bluuebunny/crossref_metadata_2025 huggingface dataset:
Organic Electrode Materials and Engineering for Electrochemical Energy Storage
Authors: Vlad Alexandru , Chen Jun , Yao Yan
Published: April 2023

Organic batteries are considered as an appealing alternative to mitigate the environmental footprint of the electrochemical energy storage technology, which relies on materials and processes requiring lower energy consumption, generation of less harmful waste and disposed material, as well as lower CO2 emissions. In the past decade, much effort has been made from fundamental understanding to practical applications in this direction. This Special Collection aims to highlight the current dynamic research environment devoted to the field of organic chemistry and materials as applied to electrochemical energy storage systems and devices. In particular, it reveals how diverse the organic materials are in the context of Li‐ion, but also next‐generation, post‐Li battery technologies.
A meta‐analysis of the effects of augmented reality technologies in interactive learning environments (2012–2022)
Authors: Lin Yupeng , Yu Zhonggen
Published: April 2023

This study conducts meta‐analytical estimations based on 70 empirical studies regarding inconsistent effect sizes of augmented reality in interactive learning environments. It finds that compared with traditional tools, augmented reality in interactive learning environments significantly enhances overall learning effectiveness (g = 0.717, 95% confidence interval [CI] = 0.606–0.827) at the 0.05 level. The moderating analysis finds that augmented reality in interactive learning environments significantly enhances (1) students' acceptance of technological systems and attitudes toward their courses, (2) comfort, engagement, and self‐efficacy, (3) learning motivations (measured by attention, perceived relevance to learning objectives, confidence, satisfaction, and interest), (4) critical thinking and practical skills, and (5) knowledge acquisition outcomes (including memorization, retention, and application). Interactive augmented reality has insignificant influences on students' flow experience, collaboration, and communication at the 0.05 level, while significantly reducing cognitive load at the 0.05 level. The findings in this study may enlighten further studies on educational technologies and extend applications of augmented reality in education.
Manganese Oxide Nanoparticles: An Insight into Structure, Synthesis and Applications
Authors: Yadav Pinky , Bhaduri Ayana , Thakur Atul
Published: April 2023

Manganese oxide nanoparticles with different crystal phases, morphologies, and structural diversity along with their exceptional properties like high specific surface area, a high fraction of surface atoms, non‐toxic nature, and excellent redox properties are drawing attention for various applications in storage science, especially in the batteries, super‐capacitors, energy conversion, and the environmental catalysis field. Precise control of particle size, morphology, surface area, Mnx+ oxidation state, etc. is the utmost important aspect to explore their application to the full potential. Here, the emphasis is on the recent trends in manganese oxide research – structure, synthesis, and applications. The structure of numerous crystalline phases of manganese oxide nanoparticles are summerized and several facile chemical synthesis processes to achieve the desired crystalline/amorphous structure are discoursed. Temperature and different synthesis conditions dependent phase transformations of β‐MnO2, α‐Mn2O3, and Mn3O4 from α‐MnO2 are discussed as well. The pragmatic approach directs that the application field is mostly controlled by the morphologies.
Protein‐Metabolite Interactions: Discovery and Significance
Authors: Dixit Aditi , Kalia Jeet
Published: April 2023

Metabolites orchestrate cellular processes as either substrates, co‐enzymes, inhibitors, or activators of cellular proteins such as enzymes and receptors. Although traditional biochemical and structural biology‐based approaches have been successfully employed for the discovery of protein‐metabolite interactions, they often fail to detect transient and low‐affinity biomolecular relationships. Another limitation of these approaches is that they are performed under in vitro conditions lacking the physiological context. Recently developed mass spectrometry‐based methodologies overcome both these shortcomings, and have resulted in the discovery of global protein‐metabolite cellular interaction networks. Herein, we describe traditional and modern approaches for the discovery of protein‐metabolite interactions, and discuss the impact of these discoveries on our understanding of cellular physiology and on drug development.
From Lab to Pilot Scale: Commissioning of an Integrated Device for the Generation of Crystals
Authors: Dobler Timo , Höving Stefan , Dreiser Christian , Gleiß Marco , Gröschen Mathias , Henkel Alexander , Hörne Manuel , Schäfer Martin , Sonnenschein Jana , Wiese Georg , Wohlgemuth Kerstin , Kockmann Norbert , Nirschl Hermann
Published: April 2023

Fast time‐to‐market, increased efficiency, and flexibility of production processes are major motivators for the development of integrated, continuous apparatuses with short changeover times. Following this trend, the modular belt crystallizer was developed and characterized in lab scale with the model system sucrose‐water. Based on the promising results, the plant concept was upscaled and commissioned in industrial environment. The results are presented within the scope of this work. Starting from small seed crystals in solution, it was possible to grow, separate, and dry product particles. Further, the conducted experiments demonstrated that it is feasible to transfer the results from laboratory to pilot scale, which in turn enables accelerated process design as well as development.
Resonance‐Enhanced Emission Effects toward Dual‐State Emissive Bright Red and Near‐Infrared Emitters
Authors: Liu Xue , Zhao Fei , Chen Bang , Huang Yifu , Xu Liyan , Li Enmin , Tan Lilin , Zhang Hefeng
Published: April 2023

