bluuebunny/crossref_metadata_2025 huggingface dataset:
Drug-Related Problem Classification Systems
Authors: van Mil JW Foppe , Westerlund LO Tommy , Hersberger Kurt E , Schaefer Marion A
Published: April 2004

OBJECTIVE

To provide an overview of and critically appraise classifications of drug-related problems (DRPs) for use during the pharmaceutical care process and research in pharmacy.

DATA SOURCES

A literature search was conducted using MEDLINE and Yahoo (January 2003) and manually. The search terms included DRP, drug-related problem, drug-therapy problem, and medicine-related problem.

STUDY SELECTION AND DATA EXTRACTION

English- and German-language articles on pharmaceutical care and DRPs were reviewed.

DATA SYNTHESIS

Most classifications of DRPs were identified through searching publications on pharmaceutical care and DRPs. Fourteen classifications with different focuses were found. Some classifications were hierarchical, categorized into main groups and subgroups. Various terminologies and definitions for DRPs were revealed, as well as guidelines for an optimal DRP classification. Classifications were assessed according to a clear definition, published validation method, and results reflecting process and outcomes, usability in pharmaceutical care practice, and a hierarchical structure with main groups and subgroups.

CONCLUSIONS

Finding DRP classifications by computerized search of the biomedical literature with the help of PubMed proved to be difficult. No classification could be found that met all of our criteria for an optimal system. Few classifications have been validated. Three have been tested as to their usability in practice and internal consistency. The Pharmaceutical Care Network Europe system Version 4 comes closest to the defined requirements.
Home Blood Pressure Monitoring: Point-of-Care Testing
Authors: Lopez Larry M , Taylor James R
Published: April 2004

OBJECTIVE

To review the literature regarding point-of-care blood pressure monitoring and describe its role in pharmacy practice.

DATA SOURCES

Primary articles were identified by a MEDLINE search (1966—May 2003); references cited in these articles provided additional resources.

STUDY SELECTION AND DATA EXTRACTION

All articles identified from this search were reviewed and all information deemed relevant was included in this article.

DATA SYNTHESIS

Hypertension is a well-established risk factor for coronary heart disease, the leading cause of death in the US. The use of at-home blood pressure monitors may help improve identification and management of this disorder. Pharmacists may use many of these devices in their practice and are also in an ideal position to provide patient education on the selection and use of these monitors, as well as interpretation of results.

CONCLUSIONS

The availability of at-home blood pressure devices has considerably increased in recent years and likely will continue to do so. Based on currently available but limited data, fully automated or semiautomated upper-arm devices are preferred over wrist- or finger-cuff devices. These devices are best suited for screening and monitoring only and should not be used for diagnosis. Although such devices are potentially cost-effective, there is presently insufficient evidence to support the notion that their use can replace routine office monitoring.
Compliance with Dosing Guidelines in Patients with Chronic Kidney Disease
Authors: Long Charron L , Raebel Marsha A , Price David W , Magid David J
Published: April 2004

OBJECTIVE

To assess the level of reported compliance with renal dosing guidelines in inpatient, long-term care, and ambulatory settings.

DATA SOURCES

Available databases (MEDLINE, Cochrane Central Register of Controlled Trials, Cochrane Database of Systematic Reviews, Database of Abstracts of Reviews of Effectiveness, ACP Journal Club) were searched (1966-December 2002) to identify published literature pertaining to renal dosing guideline compliance in patients with chronic kidney disease.

STUDY SELECTION AND DATA EXTRACTION

All articles addressing renal dosing guideline compliance in inpatient, long-term care or ambulatory settings were included. Six articles matching our inclusion criteria were reviewed.

DATA SYNTHESIS

Patients with chronic kidney disease require appropriate medication dosing for disease severity and level of renal function for avoiding adverse drug events, preventing additional renal injury, and optimizing patient outcomes. Consensus-based medication dosing guidelines are readily available and provide initial dose estimations, which can be further individualized based on disease severity and therapeutic response. Studies conducted in hospitals found renal dosing guideline noncompliance rates ranged from 19% to 67%. Limited data in long-term care reported a noncompliance rate of 34%. While published studies concerning compliance to renal dosing recommendations in ambulatory settings are not available, an abstract indicated 69% noncompliance.

CONCLUSIONS

Based on limited published data, improvements in renal dosing guideline compliance are needed in all settings where data are available. Research is needed to further assess the appropriateness of renal dosing in ambulatory settings and inform quality improvement efforts in all settings.
Proenzyme Forms of Prostate-Specific Antigen in Serum Improve the Detection of Prostate Cancer
Authors: Mikolajczyk Stephen D , Catalona William J , Evans Cindy L , Linton Harry J , Millar Lisa S , Marker Kathy M , Katir Diksha , Amirkhan Anna , Rittenhouse Harry G
Published: April 2004

Introduction: Pro or precursor forms of prostate-specific antigen (PSA) have emerged as potentially important diagnostic serum markers for prostate cancer detection. Immunoassays were developed to measure specific proPSA forms containing propeptides of 2, 4, and 7 amino acids [(-2)proPSA, (-4)proPSA, and (-7)proPSA, respectively].

Methods: Research-use dual monoclonal antibody immunoassays using europium-labeled detection monoclonal antibodies were developed for each form of proPSA. Sera from patients with prostate cancer or benign prostate disease containing 4–10 μg/L PSA were assayed and analyzed by area under the ROC curve (AUC) for specificity and sensitivity.

Results: The proPSA forms had quantification limits of 0.015–0.025 μg/L in serum, with cross-reactivities <1% with PSA. The sum of the proPSA forms divided by free PSA (percentage proPSA) had a higher AUC than did percentage of (-2)proPSA, free PSA, and complexed PSA with AUC (95% confidence intervals) of 0.69 (0.64–0.74), 0.64 (0.58–0.68), 0.63 (0.58–0.68), and 0.57 (0.51–0.62), respectively. The proPSA comprised a median of 33% of the free PSA in cancer and 25% in noncancer sera (P <0.0001). One-third (33%) of cancer samples had >40% proPSA, whereas only 8% of noncancer samples did (P <0.0001). In men with cancer and >25% free PSA, the (-2)proPSA had an AUC of 0.77 (0.66–0.86), with 90% sensitivity and 36% specificity at 0.04 μg/L.

