same components. We also show the network's ability to adapt and respond to changing biological solutions over time.
Selective Oxidative Dehydrogenation of Ethane and Propane over Copper‐Containing Mordenite: Insights into Reaction Mechanism and Product Protection
Authors: Artsiusheuski Mikalai A. , Verel René , van Bokhoven Jeroen A. , Sushkevich Vitaly L.
Published: September 2023

Copper(II)‐containing mordenite (CuMOR) is capable of activation of C−H bonds in C1‐C3 alkanes, albeit there are remarkable differences between the functionalization of ethane and propane compared to methane. The reaction of ethane and propane with CuMOR results in the formation of ethylene and propylene, while the reaction of methane predominantly yields methanol and dimethyl ether. By combining in situ FTIR and MAS NMR spectroscopies as well as time‐resolved Cu K‐edge X‐ray absorption spectroscopy, the reaction mechanism was derived, which differs significantly for each alkane. The formation of ethylene and propylene proceeds via oxidative dehydrogenation of the corresponding alkanes with selectivity above 95 % for ethane and above 85 % for propane. The formation of stable π‐complexes of olefins with CuI sites, formed upon reduction of CuII‐oxo species, protects olefins from further oxidation and/or oligomerization. This is different from methane, the activation of which proceeds via oxidative hydroxylation leading to the formation of surface methoxy species bonded to the zeolite framework. Our findings constitute one of the major steps in the direct conversion of alkanes to important commodities and open a novel research direction aiming at the selective synthesis of olefins.
An Unlocked Two‐Dimensional Conductive Zn‐MOF on Polymeric Carbon Nitride for Photocatalytic H2O2 Production
Authors: Li Yunxiang , Guo Yan , Luan Deyan , Gu Xiaojun , Lou Xiong Wen (David)
Published: September 2023

Developing highly efficient catalytic sites for O2 reduction to H2O2, while ensuring the fast injection of energetic electrons into these sites, is crucial for artificial H2O2 photosynthesis but remains challenging. Herein, we report a strongly coupled hybrid photocatalyst comprising polymeric carbon nitride (CN) and a two‐dimensional conductive Zn‐containing metal–organic framework (Zn‐MOF) (denoted as CN/Zn‐MOF(lc)/400; lc, low crystallinity; 400, annealing temperature in °C), in which the catalytic capability of Zn‐MOF(lc) for H2O2 production is unlocked by the annealing‐induced effects. As revealed by experimental and theoretical calculation results, the Zn sites coordinated to four O (Zn‐O4) in Zn‐MOF(lc) are thermally activated to a relatively electron‐rich state due to the annealing‐induced local structure shrinkage, which favors the formation of a key *OOH intermediate of 2e− O2 reduction on these sites. Moreover, the annealing treatment facilitates the photoelectron migration from the CN photocatalyst to the Zn‐MOF(lc) catalytic unit. As a result, the optimized catalyst exhibits dramatically enhanced H2O2 production activity and excellent stability under visible light irradiation.
Sabatier Relations in Electrocatalysts Based on High‐entropy Alloys with Wide‐distributed d‐band Centers for Li‐O2 Batteries
Authors: Tian Jiaming , Rao Yuan , Shi Wenhui , Yang Jiawei , Ning Wenjie , Li Haoyu , Yao Yonggang , Zhou Haoshen , Guo Shaohua
Published: September 2023