Resonance‐enhanced emission (REE) effect was discovered and lead to a novel dye family of hydrostyryl pyridinium derivatives in our recent work. Herein, the REE effect was employed to design a red and near‐infrared dual‐state emissive fluorophore family of SW−OH−NO2 derivatives which were easily synthesized by coupling an electron‐withdrawing group (W) onto nitro(hydroxyl)styryl (S−OH−NO2) through a C=C double bond as π‐bridge. The deprotonation of a phenolic hydroxyl group promoted by a nitro group and the electron‐withdrawing group (W) on the other side of the π‐bridge triggered resonance, resulting in significantly red‐shifted emission. All the resultant SW−OH−NO2 compounds showed excellent dual‐state emission behavior. Remarkably, hydrostyryl quinolinium (SQ−OH−NO2) is one of the smallest NIR emitter molecular skeleton (λem=725 nm, MW<400) and showed dual‐state emission characteristics and obvious viscosity‐depended fluorescent behaviors. In addition to constructing electron donor‐acceptor structures and prolonging π‐bridges, the REE effect promises a reliable strategy toward novel fluorophores with small size, long emissive wavelength, and dual‐emission characteristics, and importantly, feasible industrial manufactures and applications due to their easy and low‐cost synthesis strategy.
Allosteric Tuning of Caspase‐7: Establishing the Nexus of Structure and Catalytic Power
Authors: Hobbs Kathryn F. , Propp Jonah , Vance Nicholas R. , Kalenkiewicz Andrew , Witkin Katie R. , Ashley Spies M.
Published: April 2023

Caspase‐7 (C7), a cysteine protease involved in apoptosis, is a valuable drug target for its role in human diseases (e. g., Parkinson's, Alzheimer's, sepsis). The C7 allosteric site has great potential for small‐molecule targeting, but numerous drug discovery efforts have identified precious few allosteric inhibitors. Here we present the first selective, drug‐like inhibitor of C7 along with several other improved inhibitors based on our previous fragment hit. We also provide a rational basis for the impact of allosteric binding on the C7 catalytic cycle by using an integrated approach including X‐ray crystallography, stopped‐flow kinetics, and molecular dynamics simulations. Our findings suggest allosteric binding disrupts C7 pre‐acylation by neutralization of the catalytic dyad, displacement of substrate from the oxyanion hole, and altered dynamics of substrate binding loops. This work advances drug targeting efforts and bolsters our understanding of allosteric structure–activity relationships (ASARs).
A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes
Authors: Krep Lukas , Schmalz Felix , Solbach Florian , Komissarov Leonid , Nevolianis Thomas , Kopp Wassja A. , Verstraelen Toon , Leonhard Kai
Published: April 2023

The front cover artwork is provided by Prof. K. Leonhard's group at RWTH Aachen University. The image shows ChemTraYzer, a virtual robot, while analyzing the reaction network related to the formation and oxidation of Chloro‐Dibenzofuranes. Read the full text of the Research Article at 10.1002/cphc.202200783.
ZnO@C Microballs Wrapped with Ni(OH)2 Nanofilms for Electrochemical Sensing of Glucose and Hydrogen Peroxide
Authors: Waqas Muhammad , Hui Yanxing , Wang Limin , Fan Fangfang , Mahmood Khalid , Chen Wei , Chen Du‐Hong , Fan Youjun , Yasmeen Ghazala
Published: April 2023

Tailor‐made metal oxide/hydroxide core‐shell structures are promising for the fabrication of effective electrocatalysts. Here, we report the development of a core‐shell structure based on carbon‐doped and Ni(OH)2 nanofilms wrapped ZnO microballs (NFs−Ni(OH)2/ZnO@C MBs) for glucose and hydrogen peroxide (H2O2) monitoring. The unique ball‐like morphology of the designed structure is achieved through a facile solvothermal strategy by the control of reaction conditions. Typically, ZnO@C MBs offer highly conductive core, and the shell of Ni(OH)2 nanofilms increases the density of catalytic active sites. The interesting morphology and the brilliant electrocatalytic efficacy of designed hybrid, encourage us to design a multi‐mode sensor for glucose and H2O2 screening. The NFs−Ni(OH)2/ZnO@C MBs/GCE glucose sensor presented good sensitivities (647.899 & 161.550 μA (mmol L−1)−1 cm−2), a quick response (<4 s), lower limit of detection (0.04 μmol L−1), and wide detection range (0.004–1.13 & 1.13–5.02 mmol L−1). Similarly, the same electrode revealed excellent H2O2 sensing features including good sensitivities, two linear parts of 3.5–452 and 452–1374 μmol L−1, and detection limit of 0.03 μmol L−1 as well as high selectivity. Thus, the development of novel hybrid core‐shell structure is useful for potential applications in glucose and H2O2 screening from environmental and physiological samples.
Obesity defined molecular endotypes in the synovium of patients with osteoarthritis provides a rationale for therapeutic targeting of fibroblast subsets
Authors: Wijesinghe Susanne N. , Badoume Amel , Nanus Dominika E. , Sharma‐Oates Archana , Farah Hussein , Certo Michelangelo , Alnajjar Fawzeyah , Davis Edward T. , Mauro Claudio , Lindsay Mark A. , Jones Simon W.
Published: April 2023

Background

Osteoarthritis (OA), a multifaceted condition, poses a significant challenge for the successful clinical development of therapeutics due to heterogeneity. However, classifying molecular endotypes of OA pathogenesis could provide invaluable phenotype‐directed routes for stratifying subgroups of patients for targeted therapeutics, leading to greater chances of success in trials. This study establishes endotypes in OA soft joint tissue driven by obesity in both load‐bearing and non‐load bearing joints.