Conclusions: The percentage of proPSA gave better cancer detection in the 4–10 μg/L range than did percentage of free PSA and complexed PSA. (-2)proPSA significantly discriminated cancer in men whose serum had >25% free PSA, for whom there is currently no good marker for cancer detection.
Cationic Van-der-Waals Complexes: Theoretical Study of Ar2H+ Structure and Stability
Authors: Ritschel Thomas , Zülicke Lutz , Kuntz Philip J.
Published: April 2004

The electronic and geometric structure, stability and molecular properties of the cationic van-der-Waals complex Ar2H+ in its ground electronic state are studied by means of two ab-initio quantum-chemical approaches: conventional configuration interaction (multi-reference and coupled-cluster methods) and a diatomics-in-molecules model with ab-initio input data. To ensure consistency between the two approaches, one and the same one-electron atomic basis set (aug-cc-pVTZ by Dunning) is employed in both. The topography of the ground-state potential-energy surface is examined with respect to the nature of the binding and the stability of structures corresponding to stationary points. In accordance with most earlier theoretical work, there are two local minima at linear arrangements: a strongly bound centro-symmetric moiety, (Ar–H–Ar)+, and a weakly bound van-der-Waals complex, Ar···ArH+. These are separated by a low barrier. Only the centro-symmetric molecule is significantly stable (D
e = 0.68eV) against fragmentation into Ar + ArH+ and should have structural and dynamical relevance. A fairly simple diatomics-in-molecules model taking into account only the few lowest electronic fragment states yields a qualitatively correct description of the ground state but shows quantitative deviations from the more accurate configuration-interaction data in detail. Nevertheless, it should provide a good starting point for the treatment of larger complexes Ar
n
H+ with n > 2.
Reaction of O(3
P) Atoms with Benzene
Authors: Berndt Torsten , Böge Olaf
Published: April 2004

The gas-phase reaction of O(3
P) atoms with benzene was investigated in a flow system in the pressure range of 50–100mbar and a temperature of 295 ± 2K with a focus on the product formation. O2 concentrations in the carrier gas were in the range of (7.7–84) × 1014 molecule cm−3. The primary stable products detected were phenol, benzene oxide/oxepin and a not identified compound with the probable composition C5H6O. The yields of phenol and benzene oxide/oxepin were 0.12 ± 0.02 and 0.26 ± 0.06, respectively, being not affected by the experimental conditions. For benzene oxide/oxepin, a rapid consecutive reaction with O(3
P) atoms was observed with a rate coefficient of k
(295K) = (1.1 ± 0.1) × 10−10cm3 molecule−1s−1 measured at a pressure of 100mbar. A substance with the formula C6H6O2 (likely oxepin 4,5-epoxide or oxepin 2,3-epoxide), the isomers of muconaldehyde, as well as formic acid, acrolein and trans-butenedial were identified as products of the reaction of O(3
P) atoms with benzene oxide/oxepin.
Season, decay stage, habitat, temperature and carrion beetles allow estimating the post‐mortem interval of wild boar carcasses
Authors: Müller Jörg , Rietz Janine , von Hoermann Christian , Conraths Franz J. , Benbow M. Eric , Mitesser Oliver , Schlüter Jens , Lackner Tomáš , Reckel Frank , Heurich Marco
Published: January 2024

The decay process of animal carcasses is a highly complex succession driven by abiotic and biotic variables and their interactions. As an underexplored ecological recycling process, understanding carrion decomposition associated with pandemics such as African swine fever is important for predicting the rate and post‐mortem interval (PMI) variation of wild animal carcasses to improve disease management.

To model PMIs of wild boar, we deployed 73 wild boar carcasses in four different forest habitat types throughout a year and monitored the decomposition process, carrion beetles and blow fly larval populations. The 601 single observations were split randomly into 501 training data and 100 validation data.

A linear additive mixed model for log‐transformed PMI values using the training data identified the decay stage, day of year, ambient temperature during sampling, habitat and prevalence of Oiceoptoma thoracicum (Silphidae) as predictive variables for time since death, but neither the initial body mass nor if a fresh or previous frozen carcass was used. Using the validation data, this model showed a high predictive power for log‐transformed PMI values (R2 = 0.80).

This study aimed at improving the methodology of estimating the PMI of wild boar carcasses based on important abiotic and biotic environmental factors that can be easily assessed in the field. Using only a small set of predictors, including a conspicuous beetle species, allowed prediction of the mean, minimum and maximum PMI of wild boar carcasses. The strong effects of a few surrogates on PMI in our model suggest that this model can easily be transferred to wider regions of Central Europe by retraining the model with data from a broader environmental space and can thus be instrumental in assessing timing of disease introduction in areas newly affected by emerging diseases such as African swine fever.
First‐ever acute ischemic strokes in HIV‐infected persons: A case–control study from stroke units
Authors: Stammler Romain , Guillaume Jessica , Mazighi Mikael , Denier Christian , Raynouard Igor , Lapergue Bertrand , De Broucker Thomas , Meseguer Elena , Hosseini Hassan , Leger Anne , Smadja Didier , Lamy Catherine , Obadia Michael , Moulignier Antoine
Published: January 2024

Objective

The stroke risk for persons living with human immunodeficiency virus (PLHIVs) doubled compared to uninfected individuals. Stroke‐unit (SU)—access, acute reperfusion therapy—use and outcome data on PLHIVs admitted for acute ischemic stroke (AIS) are scarce.

Methods

AIS patients admitted (01 January 2017 to 31 January 2021) to 10 representative Paris‐area SUs were screened retrospectively from the National Hospitalization Database. PLHIVs were compared to age‐, initial NIHSS‐ and sex‐matched HIV‐uninfected controls (HUCs). Outcome was the 90‐day modified Rankin Scale score.