Li‐O2 battery (LOB) is a promising “beyond Li‐ion” technology with ultrahigh theoretical energy density (3457 Wh kg−1), while currently impeded by the sluggish cathodic kinetics of the reversible gas‐solid reaction between O2 and Li2O2. Despite many catalysts are developed for accelerating the conversion process, the lack of design guidance for achieving high performance makes catalysts exploring aleatory. The Sabatier principle is an acknowledged theory connecting the scaling relationship with heterogeneous catalytic activity, providing a tradeoff strategy for the topmost performance. Herein, a series of catalysts with wide‐distributed d‐band centers (i.e., wide range of adsorption strength) are elaborately constructed via high‐entropy strategy, enabling an in‐depth study of the Sabatier relations in electrocatalysts for LOBs. A volcano‐type correlation of d‐band center and catalytic activity emerges. Both theoretical and experimental results indicate that a moderate d‐band center with appropriate adsorption strength propels the catalysts up to the top. As a demonstration of concept, the LOB using FeCoNiMnPtIr as catalyst provides an exceptional energy conversion efficiency of over 80 %, and works steadily for 2000 h with a high fixed specific capacity of 4000 mAh g−1. This work certifies the applicability of Sabatier principle as a guidance for designing advanced heterogeneous catalysts assembled in LOBs.
Taming of Furfurylidenes by Chiral Bismuth‐Rhodium Paddlewheel Catalysts. Preparation and Functionalization of Optically Active 1,1‐Disubstituted (Trifluoromethyl)cyclopropanes
Authors: Peeters Matthias , Decaens Jonathan , Fürstner Alois
Published: September 2023

Although 2‐furyl‐carbenes (furfurylidenes) are prone to instantaneous electrocyclic ring opening, chiral [BiRh]‐paddlewheel complexes empowered by London dispersion allow (trifluoromethyl)furfurylidene metal complexes to be generated from a bench‐stable triftosylhydrazone precursor. These reactive intermediates engage in asymmetric [2+1] cycloadditions and hence open entry into valuable trifluoromethylated cyclopropane or ‐cyclopropene derivatives in optically active form, which are important building blocks for medicinal chemistry but difficult to make otherwise.
Effects of branched‐chain fatty acid triacylglycerols on the crystallization of palm oil‐based blends
Authors: Han Junze , Yang Dongying , Zhang Hong , Bi Yanlan , Xu Xuebing
Published: September 2023

The aim of this study was to assess how branched‐chain fatty acid triacylglycerols (BCFA‐TAG) at different concentrations (1–10 g/100 g) affect palm oil‐based blend PO‐PS (palm olein/palm stearin = 7/3, wt/wt) crystallization and other related performance. The addition of BCFA‐TAG significantly affected the crystallization of PO‐PS by accelerating the onset of PO‐PS crystallization through promoting the nucleation of PO‐PS crystals while delaying the growth of the crystals as a whole. The reduction in t1/2 provided good evidence of the delay, with the effect of high concentrations (10 g/100 g) being the most pronounced. Adding BCFA‐TAG to PO‐PS reduced its solid fat content (SFC), with a more significant effect at higher concentrations (5, 8, and 10 g/100 g). After 48 h of crystallization at 25°C, BCFA‐TAG induced a more compact and orderly crystalline network of PO‐PS with an increase in space‐filling, resulting in an increase in hardness. The crystal density of the higher concentration samples (PO‐PS + 10% BCFA‐TAG) decreased over storage time, suggesting a crystal dilution effect of high concentrations of BCFA‐TAG. The PO‐PS + 10% BCFA‐TAG sample maintained the β′ crystalline form throughout the 30 days of storage without conversion to the β crystalline form, thus showing a positive effect of BCFA‐TAG in alleviating the post‐hardness of the palm oil.
Combining NIR spectroscopy with DD‐SIMCA for authentication and iSPA‐PLS‐DA for discrimination of ethyl route and oil feedstocks of biodiesels in biodiesel/diesel blends
Authors: da Costa Gean Bezerra , de Fernandes David Douglas Sousa , Véras Germano , Diniz Paulo Henrique Gonçalves Dias , Gondim Amanda Duarte
Published: September 2023