Methods

Hand, hip, knee and foot joint synovial tissue was obtained from OA patients (n = 32) classified as obese (BMI > 30) or normal weight (BMI 18.5–24.9). Isolated fibroblasts (OA SF) were assayed by Olink proteomic panel, seahorse metabolic flux assay, Illumina's NextSeq 500 bulk and Chromium 10X single cell RNA‐sequencing, validated by Luminex and immunofluorescence.

Results

Targeted proteomic, metabolic and transcriptomic analysis found the inflammatory landscape of OA SFs are independently impacted by obesity, joint loading and anatomical site with significant heterogeneity between obese and normal weight patients, confirmed by bulk RNAseq. Further investigation by single cell RNAseq identified four functional molecular endotypes including obesity specific subsets defined by an inflammatory endotype related to immune cell regulation, fibroblast activation and inflammatory signaling, with up‐regulated CXCL12, CFD and CHI3L1 expression. Luminex confirmed elevated chitase3‐like‐1(229.5 vs. 49.5 ng/ml, p < .05) and inhibin (20.6 vs. 63.8 pg/ml, p < .05) in obese and normal weight OA SFs, respectively. Lastly, we find SF subsets in obese patients spatially localise in sublining and lining layers of OA synovium and can be distinguished by differential expression of the transcriptional regulators MYC and FOS.

Conclusion

These findings demonstrate the significance of obesity in changing the inflammatory landscape of synovial fibroblasts in both load bearing and non‐load bearing joints. Describing multiple heterogeneous OA SF populations characterised by specific molecular endotypes, which drive heterogeneity in OA disease pathogenesis. These molecular endotypes may provide a route for the stratification of patients in clinical trials, providing a rational for the therapeutic targeting of specific SF subsets in specific patient populations with arthritic conditions.
Günter Kelbg, the Kelbg potential and its impact on quantum plasma theory
Authors: Bonitz M. , Ebeling W. , Filinov A. , Kraeft W.D. , Redmer R. , Röpke G.
Published: April 2023

Günter Kelbg did remarkable early work in the field of quantum statistical physics, in particular for dense quantum plasmas. In 2022 we celebrated his 100th birthday. On this occasion, we give a brief overview of his main scientific achievements in the field of quantum plasmas, complemented by some biographical background of his research and teaching environment at Rostock University. Kelbg's main achievement is the derivation of a regularized quantum pair potential. We demonstrate that it is still of high relevance for molecular dynamics and quantum Monte Carlo simulations of dense plasmas.
A million reasons or just one? How coin flips impact the number of relevant reasons for decisions
Authors: Jaffé Mariela E. , Douneva Maria , Bartlome Ronja , Greifeneder Rainer
Published: April 2023

When individuals face difficult decisions, they may turn to random decision‐making aids, such as coin flips, for support. Here, we show that flipping a coin before making a decision impacts the number of reasons that individuals consider when making consumer choices (Study 1), policy decisions (Study 2), personal decisions (Study 3) and breakup decisions (Studies 4a, 4b, 4c). In Studies 1 to 3, flipping a coin resulted in fewer reasons or a reduced increase in the number of reasons that were deemed important. In contrast, when looking at qualitatively different decisions such as breakup decisions (4a to 4c), where using a coin flip may be perceived as unacceptable, flipping a coin resulted in more reasons being taken into account. Across studies, we show that flipping a coin impacts decision‐making processes. Taking breakup decisions aside, a coin flip may ease decision‐making by decreasing the number of reasons taken into account.
Race‐based shifting standards of SES: Potential moderators and implications
Authors: Weeks Matthew , Robinson Jessica , Stansberry Jacob , Connor Paul
Published: April 2023

We report three studies investigating race‐based shifts in interpersonal judgments of SES, investigating potential racism‐related correlates and implications for social judgments. Study 1 examined differences in these race‐based shifts based on respondent race and SES, as well as social dominance orientation, while Study 2 investigated differences based on explicit racial prejudice and motivations to control prejudiced responses. While replicating the shifting standards effect, we observed no relation between either the demographic or prejudice measures and the shifting standards effect. Study 3 used individual differences in the tendency to make these race‐based shifts to predict discriminatory judgments in monetary expectations. Overall, the results supported individual tendencies to make race‐based shifts in judgments of another's SES, and suggest this shift is largely independent of several prominent racial prejudice constructs and predicts potentially discriminatory behaviour. The results are discussed in their implications for interracial and interclass interactions and discriminatory judgments.
Prescribed antiseizure medication doses and their relation to defined daily doses for achieving seizure freedom in newly diagnosed patients with epilepsy
Authors: Hersi Hire , Raitanen Jani , Saarinen Jukka T. , Peltola Jukka
Published: April 2023

Objectives

To investigate the antiseizure medication (ASM) doses required to achieve seizure freedom and their correlation with the World Health Organization's defined daily doses (DDDs) in patients aged 16 years or older with newly diagnosed epilepsy.

Methods

The study included 459 patients with a validated diagnosis of new‐onset epilepsy. Patient records were retrospectively analyzed to determine the ASM doses in patients with or without seizure freedom during follow‐up. The DDD of the relevant ASM was then retrieved.