Results

Among 126 PLHIVs with confirmed first‐ever AIS, ~80% were admitted outside the thrombolysis‐administration window. Despite antiretrovirals, uncontrolled plasma HIV loads exceeded 50 copies/mL (26% of all PLHIVs; 38% of those ≤55 years). PLHIVs' stroke causes by decreasing frequency were large artery atherosclerosis (LAA), undetermined, other cause, cerebral small‐vessel disease (CSVD) or cardioembolism. No stroke etiology was associated with HIV duration or detectable HIVemia. MRI revealed previously unknown AIS in one in three PLHIVs, twice the HUC rate (p = 0.006). Neither group had optimally controlled modifiable cardiovascular risk factors (CVRFs): 20%–30% without specific hypertension, diabetes, and/or dyslipidemia treatments. Their stroke outcomes were comparable. Multivariable analyses retained good prognosis associated solely with initial NIHSS or reperfusion therapy. Older age and hypertension were associated with CSVD/LAA for all PLHIVs. Standard neurovascular care and reperfusion therapy were well‐tolerated.

Interpretation

The high uncontrolled HIV‐infection rate and suboptimal CVRF treatment support heightened vigilance to counter suboptimal HIV suppression and antiretroviral adherence, and improve CVRF prevention, mainly for younger PLHIVs. Those preventive, routine measures could lower PLHIVs' AIS risk.
Organic Chameleon: Fluorescence, Phosphorescence and Radical Afterglow Triple Emission from Naphthylimide Functionalized Triphenylphosphine Derivatives
Authors: Tang Meng , Wen Jingyi , Sun Yitong , Hou Qinggao , Cai Xueqi , He Wenjie , Xie Xuancai , Ding Huangting , Li Fei , Zheng Liyan , Shi Yonggang , Cao Qiue
Published: January 2024

Organic radical luminescent materials have attracted worldwide attention because of their absolute spin‐allowed radiative transition and sensitivity to the environment, which give it multiple stimulus response properties. Nowadays, how to regulate and utilize the sensitivity of radicals has become a hot and difficult issue. Here, arylphosphonium bromide salts are introduced into the molecular backbone of naphthimide (NMI) using an intramolecular counterion strategy, and prepared a novel multifunctional stabilized radical luminescent: TPP‐o‐3OMe‐NMI‐Br. Interestingly, this molecule exhibits different assembly modes in different solvents, resulting in the generation of two crystals with different fluorescence (green: G‐C; orange–yellow: Y‐C), in which the Y‐C crystalline powder exhibits excellent stabilization properties for doublet and triplet excitons, which induce the emission of orange–yellow radical afterglow, and exhibits multi‐stimuli responsiveness to external pressure (P), temperature (T) and water (W). Moreover, interesting time‐dependent photoactivated colorful fluorescence and orange–yellow radical afterglow can be observed in TPP‐o‐3OMe‐NMI‐Br@PMMA films with different doping ratios and exhibit multi‐color tunability, multiple stimulus responses, multiple data encryption, and optical information erase/write behavior. This study not only broadens the types and applications of organic radical long afterglow materials but also provides new ideas for designing new organic “chameleon” luminescent materials in the field of smart luminescence materials.
Efficient and Stable Multicolor Emissions of the Coumarin‐Modified Cs3LnCl6 Lead‐Free Perovskite Nanocrystals and LED Application
Authors: Sun Liheng , Dong Biao , Sun Jiao , Wang Yiming , Wang Yuqi , Hu Songtao , Zhou Bingshuai , Bai Xue , Xu Lin , Zhou Donglei , Song Hongwei
Published: January 2024

Lanthanide‐based lead‐free perovskite materials hold great promise for the development of high‐resolution full‐color displays in the future. Here, various Cs3LnCl6 perovskite nanocrystals (NCs) emitting light across the visible to near‐infrared spectrum with remarkably high photoluminescence quantum yield (PLQY) are systemically prepared. Especially, by introducing multifunctional coumarin small molecules into Cs3EuCl6 NCs as an intermediate state, Cs3EuCl6 NCs can achieve an impressive PLQY of 92.4% with pure red emission and an exceptional energy transfer efficiency of nearly 93.2%. Furthermore, the lanthanide‐based electroluminescent devices in red, green, and blue are successfully fabricated. Among them, the Cs3EuCl6‐NC‐based red light‐emitting diode (LED) demonstrates a FWHM of 18 nm at 617 nm, an external quantum efficiency up to 5.17%, and a maximum brightness of 2373 cd m−2, which is the most excellent reported for lead‐free narrowband (within 20 nm) emission devices. Notably, these devices exhibit an operating half‐life of 440 h at a brightness level of 100 cd m−2, surpassing the performance of most reported lead‐free perovskite LEDs (PLEDs). This work opens up exciting possibilities for the future commercialization of lanthanide‐based PLEDs in the display industry, paving the way for more vibrant, energy‐efficient, and long‐lasting display technologies.
Eliminating Non‐Corner‐Sharing Octahedral for Efficient and Stable Perovskite Solar Cells
Authors: Jiang Yang , Du Hong‐Qiang , Zhi Rui , Rothmann Mathias Uller , Wang Yulong , Wang Chao , Liang Guijie , Hu Zhi‐Yi , Cheng Yi‐Bing , Li Wei
Published: January 2024