The main biofuels produced on an industrial large scale are biodiesel and ethanol, which are the most economically viable and widely implemented solutions to replace conventional fossil fuels from a greener and more sustainable perspective. In such a scenario, there is an opportunity to produce fully renewable biodiesel using ethanol instead of methanol, which is mainly derived from fossil resources. In this paper, near‐infrared (NIR) spectroscopy was used to discriminate biodiesel/diesel (B7) blends regarding the synthesis route and oil feedstock of biodiesels simultaneously. Data‐Driven Soft Independent Modeling of Class Analogy (DD‐SIMCA) authenticated correctly all ethyl B7 (target) samples into the acceptance area, while rejected all non‐target samples, implying in an efficiency of 100%. Additionally, Partial Least Squares‐Discriminant Analysis coupled with interval selection by the Successive Projections Algorithm (iSPA‐PLS‐DA) discriminated all ethyl B7 samples correctly, considering cottonseed, sunflower, and soybean as oil feedstocks. Moreover, only one ethyl cottonseed B7 sample was incorrectly discriminated when methyl B7 samples from the same three oil feedstocks were included in the model. As advantages, the proposed analytical methodology contributes to the United Nations' Sustainable Development Goal (SDG) #7 (affordable and clean energy) as well as aligns with the principles of Green Analytical Chemistry.
Stochastic comparisons of coherent systems with active redundancy at the component or system levels and component lifetimes following the accelerated life model
Authors: Panja Arindam , Kundu Pradip , Pradhan Biswabrata
Published: September 2023

An effective way to increase system reliability is to use redundancies (spares) into the systems either in component level or in system level. In this prospect, it is a significant issue that which set of available spares providing better system reliability in some stochastic sense. In this paper, we derive sufficient conditions under which a coherent system with a set of active redundancy at the component level or the system level provide better system reliability than that of the system with another set of redundancy, with respect some stochastic orders. We have derived the results for the component lifetimes following accelerated life (AL) model. The results obtained help us to design more reliable systems by allocating appropriate redundant components from the set of available options for the same. Various examples satisfying the sufficient conditions of the theoretical results are provided. Some results are illustrated with real‐world data.
Supercapacitive Swing Adsorption of Carbon Dioxide: Current Status and Perspectives
Authors: Wang Yuanfei , Zhang Keliang , Feng Jijun , Sun Xianzhong , Li Chen , Wang Kai , Zhang Xiong , Ma Yanwei
Published: September 2023

Supercapacitive swing adsorption (SSA) is a newly discovered electrochemically driven carbon dioxide capture method using the principle of electric double‐layer capacitor, which achieves the purpose of adsorption and desorption of CO2 by charging and discharging the supercapacitive electrodes. Based on this method, gas separation devices were designed which could adsorb CO2 from a mixture of carbon dioxide and nitrogen, and a series of factors affecting the CO2 adsorption capacity were explored. This review briefly introduces the SSA mechanism and the structural design of SSA modules, and analyzes the factors influencing the performance of SSA from multiple aspects, with emphasis on electrode materials, in order to find ways to improve the CO2 adsorption capacity of SSA modules.
Narrative incongruence in pandemic local governance: Mayors perform responsibility as communities demand responsiveness
Authors: Montiel Cristina J. , Dela Paz Erwine S. , Uyheng Joshua , Bulilan Ed Joseph
Published: September 2023

Social psychological scholarship highlights the value of leadership for mounting effective responses to the COVID‐19 pandemic. Yet considerably less is known about whether leaders and their respective communities talk about the social crisis in the same way. Through a narrative congruence framework, we interrogate how public storylines of leaders and their communities align or misalign. Utilizing a mixed methods approach, we analyse Facebook posts and comments by Metro Manila mayors and their online followers during the early months of the COVID‐19 pandemic. We uncover a narrative incongruence between (a) leaders who perform responsibility and (b) communities that demand responsiveness. Mayors prioritize equity to give the poor more relief aid, assure efficient cash disbursement, attribute higher infection rates to sufficient testing and blame noncompliant citizens for worsening outbreaks. On the other hand, communities seek equality in relief distribution, decry ambiguous cash disbursement, criticize testing failures and fault weak quarantine protocols for crisis escalation. We conclude with pathways for meaningful engagement between leaders and communities towards effective crisis response especially in the Global South.
Optimal management of coronary artery disease in patients undergoing TAVI: The heart team holds the power
Authors: Atkinson Tamara M. , Tibayan Yen
Published: September 2023

Key Points

The presence and complexity of coronary artery disease (CAD) as well as angiography‐guided percutaneous coronary intervention regardless of completeness were not associated with worse outcomes compared to those without CAD undergoing transcatheter aortic valve implantation (TAVI).