Results

The seizure‐freedom rate with first and subsequent ASMs was 88% (404/459 patients) during the follow‐up. The mean prescribed doses (PDDs) and PDD/DDD ratio of the most commonly used ASMs, ie, oxcarbazepine (OXC), carbamazepine (CBZ), and valproic acid (VPA), differed significantly between seizure‐free and non‐seizure‐free status (992 mg and 0.99 vs 1132 mg and 1.13; 547 mg and 0.55 vs 659 mg and 0.66; and 953 mg and 0.64 vs 1260 mg and 0.84, respectively). The effect of the OXC dose as the first failed ASM on the possibility of achieving seizure freedom was significant (Fisher's exact test, p = 0.002). Thirty‐four of 43 patients (79%) in which an OXC dose of ≤900 mg failed became seizure‐free, as compared with 24 of 54 patients (44%) with a failed OXC dose >900 mg.

Significance

The present study provides new insights into the doses of the commonly used ASMs such as OXC, CBZ, and VPA that can lead to seizure freedom as monotherapy or as combination therapy. The higher PDD/DDD ratio of OXC (0.99) than that of CBZ or VPA renders a generalized PDD/DDD comparison highly problematic.
Numerical simulation of the palaeotectonic stress field and prediction of the natural fracture distribution in shale gas reservoirs: A case study in the Longmaxi Formation of the Luzhou area, southern Sichuan Basin, China
Authors: Li Jiajie , Qin Qirong , Li Hu , Zhou Jiling , Wang Songtao , Zhao Shengxian , Qin Zhangjin
Published: April 2023

Natural fractures have an important relationship with shale gas production. This study selected the reservoir of the Wufeng‐Longmaxi Formation in Luzhou in southern Sichuan as an example. Based on the seismic reflection map of the formation, using the mechanical parameters obtained from the core sample experiment and using the finite element numerical simulation method, a three‐dimensional geological model is established, the tectonic stress field is inverted and the fracture distribution is predicted according to the Mohr‐Coulomb fracture criterion of the rock fracture, which provides theoretical support for the subsequent well pattern layout and is conducive to improving the efficiency of shale gas exploration and development. The analysis shows that the study area is dominated by NE reverse faults, with an inclination of more than 40°. The core observation results show that the filling degree of fractures is relatively high, and the width is mostly less than 1 mm, mainly caused by tectonic shear fractures. The tectonic stress in the sedimentary belt where the syncline structure is deeply buried is higher, the stress in the northwest and southeast tectonic ridges is relatively low, and the differential stress in the northeast tectonic ridge and near the fault is high. The NE fault and the surrounding rock mass have the highest fracture degree; the fracture proximity coefficient is >1.5 and the fractures are the most developed. The degree of fracture development in the area with a gentle structure is relatively low, but it is far from large faults, which is conducive to preserving shale gas.
Walking through the valley of the shadow of death—The psychotherapy of the head and neck cancer patient expressing suicidal ideations and impulses
Authors: Heyda Alicja , Bieleń Agata , Wygoda Andrzej , Składowski Krzysztof
Published: April 2023

The paper aims to show the multilevel and complex cooperation and the inclusion of the psychotherapist leading the psychotherapy in the medical team at the radiotherapy and clinical oncology clinic. We illustrate these interventions with the case of Stan. This 43‐year‐old firefighter was diagnosed with advanced head and neck cancer and pre‐existing mental health problems meeting the criteria of ICD‐10: obsessive‐compulsive disorder, post‐traumatic stress disorder and psychoactive substance abuse. During the treatment, suicidal thoughts and impulses emerged, triggered at the hospital by electronic noises and the feeling of entrapment without a way out. This situation put the patient at high risk and the whole healthcare team needed an urgent effective response. The patient agreed to stay in the secured room, where he was cared for by doctors, nurses, a dietitian, and a psychotherapist. He actively attended daily sessions with noticeable engagement. Psychotherapy sessions focused on alleviating posttraumatic stress disorder and OCD. Mindfulness and breathwork‐based exercises were implemented to increase non‐judgemental self‐awareness and regulate the over‐aroused nervous system. As a result, the patient's mental health has improved and the completion of the cancer treatment was possible. Psychotherapy, good therapeutic alliance, and attentive teamwork effectively managed his mental health and treatment‐related symptoms.
Current evidence for avoidant restrictive food intake disorder: Implications for clinical practice and future directions
Authors: Archibald Tanith , Bryant‐Waugh Rachel
Published: April 2023

Background

ARFID (avoidant restrictive food intake disorder) is a relatively new diagnostic term covering a number of well‐recognised, clinically significant disturbances in eating behaviour unrelated to body weight/shape concerns. Its phenotypic heterogeneity combined with much about the condition remaining unknown, can contribute to uncertainties about best practice. While other reviews of the evidence base for ARFID exist, few specifically target health care professionals and implications for clinical practice.

Methods

A narrative review was conducted to synthesise the findings of ARFID papers in scientific journals focussing on four key areas relevant to clinical practice: prevalence, assessment and characterisation of clinical presentations, treatment, and service delivery. Freely available online databases were searched for case studies and series, research reports, review articles, and meta‐analyses. Findings were reviewed and practice implications considered, resulting in proposed clinical recommendations and future research directions.

Results

We discuss what is currently known about the four key areas included in this review. Based on available evidence as well as gaps identified in the literature, recommendations for clinical practice are derived and practice‐related research priorities are proposed for each of the four of the areas explored.

