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Dietary proteins serve as sources of exogenous peptides, after being released from the protein and absorbed, the bioactive peptides can perform several functions in the body. The objective of the current systematic review is to answer the question "How does food derived bioactive peptides can impact on gut health and inflammatory mediators in vivo?" The search was performed at PubMed, Cochrane, and Scopus databases for experimental studies, and the risk of bias was assessed by the SYRCLE tool. The data analysis was conducted following the PRISMA guidelines. Eleven studies performed in animal models evaluating bioactive peptides derived from animal and plant sources were included and evaluated for limitations in heterogeneity, methodologies, absence of information regarding the allocation process, and investigators' blinding. The bioactive peptides demonstrated potential positive effects on inflammation and gut health. The main results identified were a reduction in TNF-α, NF-κB, and TLR4, an improvement in IgA production and in intestinal morphology, with an increase in villi surface area and goblet cell diameter, and Shannon and Simpson indexes were also increased. However, more in vivo studies are still necessary to better elucidate the anti-inflammatory activity and mechanisms by which peptides regulate gut health. PROSPERO (CRD42023416680). [ABSTRACT FROM AUTHOR]

Carotenoids have anti-inflammatory and antioxidant properties, being a potential bioactive compound for gut health. The objective of this systematic review was to investigate the effects of carotenoids on gut microbiota, gut barrier, and inflammation in healthy animals. The systematic search from PubMed, Scopus, and Lilacs databases were performed up to March 2023. The final screening included thirty studies, with different animal models (mice, rats, pigs, chicks, drosophila, fish, and shrimp), and different carotenoid sources (β-carotene, lycopene, astaxanthin, zeaxanthin, lutein, and fucoxanthin). The results suggested that carotenoids seem to act on gut microbiota by promoting beneficial effects on intestinal bacteria related to both inflammation and SCFA production; increase tight junction proteins expression, important for reducing intestinal permeability; increase the mucins expression, important in protecting against pathogens and toxins; improve morphological parameters important for digestion and absorption of nutrients; and reduce pro-inflammatory and increase anti-inflammatory cytokines. However, different carotenoids had distinct effects on gut health. In addition, there was heterogeneity between studies regarding animal model, duration of intervention, and doses used. This is the first systematic review to address the effects of carotenoids on gut health. Further studies are needed to better understand the effects of carotenoids on gut health. [ABSTRACT FROM AUTHOR]

Melatonin is synthesized in and secreted from the pineal glands and regulates circadian rhythms. Although melatonin has been reported to modulate the activity of ion channels in several tissues, its effects on pineal ion channels remain unclear. In the present study, the effects of melatonin on voltage-gated K+ (KV) channels, which play a role in regulating the resting membrane potential, were examined in rat pinealocytes. The application of melatonin reduced pineal KV currents in a concentration-dependent manner (IC50 = 309 µM). An expression analysis revealed that KV4.2 channels were highly expressed in rat pineal glands. Melatonin-sensitive currents were abolished by the small interfering RNA knockdown of KV4.2 channels in rat pinealocytes. In human embryonic kidney 293 (HEK293) cells expressing KV4.2 channels, melatonin decreased outward currents (IC50 = 479 µM). Inhibitory effects were mediated by a shift in the voltage dependence of steady-state inactivation in a hyperpolarizing direction. This inhibition was observed even in the presence of 100 nM luzindole, an antagonist of melatonin receptors. Melatonin also blocked the activity of KV4.3, KV1.1, and KV1.5 channels in reconstituted HEK293 cells. The application of 1 mM melatonin caused membrane depolarization in rat pinealocytes. Furthermore, KV4.2 channel inhibition by 5 mM 4-aminopyridine attenuated melatonin secretion induced by 1 µM noradrenaline in rat pineal glands. These results strongly suggest that melatonin directly inhibited KV4.2 channels and caused membrane depolarization in pinealocytes, resulting in a decrease in melatonin secretion through parasympathetic signaling pathway. This mechanism may function as a negative-feedback mechanism of melatonin secretion in pineal glands. [ABSTRACT FROM AUTHOR]

Key Clinical Message: CYP3A4 and CYP3A5 are the most abundant and important enzymes of the CYP3A subfamily, distributed in the liver, intestinal mucosa and kidney, and involved in tacrolimus metabolism. Here, we report a case of tacrolimus dosage refractoriness due to a genetic polymorphism of CYP3A5. [ABSTRACT FROM AUTHOR]