Revascularization of CAD in patients undergoing TAVI is safe, but should not be performed routinely. Revascularization should be guided by the heart team.

Future randomized studies are needed to address whether revascularization in patients with CAD undergoing TAVI impacts clinical outcomes post‐TAVI and if so, does completeness or timing of revascularization play a role.
Single Crystal Layered Oxide Cathodes: The Relationship between Particle Size, Rate Capability, and Stability
Authors: van den Bergh Wessel , Karger Leonhard , Murugan Saravanakumar , Janek Jürgen , Kondrakov Aleksandr , Brezesinski Torsten
Published: September 2023

Invited for this issue's Front Cover is the group of Torsten Brezesinski at KIT. The cover picture presents the metaphor of cathode particles, their morphology and underlying rate capability as racers with different performances. Here we present a way to think about single crystal layered oxide cathodes, which stand apart from more common polycrystalline materials with regards to their relationship with size, diffusivity and morphology. Read the full text of the Concept at 10.1002/celc.202300165.
Numerical analysis of the component column web in tension with additional plates: stiffness evaluation.
Authors: López Manuel , Loureiro Alfonso , Gutiérrez Ruth M. , Reinosa José M.
Published: September 2023

This paper is focused on the behavior of bolted 3D beam‐to‐column joints, when the secondary beams are attached to the weak axis of the column by two additional plates welded between the column flanges. In this joint configuration the component column web in tension is modifying by the presence of the additional plates that must be considered in the stiffness evaluation. Moreover, the stiffness of this component is different in case of double‐sided and single‐sided joints. Therefore, based on the result of a parametric study with finite element models, two different mechanical models for the stiffness of the component column web in tension are proposed for double‐sided and single‐sided joints.
Accuracy assessment of predictive models for semirigid extended end‐plate connections
Authors: Ding Zizhou , Elkady Ahmed
Published: September 2023

Taking advantage of semi‐rigid connections' inherent stiffness and strength can highly benefit the steel industry, since this can lead to efficient designs and consequently to lower construction costs and carbon emissions. This requires the ability to accurately predict the connection's moment‐rotation response. National standards and research studies proposed a number of predictive models to do so, including analytical, mechanical, and empirical models. This applies to the popular bolted extended end‐plate connections. A number of studies have indicated that such models have limitations and may provide inaccurate predictions. In this study, a recently compiled database, comprising more than 750 test specimens, is used to assess the accuracy of several models in predicting key response quantities related to stiffness, strength, and ductility. The mean and standard deviation of the prediction error is quantified while highlighting the advantages and drawbacks of each model. The results aim to shed light on the limitations of existing predictive models and offer recommendations for improved future models.
Full‐Scale Composite Moment‐Resisting Frame with Dissipative Bolted Connections under Monotonic Loads: Experimental versus Numerical Results
Authors: Don Rafaela , Balaskas Georgios , Vulcu Cristian , Hoffmeister Benno
Published: September 2023

The detailing of typical semi‐rigid beam‐to‐column joints in Germany was based on the assumption of low seismic actions, thus design could be covered by wind and gravity actions. Given the recent seismic hazard assessment of the national territory, in which the seismic risk was proved to be higher than formerly considered, questions have been raised about the approach to steel and composite joint design and detailing. Answers to the effect of increased seismic demands on semi‐rigid connections and to joint performance are provided in new studies of the authors. The performance (insufficient bending resistance and stiffness, brittle failures) and detailing deficiencies (small weld sizes, weak web panel) require improvements in order for joints to transfer higher bending moments and to conform to prEN 1998‐1‐2. Pre‐test analyses showed that, in comparison with current typical joints, improved solutions have 40% / 70% higher sagging / hogging bending resistance and sustain plastic deformations within connections prior to failure. Thus, the performance of joints designed for moderate‐low seismicity is experimentally assessed through monotonic and cyclic tests on composite frame specimens. The focus of the paper is on the monotonic response.
Ductile fracture simulation on 10.9 HP bolts under composite loading at elevated temperatures
Authors: Li Jie , Xin Haohui , Veljkovic Milan
Published: September 2023