Conclusion

Prevalence studies highlight the need for referral and care pathways to be embedded across a range of health care services. While research into ARFID is increasing, further studies across all areas of ARFID are required and there remains a pressing need for guidance on systematic assessment, evidence‐based management, and optimal service delivery models. Informed clinical practice is currently predominantly reliant on expert consensus and small‐scale studies, with ongoing routine clinical data capture, robust treatment trials and evaluation of clinical pathways all required. Despite this, a number a positive practice points emerge.
Unraveling non‐participation in genomic research: A complex interplay of barriers, facilitators, and sociocultural factors
Authors: McConkie‐Rosell Allyn , Spillmann Rebecca C. , Schoch Kelly , Sullivan Jennifer A. , Walley Nicole , McDonald Marie ,   Undiagnosed Diseases Network, Hooper Stephen R. , Shashi Vandana
Published: April 2023

Although genomic research offering next‐generation sequencing (NGS) has increased the diagnoses of rare/ultra‐rare disorders, populations experiencing health disparities infrequently participate in these studies. The factors underlying non‐participation would most reliably be ascertained from individuals who have had the opportunity to participate, but decline. We thus enrolled parents of children and adult probands with undiagnosed disorders who had declined genomic research offering NGS with return of results with undiagnosed disorders (Decliners, n = 21) and compared their data to those who participated (Participants, n = 31). We assessed: (1) practical barriers and facilitators, (2) sociocultural factors—genomic knowledge and distrust, and (3) the value placed upon a diagnosis by those who declined participation. The primary findings were that residence in rural and medically underserved areas (MUA) and higher number of barriers were significantly associated with declining participation in the study. Exploratory analyses revealed multiple co‐occurring practical barriers, greater emotional exhaustion and research hesitancy in the parents in the Decliner group compared to the Participants, with both groups identifying a similar number of facilitators. The parents in the Decliner group also had lower genomic knowledge, but distrust of clinical research was not different between the groups. Importantly, despite their non‐participation, those in the Decliner group indicated an interest in obtaining a diagnosis and expressed confidence in being able to emotionally manage the ensuing results. Study findings support the concept that some families who decline participation in diagnostic genomic research may be experiencing pile‐up with exhaustion of family resources – making participation in the genomic research difficult. This study highlights the complexity of the factors that underlie non‐participation in clinically relevant NGS research. Thus, approaches to mitigating barriers to NGS research participation by populations experiencing health disparities need to be multi‐pronged and tailored so that they can benefit from state‐of ‐the art genomic technologies.
Characterization by LC–MS/MS of oxidized products identified in synthetic peptide somatostatin and cetrorelix submitted to forced oxidative stress by hydrogen peroxide: Two case studies
Authors: Datola Antonio , Pistacchio Alessandra , Simone Patrizia , Colarusso Lucia , Melchiorre Maura , Rinaldi Gianluca , Amidi Maryam , Politi Jane , Angiuoni Gabriella
Published: April 2023

In a broader scenario, the forced degradation studies provided by the ICH guidelines for Q1A, Q1B, and Q2B degradation studies allow to know the CQA of the molecule used as a drug product, to determine the appropriate analytical methods, excipients, and storage conditions ensuring the quality of the drug, its efficacy, and patient safety. In this study, we focused our attention on understanding how oxidative stress is performed by H2O2‐impacted small synthetic peptides that do not contain residues susceptible to oxidation such as methionine. Among the amino acids susceptible to oxidation, methionine is the most reactive and depending on the structure of the protein where it is exposed, it tends to oxidize by converting into methionine sulfone or methionine sulfoxide by oxidation of its sulfur atom. Scouting experiments obtained by forced oxidative stress conditions are presented on two small synthetic peptides that do not contain any methionine residues spiked with different amounts of H2O2, and they are analyzed by LC–MS/MS. Less frequent oxidation products than those commonly observed on proteins/peptides‐containing methionine have been characterized on both peptides. The study demonstrated that somatostatin, by means of one residue of tryptophan on the molecule, can generate traces of several oxidized products detected by UPLC–MS. Furthermore, even at a negligible level, oxidation on tyrosine and proline in cetrorelix that does not contain methionine nor tryptophan has been detected by UHPLC–MS/MS. Identification and quantification of oxidized species were achieved by high‐resolution MS and MS/MS experiments. Thus, FDSs undoubtedly aid the evaluation of the CQAs as an important component of the characterization package as recommended by HAs and ICH, facilitating the understanding of unforeseen features of the studied molecule used as drugs.
Abundance and distribution of arbuscular mycorrhizal fungi associated with oil‐yielding plants
Authors: Yadav Alpa , Batra Divya , Kaushik Prashant , Mohanta Tapan K.
Published: April 2023

Due to their role in nutrient transmission, arbuscular mycorrhizal fungi (AMF) are widespread plant root symbionts. They may improve plant production by altering plant community structure and function. Therefore, a study was conducted in the state of Haryana to analyze the distribution pattern, diversity, and association of different AMF species with oil‐yielding plants. The results of the study revealed the percentage of root colonization, sporulation, and diversity of fungal species associated with the selected 30 oil‐yielding plants. The percentage root colonization ranged from 0% to 100%, the highest in Helianthus annuus (100.00 ± 0.00) and Zea mays (100.00 ± 0.00) and the least in Citrus aurantium (11.87 ± 1.43). At the same time, there was no root colonization in the Brassicaceae family. The number of AMF spores present in 50 g of soil samples varied from 17.41 ± 5.28 to 497.2 ± 8.38, with maximum spore population in Glycine max (497.2 ± 8.38) and minimum in Brassica napus (17.41 ± 5.28). Besides, the presence of several species of different genera of AMF was reported in all the studied oil‐yielding plants, that is, 60 AMF belonging to six genera viz. Acaulospora, Entrophospora, Glomus, Gigaspora, Sclerocystis, and Scutellospora were observed. Overall, this study will promote AMF usage in oil‐yielding plants.
Surgical site infection after pelvic bone and soft tissue sarcoma resection: Risk factors, microbiology, and impact of extended postoperative antibiotic prophylaxis
Authors: Bensaid Samuel , Contejean Adrien , Morand Philippe , Enser Maya , Eyrolle Luc , Charlier Caroline , Kernéis Solen , Anract Philippe , Biau David , Canouï Etienne ,   Other Members of the CRIOACochin Group
Published: April 2023