Ferroptosis is a type of regulated cell death hallmarked by iron-mediated excessive lipid oxidation. Over the past decade since the coining of the term ferroptosis, advances in research have led to the identification of intracellular processes that regulate ferroptosis such as GSH-GPX4 pathway and FSP1-coenzyme Q10/vitamin K pathway. From a disease perspective, the involvement of ferroptosis in pathological conditions including kidney disease has attracted attention. In terms of renal pathophysiology, ferroptosis has been widely investigated for its involvement in ischemia–reperfusion injury, nephrotoxin-induced kidney damage and other renal diseases. Therefore, therapeutic interventions targeting ferroptosis are expected to become a new therapeutic approach for these diseases. However, when considering cell death as a therapeutic target, careful consideration must be given to (i) in which type of cells, (ii) which type of cell death mode, and (iii) in which stage or temporal window of the disease. In the next decade, elucidation of the true involvement of ferroptosis in kidney disease setting in human, and development of clinically applicable and effective therapeutic drugs that target ferroptosis are warranted. [ABSTRACT FROM AUTHOR]

Summary Daridorexant is a dual orexin receptor antagonist for the treatment of insomnia. We report results from the first two randomised, double‐blind clinical studies of daridorexant in Japanese subjects. In the Phase 1 study, daridorexant (10, 25, 50 mg) or placebo were administered in the morning for 4 days in 24 young (mean age 26.9 years) and 24 older (mean age 69.7 years) healthy Japanese adults. Daridorexant reached a peak plasma concentration within 1.0 h across every dose and age group. For all doses, the mean plasma concentration of daridorexant showed a similar change between the age groups. Exposure parameters increased dose‐dependently with minimal/no accumulation upon repeated dosing. The terminal half‐life was ~8 h. In the Phase 2, four‐period, four‐way crossover study, 47 Japanese subjects (mean age 50.4 years) with insomnia disorder were randomised to receive four treatments (daridorexant 10, 25, 50 mg, placebo) during four treatment periods, each consisting of two treatment nights (5–12 day washout between treatment periods). Subjects continued their fourth treatment for 12 further days. A statistically significant dose–response relationship (multiple‐comparison procedure‐modelling, p < 0.0001) was found in the reduction of polysomnography‐measured wake after sleep onset (WASO; primary endpoint) and latency to persistent sleep (secondary endpoint) from baseline to days 1/2. Statistically significant dose–response relationships were also observed for secondary subjective endpoints from baseline to days 1/2 (sWASO, latency to sleep onset). All daridorexant doses were well tolerated, with no treatment discontinuations and no next‐morning residual effects. These results supported further investigation of daridorexant in Japanese patients with insomnia disorder. [ABSTRACT FROM AUTHOR]

Background and objective: A prospective, postmarketing observational study was conducted to evaluate the safety and efficacy of lemborexant (LEM) tablets in daily clinical practice in Japan. No other studies of a similar size have been conducted since the marketing approval of LEM, making this the first report of its kind. Methods: Insomnia patients (n = 550) administered LEM (5–10 mg daily) for the first time were enrolled. Adverse events were collected for target events (somnolence, parasomnia, narcolepsy and associated conditions, suicidal ideation and suicidal behavior). Overall improvement of insomnia symptoms was assessed by the investigator based on the patient's complaint. Subjective sleep onset latency (sSOL) and subjective total sleep time (sTST) were investigated as sleep parameters. Results: A case report form was obtained from 539 patients. The incidence of adverse drug reactions (ADRs) was 7.65% for somnolence, 1.76% for nightmares, 0.59% for abnormal dreams, and 0.20% for sleep paralysis. No serious ADRs or ADRs related to suicidal ideation or suicidal behavior were observed. The efficacy rate at the final evaluation was 80.83%. Decreased sSOL and increased sTST were observed as assessed starting from Week 8 of treatment. Conclusion: Based on the results of this study, the safety result was consistent with the safety profile described in the current package insert. Efficacy results also indicated that LEM is clinically useful. [ABSTRACT FROM AUTHOR]

Andexanet alfa is a Gla-domainless mutant (S195A) factor Xa (GDXa) approved for acute reversal of oral factor Xa inhibitors. Cardiac surgery patients exposed to andexanet before cardiopulmonary bypass often exhibit severe heparin resistance. There is a paucity of data on the effectiveness and optimal dosage of antithrombin use in this setting. The objective of this study was to evaluate the in vitro effect of increased heparin with antithrombin levels on attenuating heparin resistance induced by GDXa. Heparinised normal pooled plasma and cardiopulmonary bypass plasma were spiked with GDXa 4 μM. Tissue factor-activated thrombin generation was used to assess heparin reversal effects of GDXa and restoration of anticoagulation with additional heparin with and without antithrombin. Serum thrombin–antithrombin complex, antithrombin activity, and tissue factor pathway inhibitor were also measured in tissue factor-activated, recalcified cardiopulmonary bypass plasma spiked with GDXa. In normal pooled plasma, GDXa-induced heparin reversal was mitigated by maintaining a high heparin concentration (12 U ml−1) and supplementing antithrombin (1.5–4.5 μM) based on peak and velocity of thrombin generation. Heparin reversal by GDXa was also demonstrated in cardiopulmonary bypass plasma, but supplementing both heparin (8 U ml−1) and antithrombin (3 μM) attenuated GDXa-induced changes in peak and velocity of thrombin generation by 72.5% and 72.2%, respectively. High heparin and antithrombin levels attenuated thrombin–antithrombin complex formation in tissue factor-activated, GDXa-spiked cardiopulmonary bypass plasma by 85.7%, but tissue factor pathway inhibitor remained depleted compared with control cardiopulmonary bypass plasma. Simultaneous supplementation of heparin and antithrombin mitigate GDXa-induced heparin resistance by compensating for the loss of tissue factor pathway inhibitor. [ABSTRACT FROM AUTHOR]