The mechanical properties of the bolts deteriorate significantly at elevated temperatures; accurate prediction of the performance and fracture behaviour of steel bolted connections is essential for the fire safety assessment of steel structures and is a prerequisite for performance‐based fire safety design. Existing studies on the fracture mechanical properties of bolts at elevated temperatures are limited due to the difficulty and economics of testing. This paper presents the numerical analysis of combined loads on grade 10.9 high‐performance (HP) bolts. Based on the proven fracture analysis method, the fracture behaviour of HP bolts at high temperatures was investigated by fitting material parameters. Significant changes in the fracture shape of the bolts at high temperatures were found. The ultimate resistance, fracture deformation behaviour and strength reduction factors were analyzed. This study demonstrates the potential of using numerical analysis to reasonably predict the fracture behaviour of steel bolted joints at high temperatures and under complex loading conditions.
The influence of axial misalignment on the load‐bearing capacity of buttwelded joints
Authors: Voelkel Justus , Bartsch Helen , Feldmann Markus
Published: September 2023

Steel structures in Europe are generally designed and dimensioned according to EN 1993. The execution, in turn, is carried out according to EN 1090‐2, which for the evaluation of welded joints refers to the quality levels of EN ISO 5817. Here, significant incompatibilities between the design, execution and quality standards have been identified in recent years. The evaluation of weld imperfections according to EN ISO 5817 is based on quality levels with clear limits. However, it is questionable whether the tolerances for weld imperfections defined by the assessment limits represent a realistic limit under static load conditions. To better understand the impact of weld imperfection size on the load bearing capacity axial misalignment and its' influence on load‐bearing capacity is investigated in this article. At first, the characteristics of the axial misalignment are described statistically and an overview of the current state of the art is given. Afterwards the results of quasi static large‐scale tension tests on buttwelded joints with axial misalignment are presented. Finally, the quality levels of EN ISO 5817 are evaluated regarding the influence of imperfection size on the load‐bearing capacity of joints containing axial misalignment.
Experimental and Theoretical Research on Welded Aluminium X‐Joints
Authors: Kalac Semso , Radlbeck Christina , Mensinger Martin , Lucic Dusko
Published: September 2023

Aluminium provides many advantages as a construction material in civil engineering, such as for example light weight, functionality by extruded profiles and corrosion resistance. It is obvious to use these advantages also for trusses. However, most aluminium alloys develop zones of weakening due to welding. The so called heat affected zones (HAZ) reduce the load‐bearing capacity of welded aluminium joints by up to 50%. Consequently, the design and execution of welded X‐joints within lattice girders are challenging. Indeed, the design of welded aluminium X‐joints is not specifically treated in EN 1999. Until now, the calculation of aluminium welded X‐joints relies on the steel standard EN 1993‐1‐8, which does not take into account the characteristic of aluminium. This results in errors and inefficient design. Thus, in this experimental research project the behavior of welded X‐joints in real‐scale models is explored. To this purpose, tests have been carried out on lattice girders made from aluminium alloy EN AW 6082 T6. In total, six girders with varying coefficient β and shape of the hollow section of brace members have been investigated. Thereby, the girders were loaded vertically until the failure of the X‐joints. Strains at the brace and chord members were measured by strain gauges and respective stresses were derived. In addition, a comparative analysis between experimentally and theoretically ‐ based on Eurocodes (EN 1993 part 1‐8 and EN 1999 part 1‐1) ‐ obtained results has been made. The analysis shows that the reduction of the load‐bearing capacity of welded aluminium X‐joints due to the HAZ is not constant but varies with the value of coefficient β and the shape of the cross‐section of the brace member. Obviously, the design of welded aluminium X‐joints based on EN 1993‐1‐8 applying a constant value for the HAZ does not reflect the true behavior of these joints as it leads to a quite conservative design approach.