Background

Pelvic bone and/or soft tissue sarcoma removal surgeries are associated with a high rate of surgical site infection (SSI). The recommended antibiotic prophylaxis (ABP) duration is 24−48 h. We aimed to assess the impact of extended ABP (5 days) on the SSI rate and describe the microbiology of SSI in bone and/or soft tissue pelvic sarcomas.

Methods

We retrospectively included all consecutive patients who underwent pelvic bone and/or soft tissue sarcoma removal surgery between January 2010 and June 2020.

Results

We analyzed 146 patients with pelvic bone (45, 31%) or soft tissue (101, 69%). Sixty patients (41%) developed SSI. SSI occurred in 13/28 (46.4%) in the extended ABP group versus 47/118 (39.8%) in the standard group (p = 0.53). In multivariable analysis, risk factors for SSI were surgery duration (OR: 1.94 [1.41−2.92] per h), stay in postoperative ICU for more than 2 days (12.0 [2.8−61.3]), and shred or autologous skin flap (39.3 [5.8−409.5]). Extended ABP was not associated with SSI. SSI were mainly polymicrobial with Enterobacterales (57.4%) and Enterococcus (45%).

Conclusions and Discussion

Pelvic bone and/or soft tissue sarcoma removal surgery is highly prone to postoperative infection. Extending the ABP to 5 days does not reduce the level of SSI.
Eu3+‐Activated Single‐Band Ratiometric Nanothermometry by Lattice Negative Thermal Expansion
Authors: Pu Luyao , Li Panlai , Zhao Jiaoyin , Wang Yu , Guo Dongxu , Li Leipeng , Wang Zhijun , Suo Hao
Published: April 2023

Single‐band ratiometric (SBR) thermometry has recently emerged as a powerful alternative to its dual‐emission counterparts because it can avoid the large uncertainties related to the emission spectral overlap or light absorption/scattering by the medium. Herein, a novel SBR thermometric scheme in Sc2Mo3O12:Eu3+ nanosheet that depends on thermal enhancement of charge‐transfer state absorption between O2− and Eu3+ is reported. Mechanistic investigation reveals the vital role of the lattice negative thermal expansion (NTE) for thermally enhanced Eu3+ emissions according to the configuration coordinate model. In contrast, serious thermal quenching of Eu3+ emissions is detected under the excitation wavelength corresponding to ground state absorption. Such excitation wavelength‐dependent thermal behavior of luminescence enabled SBR thermometry with high sensitivity and resolution (Sr = 2.0% K−1, δT = 0.121 K at 363 K). Finally, the applicability of the proposed SBR model to real‐world sensing scenarios is demonstrated using the as‐fabricated flexible thin‐film, offering accurate and real‐time temperature detection at the local hotspot in the electronic component.
An Unconventional Route for Synthesis and Solid‐State Processing of Low‐Entangled Ultra‐High Molecular Weight Isotactic Polypropylene
Authors: Romano Dario , Marroquin‐Garcia Ramiro , Gupta Virendrakumar , Rastogi Sanjay
Published: April 2023

Introducing the reverse micelle formation during polymerization, and thus avoiding the catalyst support, aggregated single crystals of ultra‐high molecular weight isotactic polypropylene having spherical morphology are obtained. The ease in flowability of the spherical nascent morphology, having a low‐entangled state in the non‐crystalline region of the single crystals in the semi‐crystalline polymer, allows the sintering of the nascent polymer in the solid state without melting. Thus maintains a low‐entangled state, and facilitates the translation of macroscopic forces to macromolecular length scale, without melting, leading to the formation of uniaxially drawn objects having unprecedented properties that can be used in the development of one component, high‐performance, easy‐to‐recycle composites. Thus having the potential of replacing difficult‐to‐recycle hybrid composites.
Probe‐based mass spectrometry approaches for single‐cell and single‐organelle measurements
Authors: Castro Daniel C. , Chan‐Andersen Peter , Romanova Elena V. , Sweedler Jonathan V.
Published: April 2023

Exploring the chemical content of individual cells not only reveals underlying cell‐to‐cell chemical heterogeneity but is also a key component in understanding how cells combine to form emergent properties of cellular networks and tissues. Recent technological advances in many analytical techniques including mass spectrometry (MS) have improved instrumental limits of detection and laser/ion probe dimensions, allowing the analysis of micron and submicron sized areas. In the case of MS, these improvements combined with MS's broad analyte detection capabilities have enabled the rise of single‐cell and single‐organelle chemical characterization. As the chemical coverage and throughput of single‐cell measurements increase, more advanced statistical and data analysis methods have aided in data visualization and interpretation. This review focuses on secondary ion MS and matrix‐assisted laser desorption/ionization MS approaches for single‐cell and single‐organelle characterization, which is followed by advances in mass spectral data visualization and analysis.
Cerebellar Syndrome Induced by Hypomagnesemia: A Treatable Cause of Ataxia Not to be Missed. Report of Three Cases and a Review of the Literature
Authors: Olmedo‐Saura Gonzalo , Pérez‐Pérez Jesús , Xuclà‐Ferrarons Tomás , Collet Roger , Martínez‐Viguera Ana , Kulisevsky Jaime
Published: April 2023

Background

Magnesium is an important intracellular cation involved in essential enzymatic reactions. It is necessary for neuronal function and its depletion can produce neurological symptoms such as cramps or seizures. Clinical consequences of its deficit in the cerebellum are less known and the diagnosis can be delayed because of the lack of awareness on this condition.