The metal halide (BX6)4‐ octahedron, where B represents a metal cation and X represents a halide anion, is regarded as the fundamental structural and functional unit of metal halide perovskites. However, the influence of the way the (BX6)4− octahedra connect to each other has on the structural stability and optoelectronic properties of metal halide perovskite is still unclear. Here, the octahedral connectivity, including corner‐, edge‐, and face‐sharing, of various CsxFA1‐xPbI3 (0 ≤ x ≤ 0.3) perovskite films is tuned and reliably characterized through compositional and additive engineering, and with ultralow‐dose transmission electron microscopy. It is found that the overall solar cell device performance, the charge carrier lifetime, the open‐circuit voltage, and the current density–voltage hysteresis are all improved when the films consist of corner‐sharing octahedra, and non‐corner sharing phases are suppressed, even in films with the same chemical composition. Additionally, it is found that the structural, optoelectronic, and device performance stabilities are similarly enhanced when non‐corner‐sharing connectivities are suppressed. This approach, combining macroscopic device tests and microscopic material characterization, provides a powerful tool enabling a thorough understanding of the impact of octahedral connectivity on device performance, and opens a new parameter space for designing high‐performance photovoltaic metal halide perovskite devices.
Highly Stable Organic Molecular Porous Solid Electrolyte with One‐Dimensional Ion Migration Channel for Solid‐State Lithium−Oxygen Battery
Authors: Li Jia‐Xin , Guan De‐Hui , Wang Xiao‐Xue , Miao Cheng‐Lin , Li Jian‐You , Xu Ji‐Jing
Published: January 2024

Solid‐state lithium−oxygen (Li−O2) batteries have been widely recognized as one of the candidates for the next‐generation of energy storage batteries. However, the development of solid‐state Li−O2 batteries has been hindered by the lack of solid‐state electrolyte (SSE) with high ionic conductivity at room temperature, high Li+ transference number, and the high stability to air. Herein, the organic molecular porous solid cucurbit[7]uril (CB[7]) with one‐dimensional (1D) ion migration channels is developed as the SSE for solid‐state Li−O2 batteries. Taking advantage of the 1D ion migration channel for Li+ conduction, CB[7] SSE achieves high ionic conductivity (2.45 × 10−4 S cm−1 at 25 °C). Moreover, the noncovalent interactions facilitated the immobilization of anions, realizing a high Li+ transference number (tLi+ = 0.81) and Li+ uniform distribution. The CB[7] SSE also shows a wide electrochemical stability window of 0–4.65 V and high thermal stability and chemical stability, as well as realizes stable Li+ plating/stripping (more than 1000 h at 0.3 mA cm−2). As a result, the CB[7] SSE endows solid‐state Li−O2 batteries with superior rate capability and long‐term discharge/charge stability (up to 500 h). This design strategy of CB[7] SSE paves the way for stable and efficient solid‐state Li−O2 batteries toward practical applications.
Melanoma Derived Exosomes Amplify Radiotherapy Induced Abscopal Effect via IRF7/I‐IFN Axis in Macrophages
Authors: Wang Lu , Shen Kangjie , Gao Zixu , Ren Ming , Wei Chenlu , Yang Yang , Li Yinlam , Zhu Yu , Zhang Simin , Ding Yiteng , Zhang Tianyi , Li Jianrui , Zhu Ming , Zheng Shaoluan , Yang Yanwen , Du Shisuo , Wei Chuanyuan , Gu Jianying
Published: January 2024

Radiotherapy (RT) can induce tumor regression outside the irradiation field, known as the abscopal effect. However, the detailed underlying mechanisms remain largely unknown. A tumor‐bearing mouse model is successfully constructed by inducing both subcutaneous tumors and lung metastases. Single‐cell RNA sequencing, immunofluorescence, and flow cytometry are performed to explore the regulation of tumor microenvironment (TME) by RT. A series of in vitro assays, including luciferase reporter, RNA Pulldown, and fluorescent in situ hybridization (FISH) assays, are performed to evaluate the detailed mechanism of the abscopal effect. In addition, in vivo assays are performed to investigate combination therapy strategies for enhancing the abscopal effect. The results showed that RT significantly inhibited localized tumor and lung metastasis progression and improved the TME. Mechanistically, RT promoted the release of tumor‐derived exosomes carrying circPIK3R3, which is taken up by macrophages. circPIK3R3 promoted Type I interferon (I‐IFN) secretion and M1 polarization via the miR‐872‐3p/IRF7 axis. Secreted I‐IFN activated the JAK/STAT signaling pathway in CD8+ T cells, and promoted IFN‐γ and GZMB secretion. Together, the study shows that tumor‐derived exosomes promote I‐IFN secretion via the circPIK3R3/miR‐872‐3p/IRF7 axis in macrophages and enhance the anti‐tumor immune response of CD8+ T cells.
Giant Optical Anisotropy in a Covalent Molybdenum Tellurite via Oxyanion Polymerization
Authors: Wu Tianhui , Jiang Xingxing , Duanmu Kaining , Wu Chao , Lin Zheshuai , Huang Zhipeng , Humphrey Mark G. , Zhang Chi
Published: January 2024

Large birefringence is a crucial but hard‐to‐achieve optical parameter that is a necessity for birefringent crystals in practical applications involving modulation of the polarization of light in modern opto‐electronic areas. Herein, an oxyanion polymerization strategy that involves the combination of two different types of second‐order Jahn–Teller distorted units is employed to realize giant anisotropy in a covalent molybdenum tellurite. Mo(H2O)Te2O7 (MTO) exhibits a record birefringence value for an inorganic UV‐transparent oxide crystalline material of 0.528 @ 546 nm, which is also significantly larger than those of all commercial birefringent crystals. MTO has a UV absorption edge of 366 nm and displays a strong powder second‐harmonic generation response of 5.4 times that of KH2PO4. The dominant roles of the condensed polytellurite oxyanions [Te8O20]8− in combination with the [MoO6]6− polyhedra in achieving the giant birefringence in MTO are clarified by structural analysis and first‐principles calculations. The results suggest that polymerization of polarizability‐anisotropic oxyanions may unlock the promise of birefringent crystals with exceptional birefringence.
Multivalent Rhamnose‐Modified EGFR‐Targeting Nanobody Gains Enhanced Innate Fc Effector Immunity and Overcomes Cetuximab Resistance via Recruitment of Endogenous Antibodies
Authors: Li Yanchun , Lin Han , Hong Haofei , Li Dan , Gong Liang , Zhao Jie , Wang Zheng , Wu Zhimeng
Published: January 2024