Cases

We present three cases of cerebellar syndrome (CS) due to hypomagnesemia: A midline CS with myoclonus and ocular flutter and two cases of hemispheric CS, one of them entailed a Schmahmann's syndrome and the other suffered a seizure. MRI findings revealed cerebellar vasogenic edema and the symptoms improved after magnesium replacement in all cases.

Literature Review

We reviewed 22 cases of CS due to hypomagnesemia, all with subacute onset (days to weeks). Encephalopathy and/or epileptic seizures were common. MRI findings were vasogenic edema involving the cerebellar hemispheres, the vermis, or the nodule. Up to 50% of patients presented hypocalcemia and/or hypokalemia. All the patients showed symptomatic improvement after magnesium replacement, but 50% showed significant sequelae, and 46% relapsed.

Conclusions

Hypomagnesaemia should always be considered in the differential diagnosis of CS as it has a potential treatment, and its early recognition can avoid recurrences and permanent cerebellar impairment.
The use of a skin paddle‐containing vein graft for arteriovenous looping in two‐stage free flap reconstruction of lower extremities
Authors: Ho Chun‐Yee , Roan Tyng‐Luen , Hsieh Chi‐Ying , Yu Yen‐Chen , Chen Yo‐Shen
Published: April 2023

Background

Arteriovenous (AV) looping prior to the lower extremity free flap reconstruction enables better venous drainage in flap circulation, leading to less flap complications and better survival. A two‐staged reconstruction including free tissue transfer after AV looping ensures a robust venous drainage of the flap. Arterialization of the AV loop results in less venous problems after the free flap reconstruction. However, major problems of this staged operation include AV loop kinking, heavy compression and loop exposure, leading to AV graft failure and interruption of surgical planning. The purpose of this article is to summarize probable flaws we noticed in conventional two‐stage lower limb reconstruction and overcome those problems using the skin paddle‐containing vein graft.

Method

Eight patients with lower limb defects underwent lower limb reconstruction surgery using this technique at our institute. The mean age was 52 years old. Of the eight patients, three of them have the defect due to infection. Three of them was due to trauma and three of them was due to full‐thickness burn. Five of the defects located at foot. The other three defects located at heel, knee, and pretibial region. All of them require AV looping because of unavailability of nearby recipient vessels. They all received a two‐stage operation, including the first stage AV looping with a skin paddle‐containing vein graft and the second stage definite free tissue transfer.

Results

The mean defect size was 140 cm2 (72–225). The mean length of AV loops was 17.1 cm (8–25). The mean size of skin paddles for vein grafts was 19.4 cm2 (15–24). The mean size of free ALT flaps 154.4 cm2 (105–252). All eight patients experienced a smooth postoperative course with no major or minor complications. There were no graft thrombosis or graft rupture complications during the vascular maturation period. All eight AV loops survived during maturation. All eight patients progressed to the second stage surgery. Maturation time ranged from 5 to 7 days. Free ALT flap was employed during the second stage reconstruction. All flaps survived at the last follow‐up visit. There was no partial flap loss and complications. The mean follow‐up time was 12.25 months, ranging from 8 to 17 months.

Conclusion

The skin paddle‐containing vein graft is an effective modification of the regular vein graft for AV looping procedure. The skin paddle prevents the underlying AV loop from compression, kinking and twisting during maturation. It also aids assessing patency of the AV loop and avoids the formation of adhesion between the AV loop and the surrounding tissue.
Low back pain in pregnant women: A necessary or an avoidable evil?
Authors: Ben Nessib Dorra , Armi Sawssem , Ferjani Hanène , Garsi Mariem , Ben Sassi Senda , Kerkeni Sarra , Ben Aissa Rania , Berraies Ghada , Kaffel Dhia , Mathlouthi Nabil , Maatallah Kaouther , Belghith Cyrine , Slimani Olfa , Hamdi Wafa
Published: April 2023

Objectives

The aim of this study was to determine the prevalence, the main features and the potential risk factors of LBP in pregnant women.

Methods

This cross‐sectional study included 173 pregnant women in the third trimester. Non‐inclusion criteria were severe mental disability and known previous history of musculoskeletal diseases. The participants were categorised into two groups: women with pregnancy‐related LBP and pain‐free women. Demographic, socio‐professional, clinical and obstetrical data were compared between the two groups using the appropriate statistical tests.

Results

The mean age was 32.2 ± 5.4 years [17–45]. Among them, 108 (62.4%) reported one or more episodes of LBP during at least 7 days, mostly in the third semester (n = 71). The presence of LBP was significantly associated with history of LBP in previous pregnancies and jobs requiring prolonged standing. Active jobs and the presence of gestational complications were significantly more common in pain‐free women. In the multivariate analysis, LBP was independently predicted by the history of LBP in previous pregnancies and the absence of gestational complications.

Conclusions

The association of LBP with gestational complications as a protective factor has not yet been reported in previous studies. These complications are a common cause of hospitalisation, which represents a period of relative rest during pregnancy. Our results revealed that history of LBP in previous pregnancies, sedentary lifestyle prior to pregnancy and prolonged standing are the main risk factors of LBP. In contrast, rest and avoidance of physical overstrain during pregnancy may be protective factors.
Pelvic floor investigations for anal incontinence: Are they useful to predict outcomes from conservative treatment?
Authors: Cuinas Karina , Ferrari Linda , Igbedioh Carlene , Solanki Deepa , Williams Andrew , Schizas Alexis , Hainsworth Alison
Published: April 2023

Aims

There are several options for treating anal incontinence (AI), with limited success rate in long‐term follow‐up. Patients' selection is important to avoid unnecessary investigations and therapies. The aim of this review is to assess the utility of pelvic floor investigations to predict success from conservative treatment in AI.

Methods

Baseline demographics, severity scores, and pelvic floor investigations of 490 patients with AI symptoms were retrospectively reviewed. Patient‐reported outcomes were used to define success of conservative treatment.

Results

Bivariate analysis showed that gender, St Mark's incontinence score, Bowel continence and quality of life domains of International Consultation on Incontinence Modular Questionnaire–Bowel symptoms score, Bristol stool chart, anal squeeze pressure, enterocoele, leak of contrast at rest, and dyssynergia in defecography were associated with patient's outcomes from conservative treatment (p < 0.05). Multivariate analysis showed that only the Bowel continence score was an independent predictor of patient's success with treatment.

Conclusions

Pelvic floor investigations are of limited value to predict success of conservative treatment and they should be reserved for patients who fail noninvasive management and might require surgical intervention.
Is designed data collection still relevant in the big data era?
Authors: Anderson‐Cook Christine M. , Lu Lu
Published: April 2023

The excitement and buzz around big data (BD) has been so prevalent that it seems BD has become thought of as a panacea for solving all challenges. But there are in fact limitations to what BD can do, which has led to missed opportunities and potentially suboptimal problem‐solving and decision‐making. Hence the answer to the question posed in the title is an emphatic ‘Yes!’ The intentional strategic use of designed data collection (DDC) represents an opportunity to elevate how studies involving BD are planned, executed, and interpreted to deliver more satisfying solutions. In this paper, we outline eleven opportunities for integrating DDC strategies, including statistical design of experiments (DoE) and sampling techniques, with BD at all stages of the study. There are opportunities for building background understanding of the problem and improving the quality of the data via strategic planning before acquiring BD. In addition, incorporating DDC into the collection and processing of the actual BD, and strengthening conclusions or augmenting with supplementary designed data after BD also represent key opportunities to increase the impact of BD in the era of Industry 4.0 and Quality 4.0.
Online error rate control for platform trials
Authors: Robertson David S. , Wason James M. S. , König Franz , Posch Martin , Jaki Thomas
Published: April 2023

Platform trials evaluate multiple experimental treatments under a single master protocol, where new treatment arms are added to the trial over time. Given the multiple treatment comparisons, there is the potential for inflation of the overall type I error rate, which is complicated by the fact that the hypotheses are tested at different times and are not necessarily pre‐specified. Online error rate control methodology provides a possible solution to the problem of multiplicity for platform trials where a relatively large number of hypotheses are expected to be tested over time. In the online multiple hypothesis testing framework, hypotheses are tested one‐by‐one over time, where at each time‐step an analyst decides whether to reject the current null hypothesis without knowledge of future tests but based solely on past decisions. Methodology has recently been developed for online control of the false discovery rate as well as the familywise error rate (FWER). In this article, we describe how to apply online error rate control to the platform trial setting, present extensive simulation results, and give some recommendations for the use of this new methodology in practice. We show that the algorithms for online error rate control can have a substantially lower FWER than uncorrected testing, while still achieving noticeable gains in power when compared with the use of a Bonferroni correction. We also illustrate how online error rate control would have impacted a currently ongoing platform trial.
‚Materialität‘ als Begriff und Kategorie der Korrelation von Recht und Literatur
Authors: Stiening Gideon
Published: April 2023

Die Frage, in welchem Verhältnis Recht und Literatur zueinander stehen bzw. in welchen Formen sie zueinander in Beziehung gesetzt werden können oder gar müssen, lässt sich auf unterschiedliche Weise beantworten. Eine der grundlegenden Korrelationen besteht zweifellos darin, dass sich das Recht die Literatur und die Literatur das Recht jeweils zu ihrem Gegenstand machen. Dieses ebenso spezifische wie grundlegende Korrelationsverhältnis konstituiert Prozesse gegenseitiger Vergegenständlichung, die man zunächst mit dem beide übergreifenden Begriff der ‚Materialität‘ fassen kann, die die höchst unterschiedlichen Verobjektivierungen, nämlich die rechtliche Vergegenständlichung der Literatur und die literarische Vergegenständlichung des Rechts, kategorial zu fassen sucht. Da die Verrechtlichung der Literatur und die Literarisierung des Rechts zwei grundsätzlich unterschiedene Vorgänge sind, haben deren Gemeinsamkeiten im Rahmen der Formierung eines allgemeinen Begriffs der ‚Materialität‘ vor allem formalen Charakter.