Cetuximab resistance is a significant challenge in cancer treatment, requiring the development of novel therapeutic strategies. In this study, a series of multivalent rhamnose (Rha)‐modified nanobody conjugates are synthesized and their antitumor activities and their potential to overcome cetuximab resistance are investigated. Structure‐activity relationship studies reveal that the multivalent conjugate D5, bearing sixteen Rha haptens, elicits the most potent innate fragment crystallizable (Fc) effector immunity in vitro and exhibits an excellent in vivo pharmacokinetics by recruiting endogenous antibodies. Notably, it is found that the optimal conjugate D5 represents a novel entity capable of reversing cetuximab‐resistance induced by serine protease (PRSS). Moreover, in a xenograft mouse model, conjugate D5 exhibits significantly improved antitumor efficacy compared to unmodified nanobodies and cetuximab. The findings suggest that Rha‐Nanobody (Nb) conjugates hold promise as a novel therapeutic strategy for the treatment of cetuximab‐resistant tumors by enhancing the innate Fc effector immunity and enhancing the recruitment of endogenous antibodies to promote cancer cell clearance by innate immune cells.
Asymmetric price transmission in perishable crops value chain: A NARDL approach
Authors: Sharma Purushottam , Meena Dinesh Chand , Anwer Md. Ejaz
Published: January 2024

Policymakers and economists envisage effective price transmission across markets or stakeholders in supply chains as a vital contributor to market efficiency. The paper explores the vertical price transmission in the perishables supply chain in India using weekly data on farm, wholesale and retail prices collected from main production and consumption markets. We estimate the asymmetries in price transmission using the nonlinear autoregressive distributed lags model and found the asymmetry in both magnitude and speed in the case of wholesale–retail chain of Onion and Potato, asymmetry in magnitude in wholesale–retail chain of Tomato, and asymmetry in speed in farm–wholesale chain of Potato. The results of asymmetric coefficient, long‐run elasticity of price transmission, speed of adjustment and implied half‐life of disequilibrium indicated that farm–wholesale chain is more efficient than wholesale–retail chain. Further, market chains of Onion and Tomato are more efficient than Potato chains. The magnitude of the adjustment was found to be larger for the long‐run positive shock in wholesale–retail market chain of Onion, Potato and Tomato, and it concluded that retailers enjoy an advantage over wholesalers as well as farmers. We draw interesting policy considerations for the perishables sector [EconLit Citations: Q11, Q13, C32].
Treatment strategy for severe trauma patients requiring aortic occlusion for impending cardiopulmonary arrest in the hybrid emergency room
Authors: Maruyama Shuhei , Wada Daiki , Yoshihara Tomoyuki , Saito Fukuki , Yoshiya Kazuhisa , Nakamori Yasushi , Kuwagata Yasuyuki
Published: January 2024

Aim

Computed tomography (CT) is useful in trauma care. Severely ill trauma patients may not tolerate whole‐body CT even without patient transfer. This study examined clinical flow of severe trauma patients requiring aortic occlusion (AO) such as resuscitative thoracotomy or REBOA in the hybrid emergency room (ER) and investigated patient clinical courses prioritizing CT first versus resuscitation including AO first.

Methods

This retrospective, single‐center observational study included consecutive trauma patients visiting our ER between May 2016 and February 2023. Patients were divided into the CT first group (whole‐body CT preceded AO) and AO first group (AO preceded whole‐body CT) and into two subgroups: AO after CT (AO/interventions for hemorrhage performed just after CT in the CT first group), and CT after AO (CT or damage control surgery performed after AO in the AO first group). We investigated 28‐day survival rates.

Results

Survival probability by TRISS method was 49% (range: 3.3–94) in the CT first group (n = 6) and 20% (range: 0.7–45) in the AO first group (n = 7). Actual 28‐day survival rates were 50% and 57%, respectively. Survival rates of the AO after CT subgroup (CT first group) were 75% (3/4) and 0% (0/2), respectively, and those of the CT after AO subgroup (AO first group) were 25% (1/4) and 100% (3/3), respectively.

Conclusion

In severe trauma patients with low predicted probability of survival treated in the hybrid ER, survival rates might be better if resuscitation including AO is performed before CT and if damage control surgery is performed first before CT.
Diphenylphosphinylhydroxylamine (DPPH) Affords Late‐Stage S‐imination to access free‐NH Sulfilimines and Sulfoximines
Authors: Gunasekera Shanal , Pryyma Alla , Jung Jimin , Greenwood Rebekah , Patrick Brian O. , Perrin David M.
Published: January 2024

Sulfilimines, as potential aza‐isosteres of sulfoxides, are valued as building blocks, auxiliaries, ligands, bioconjugation handles, and as precursors to versatile S(VI) scaffolds including sulfoximines and sulfondiimines. Here, we report a thioether imination methodology that exploits O‐(diphenylphosphinyl)hydroxyl amine (DPPH). Under mild, metal‐free, and biomolecule‐compatible conditions, DPPH enables late‐stage S‐imination on peptides, natural products, and a clinically trialled drug, and shows both excellent chemoselectivity and broad functional group tolerance. This methodological report is extended to an efficient and high‐yielding one‐pot reaction for accessing free‐NH sulfoximines with diverse substrates including ones of potential clinical importance. In the presence of a rhodium catalyst, sulfoxides are S‐iminated in higher yields to afford free‐NH sulfoximines. S‐imination was validated on an oxidatively delicate amatoxin to give sulfilimine and sulfoximine congeners. Interestingly, these new sulfilimine and sulfoximine‐amatoxins show cytotoxicity. This method is further extended to create sulfilimine and sulfoximine‐Fulvestrant and buthionine analogues.
Pulse Electrolysis Turns on CO2 Methanation through N‐Confused Cupric Porphyrin
Authors: Hua Wei , Liu Tingting , Zheng Zhangyi , Yuan Huihong , Xiao Long , Feng Kun , Hui Jingshu , Deng Zhao , Ma Mutian , Cheng Jian , Song Daqi , Lyu Fenglei , Zhong Jun , Peng Yang
Published: January 2024

Breaking the D4h symmetry in the square‐planar M−N4 configuration of macrocycle molecular catalysts has witnessed enhanced electrocatalytic activity, but at the expense of electrochemical stability. Herein, we hypothesize that the lability of the active Cu−N3 motifs in the N‐confused copper (II) tetraphenylporphyrin (CuNCP) could be overcome by applying pulsed potential electrolysis (PPE) during electrocatalytic carbon dioxide reduction. We find that applying PPE can indeed enhance the CH4 selectivity on CuNCP by 3 folds to reach the partial current density of 170 mA cm−2 at >60 % Faradaic efficiency (FE) in flow cell. However, combined ex situ X‐ray diffraction (XRD), transmission electron microscope (TEM), and in situ X‐ray absorption spectroscopy (XAS), infrared (IR), Raman, scanning electrochemical microscopy (SECM) characterizations reveal that, in a prolonged time scale, the decomplexation of CuNCP is unavoidable, and the promoted water dissociation under high anodic bias with lowered pH and enriched protons facilitates successive hydrogenation of *CO on the irreversibly reduced Cu nanoparticles, leading to the improved CH4 selectivity. As a key note, this study signifies the adaption of electrolytic protocol to the catalyst structure for tailoring local chemical environment towards efficient CO2 reduction.
Multivariate Machine Learning Models of Nanoscale Porosity from Ultrafast NMR Relaxometry
Authors: Fricke Sophia N. , Salgado Mia , Menezes Tamires , Costa Santos Kátilla M. , Gallagher Neal B. , Song Ah‐Young , Wang Jieyu , Engler Kaitlyn , Wang Yang , Mao Haiyan , Reimer Jeffrey A.
Published: January 2024

Nanoporous materials are of great interest in many applications, such as catalysis, separation, and energy storage. The performance of these materials is closely related to their pore sizes, which are inefficient to determine through the conventional measurement of gas adsorption isotherms. Nuclear magnetic resonance (NMR) relaxometry has emerged as a technique highly sensitive to porosity in such materials. Nonetheless, streamlined methods to estimate pore size from NMR relaxometry remain elusive. Previous attempts have been hindered by inverting a time domain signal to relaxation rate distribution, and dealing with resulting parameters that vary in number, location, and magnitude. Here we invoke well‐established machine learning techniques to directly correlate time domain signals to BET surface areas for a set of metal‐organic frameworks (MOFs) imbibed with solvent at varied concentrations. We employ this series of MOFs to establish a correlation between NMR signal and surface area via partial least squares (PLS), following screening with principal component analysis, and apply the PLS model to predict surface area of various nanoporous materials. This approach offers a high‐throughput, non‐destructive way to assess porosity in c.a. one minute. We anticipate this work will contribute to the development of new materials with optimized pore sizes for various applications.
The Reverse of Electrostatic Interaction Force for Ultrahigh‐Energy Al‐Ion batteries
Authors: Guan Wei , Wang Wei , Huang Zheng , Tu Jiguo , Lei Haiping , Wang Mingyong , Jiao Shuqiang
Published: January 2024

The two‐dimensional (2D) MXenes with sufficient interlayer spacing are promising cathode materials for aluminum‐ion batteries (AIBs), yet the electrostatic repulsion effect between the surface negative charges and the active anions (AlCl4−) hinders the intercalation of AlCl4− and is usually ignored. Here, we propose a charge regulation strategy for MXene cathodes to overcome this challenge. By doping N and Co, the zeta potential is gradually transformed from negative (Ti3C2Tx) to near‐neutral (Ti3CNTx), and finally positive (Ti3CNTx@Co). Therefore, the electrostatic repulsion force can be greatly weakened between Ti3CNTx and AlCl4−, or even formed a strong electrostatic attraction between Ti3CNTx@Co and AlCl4−, which can not only accommodate more AlCl4− ions in the Ti3CNTx@Co interlayers to increase the capacity, but also solve the stacking and expansion problems. As a result, the optimized Al‐MXene battery exhibits an ultrahigh capacity of up to 240 mAh g−1 (2–4 times the capacity of graphite cathode, 60–120 mAh g−1) and a potential ultrahigh energy density (432 Wh kg−1, 2–4 times the value of graphite, 110–220 Wh kg−1) based on the mass of cathode materials, comparable to LiFePO4‐based lithium‐ion batteries (350–450 Wh kg−1, based on the mass of LiFePO4).
High‐nuclearity Luminescent Lanthanide Nanocages for Tumor Drug Delivery
Authors: Wang Shi‐Qing , Wang Yili , Yang Xiaoping , Liu Yong , Li Huaqiong , Yang Zhi , Sun Wei‐Yin , Sessler Jonathan L.
Published: January 2024

There is an unmet need for easy‐to‐visualize drug carriers that can deliver therapeutic cargoes deep into solid tumors. Herein, we report the preparation of ultrasmall luminescent imine‐based lanthanide nanocages, Eu60 and Tb60 (collectively Ln60), designed to encapsulate anticancer chemotherapeutics for tumor therapy. The as‐prepared nanocages possess large cavities suitable for the encapsulation of doxorubicin (DOX), yielding DOX@Ln60 nanocages with diameters around 5 nm. DOX@Ln60 are efficiently internalized by breast cancer cells, allowing the cells to be visualized via the intrinsic luminescent property of Ln(III). Once internalized, the acidic intracellular microenvironment promotes imine bond cleavage and the release of the loaded DOX. DOX@Ln60 inhibits DNA replication and triggers tumor cell apoptosis. In a murine triple negative breast cancer (TNBC) model, DOX@Ln60 was found to inhibit tumor growth with negligible side effects on normal tissues. It proved more effective than various controls, including DOX and Ln60. The present nanocages thus point the way to the development of precise nanomedicines for tumor imaging and therapy.
Reconstructing Hydrogen‐Bond Network for Efficient Acidic Oxygen Evolution
Authors: Zhu Shicheng , Yang Ruoou , Li Huang Jing Wei , Huang Sirui , Wang Haozhi , Liu Youwen , Li Huiqiao , Zhai Tianyou
Published: January 2024

Developing highly active oxygen evolution reaction (OER) catalysts in acidic conditions is a pressing demand for proton‐exchange membrane water electrolysis. Manipulating proton character at the electrified interface, as the crux of all proton‐coupled electrochemical reactions, is highly desirable but elusive. Herein we present a promising protocol, which reconstructs a connected hydrogen‐bond network between the catalyst‐electrolyte interface by coupling hydrophilic units to boost acidic OER activity. Modelling on N‐doped‐carbon‐layer clothed Mn‐doped‐Co3O4 (Mn−Co3O4@CN), we unravel that the hydrogen‐bond interaction between CN units and H2O molecule not only drags the free water to enrich the surface of Mn−Co3O4 but also serves as a channel to promote the dehydrogenation process. Meanwhile, the modulated local charge of the Co sites from CN units/Mn dopant lowers the OER barrier. Therefore, Mn−Co3O4@CN surpasses RuO2 at high current density (100 mA cm−2 @ ~538 mV).
Electrooxidative Rhodium(III)/Chiral Carboxylic Acid‐Catalyzed Enantioselective C−H Annulation of Sulfoximines with Alkynes
Authors: Zhou Gang , Zhou Tao , Jiang Ao‐Lian , Qian Pu‐Fan , Li Jun‐Yi , Jiang Bo‐Yang , Chen Zi‐Jia , Shi Bing‐Feng
Published: January 2024

The combination of achiral Cp*Rh(III) with chiral carboxylic acids (CCAs) represents an efficient catalytic system in transition metal‐catalyzed enantioselective C−H activation. However, this hybrid catalysis is limited to redox‐neutral C−H activation reactions and the adopt to oxidative enantioselective C−H activation remains elusive and pose a significant challenge. Herein, we describe the development of an electrochemical Cp*Rh(III)‐catalyzed enantioselective C−H annulation of sulfoximines with alkynes enabled by chiral carboxylic acid (CCA) in an operationally friendly undivided cell at room temperature. A broad range of enantioenriched 1,2‐benzothiazines are obtained in high yields with excellent enantioselectivities (up to 99 % yield and 98 : 2 er). The practicality of this method is demonstrated by scale‐up reaction in a batch reactor with external circulation. A crucial chiral Cp*Rh(III) intermediate is isolated, characterized, and transformed, providing rational support for a Rh(III)/Rh(I) electrocatalytic cycle.
Mining the Metabolic Capacity of Clostridium sporogenes Aided by Machine Learning
Authors: Ouyang Huanrong , Xu Zhao , Hong Joshua , Malroy Jeshua , Qian Liangyu , Ji Shuiwang , Zhu Xuejun
Published: January 2024

Anaerobes dominate the microbiota of the gastrointestinal (GI) tract, where a significant portion of small molecules can be degraded or modified. However, the enormous metabolic capacity of gut anaerobes remains largely elusive in contrast to aerobic bacteria, mainly due to the requirement of sophisticated laboratory settings. In this study, we employed an in silico machine learning platform, MoleculeX, to predict the metabolic capacity of a gut anaerobe, Clostridium sporogenes, against small molecules. Experiments revealed that among the top seven candidates predicted as unstable, six indeed exhibited instability in C. sporogenes culture. We further identified several metabolites resulting from the supplementation of everolimus in the bacterial culture for the first time. By utilizing bioinformatics and in vitro biochemical assays, we successfully identified an enzyme encoded in the genome of C. sporogenes responsible for everolimus transformation. Our framework thus can potentially facilitate future understanding of small molecules metabolism in the gut, further improve patient care through personalized medicine, and guide the development of new small molecule drugs and therapeutic approaches.
Eu(OTf)3‐Catalyzed Formal Dipolar [4π+2σ] Cycloaddition of Bicyclo‐[1.1.0]butanes with Nitrones: Access to Polysubstituted 2‐Oxa‐3‐azabicyclo[3.1.1]heptanes
Authors: Zhang Jian , Su Jia‐Yi , Zheng Hanliang , Li Hao , Deng Wei‐Ping
Published: January 2024

Herein, we have synthesized multifunctionalized 2‐oxa‐3‐azabicyclo[3.1.1]heptanes, which are considered potential bioisosteres for meta‐substituted arenes, through Eu(OTf)3‐catalyzed formal dipolar [4π+2σ] cycloaddition of bicyclo[1.1.0]butanes with nitrones. This methodology represents the initial instance of fabricating bicyclo[3.1.1]heptanes adorned with multiple heteroatoms. The protocol exhibits both mild reaction conditions and a good tolerance for various functional groups. Computational density functional theory calculations support that the reaction mechanism likely involves a nucleophilic addition of nitrones to bicyclo[1.1.0]butanes, succeeded by an intramolecular cyclization. The synthetic utility of this novel protocol has been demonstrated in the concise synthesis of the analogue of Rupatadine.
Symmetry‐Broken Ru Nanoparticles with Parasitic Ru‐Co Dual‐Single Atoms Overcome the Volmer Step of Alkaline Hydrogen Oxidation
Authors: Mu Xueqin Q. , Liu Suli L. , Zhang Mengyang Y. , Zhuang Zechao C. , Chen Ding , Liao Yuru R. , Zhao Hongyu Y. , Mu Shichun C. , Wang Dingsheng S. , Dai Zhihui H.
Published: January 2024

Efficient dual‐single‐atom catalysts are crucial for enhancing atomic efficiency and promoting the commercialization of fuel cells, but addressing the sluggish kinetics of hydrogen oxidation reaction (HOR) in alkaline media and the facile dual‐single‐atom site generation remains formidable challenges. Here, we break the local symmetry of ultra‐small ruthenium (Ru) nanoparticles by embedding cobalt (Co) single atoms, which results in the release of Ru single atoms from Ru nanoparticles on reduced graphene oxide (Co1Ru1,n/rGO). In situ operando spectroscopy and theoretical calculations reveal that the oxygen‐affine Co atom disrupts the symmetry of ultra‐small Ru nanoparticles, resulting in parasitic Ru and Co dual‐single‐atom within Ru nanoparticles. The interaction between Ru single atoms and nanoparticles forms effective active centers. The parasitism of Co atoms modulates the adsorption of OH intermediates on Ru active sites, accelerating HOR kinetics through faster formation of *H2O. As anticipated, Co1Ru1,n/rGO exhibits ultrahigh mass activity (7.68 A mgRu−1) at 50 mV and exchange current density (0.68 mA cm−2), which are 6 and 7 times higher than those of Ru/rGO, respectively. Notably, it also displays exceptional durability surpassing that of commercial Pt catalysts. This investigation provides valuable insights into hybrid multi‐single‐atom and metal nanoparticle catalysis.
Substantial Impact of Built‐in Electric Field and Electrode Potential on the Alkaline Hydrogen Evolution Reaction of Ru−CoP Urchin Arrays
Authors: Liu Shangguo , Li Zijian , Chang Yaxiang , Gyu Kim Min , Jang Haeseong , Cho Jaephil , Hou Liqiang , Liu Xien
Published: January 2024

Although great efforts on the delicate construction of a built‐in electric field (BIEF) to modify the electronic properties of active sites have been conducted, the substantial impact of BIEF coupled with electrode potential on the electrochemical reactions has not been clearly investigated. Herein, we designed an alkaline hydrogen evolution reaction (HER) catalyst composed of heterogeneous Ru−CoP urchin arrays on carbon cloth (Ru−CoP/CC) with a strong BIEF with the guidance of density functional theory (DFT) calculations. Impressively, despite its unsatisfactory activity at 10 mA cm−2 (overpotential of 44 mV), Ru−CoP/CC exhibited better activity (357 mV) than the benchmark Pt/C catalyst (505 mV) at 1 A cm−2. Experimental and theoretical studies revealed that strong hydrogen adsorption on the interfacial Ru atoms created a high energy barrier for hydrogen desorption and spillover, resulting in unsatisfactory activity at low current densities. However, as the electrode potential became more negative (i.e., the current density increased), the barrier for hydrogen spillover from the interfacial Ru to the Co site, which had near‐zero hydrogen adsorption energy, significantly decreased, thus greatly accelerating the whole alkaline HER process. This explains why the activity of Ru−CoP is relatively susceptible to the electrode potential compared to Pt/C.
Salicylidene‐based homoleptic metal(II) complexes: Theoretical, in silico molecular modeling and in vitro cytotoxicity studies
Authors: Jayathuna Mugamathu Ali , Sathiyaseelan Anbazhagan , Wang Myeong‐Hyeon , Saxena Kartikey , Rahiman Aziz Kalilur
Published: January 2024

A series of 12 salicylidene‐based homoleptic nickel(II), copper(II) and zinc(II) complexes with the general formula [M(L1–4)2] (1–12) containing the tridentate ligands 2‐(((2‐(([1,1′‐biphenyl]‐3‐ylmethylene)amino)phenyl)imino)methyl)phenol (HL1), 2‐(((2‐(([1,1′‐biphenyl]‐3‐ylmethylene)amino)phenyl)imino)methyl)‐4‐methoxyphenol (HL2), 2‐(((2‐(([1,1′‐biphenyl]‐3‐ylmethylene)amino)phenyl)imino)methyl)‐4‐ethoxyphenol (HL3) and 2‐(((2‐(([1,1′‐biphenyl]‐3‐ylmethylene)amino)phenyl)imino)methyl)‐4‐nitrophenol (HL4) have been synthesized and characterized by spectroscopic analysis. The tridentate nature of the ligands form an octahedral geometry around the central metal ion through the phenolic oxygen via deprotonation and two azomethine nitrogen atoms. Further, the charge transfer transitions taking place in the complexes have been explained using HOMO‐LUMO analysis. The in vitro cytotoxicity activity screened by WST assay against human metastatic (MDA‐MB‐231), hepatoma (HepG2) and colorectal adenocarcinoma (CaCo2) cancerous, and normal mouse fibroblast (NIH3T3) cell lines showed higher activity for the complexes 2, 6 and 10 with respect to the standard drug 5‐fluorouracil. The AO/EB, PI, Rh123 and DCFH‐DA staining results indicated that the complexes induced anticancer activity through apoptosis. Furthermore, the complexes interact with FGFR and P13Kγ kinase receptors through the hydrophobic, hydrogen bonding, π–π, σ–π, van der Waals and electrostatic interaction.
Investigating the Role of a P(VDF−TrFE) Ferroelectric Separator in Li‐Metal Pouch Cells using Electrochemical Impedance Spectroscopy
Authors: Pires Da Veiga Leonardo , Sharad Bhoir Shubam , Brüllmann Dominic , Malburet Samuel , Müller Simon , Stalder Micheal , Brivio Claudio , Ingenito Andrea
Published: January 2024

This study explores the efficacy of employing P(VDF−TrFE), a ferroelectric copolymer, to mitigate the formation of dead lithium in Li‐metal anodes when paired with carbonate electrolytes. Employing non‐solvent induced phase separation (NIPS), self‐standing membranes and coatings on polypropylene (PP) separators were prepared, both demonstrating a homogenous cellular pore structure and excellent ionic conductivity. Rigorous evaluation in pouch cell formats, featuring a thin Li‐metal anode (50 μm), a high‐loading NMC532 cathode (3 mAhcm−2), and a carbonate electrolyte, reveals the superior performance of cells with P(VDF−TrFE)‐coated PP separators. Notably, these cells exhibit slower and more consistent capacity fading, as well as the weakest increase in impedance, as evidenced by Electrochemical Impedance Spectroscopy (EIS) investigations. This work underscores the promising role of P(VDF−TrFE) as a key material for addressing challenges associated with dead lithium, offering valuable insights for advancing Li‐metal battery technologies in practical applications.