Synthetic breakthroughs diversify the molecules and polymers available to chemists. We now report the first successful synthesis of a series of optically‐pure 2,2′‐tethered binaphthyl‐embedded helical ladder polymers based on quantitative and chemoselective ladderization by the modified alkyne benzannulations using the 4‐alkoxy‐2,6‐dimethylphenylethynyl group as the alkyne source, inaccessible by the conventional approach lacking the 2,6‐dimethyl substituents. Due to the defect‐free helix formation, the circular dichroism signal increased by more than 6 times the previously reported value. The resulting helical secondary structure can be fine‐tuned by controlling the binaphthyl dihedral angle in the repeating unit with variations in the 2,2′‐alkylenedioxy tethering groups by one carbon atom at a time. The optimization of the helical ladder structures led to a strong circularly polarized luminescence with a high fluorescence quantum yield (28 %) and luminescence dissymmetry factor (2.6×10−3). [ABSTRACT FROM AUTHOR]

Synthetic breakthroughs diversify the molecules and polymers available to chemists. We now report the first successful synthesis of a series of optically‐pure 2,2′‐tethered binaphthyl‐embedded helical ladder polymers based on quantitative and chemoselective ladderization by the modified alkyne benzannulations using the 4‐alkoxy‐2,6‐dimethylphenylethynyl group as the alkyne source, inaccessible by the conventional approach lacking the 2,6‐dimethyl substituents. Due to the defect‐free helix formation, the circular dichroism signal increased by more than 6 times the previously reported value. The resulting helical secondary structure can be fine‐tuned by controlling the binaphthyl dihedral angle in the repeating unit with variations in the 2,2′‐alkylenedioxy tethering groups by one carbon atom at a time. The optimization of the helical ladder structures led to a strong circularly polarized luminescence with a high fluorescence quantum yield (28 %) and luminescence dissymmetry factor (2.6×10−3). [ABSTRACT FROM AUTHOR]

Ferroptosis, a regulated cell death hallmarked by excessive lipid peroxidation, is implicated in various (patho)physiological contexts. During ferroptosis, lipid peroxidation leads to a diverse change in membrane properties and the dysre)gulation of ion homeostasis via the cation channels, ultimately resulting in plasma membrane rupture. This review illuminates cellular membrane dynamics and cation handling in ferroptosis regulation. [ABSTRACT FROM AUTHOR]

Early laparoscopic cholecystectomy (ELC) is the standard treatment for acute cholecystitis (AC). However, predicting the difficulty of this procedure remains challenging. The present study aimed to develop an improved prediction model for surgical difficulty during ELC, surpassing the current Tokyo Guidelines 2018 (TG18) grading system. We analyzed data from 201 consecutive patients who underwent ELC for AC between 2019 and 2021. Surgical difficulty was defined as the failure to achieve the critical view of safety (non-CVS). We developed a scoring system by conducting multivariate analysis on demographics, symptoms, laboratory data, and radiographic findings. The predictive accuracy of our scoring system was compared to that of the TG18 grading system (Grade I vs. Grade II/III). Through multivariate logistic regression analysis, a novel scoring system was formulated. This system incorporated preoperative C-reactive protein (CRP) values (≥5: 1 pt, ≥10: 2 pts, ≥15: 3 pts) and TG18 grading score (duration >72 h: 1 pt, image criteria for Grade II AC: 1 pt). Our model, a cutoff score of ≥3, exhibited a significantly elevated area under the curve (AUC) of 0.721 compared to the TG18 grading system alone (AUC 0.609) (p = 0.001). Combining preoperative CRP values with TG18 grading criteria can enhance the accuracy of predicting intraoperative difficulty in ELC for AC. [ABSTRACT FROM AUTHOR]

The δ opioid receptor (DOR) inverse agonist has been demonstrated to improve learning and memory impairment in mice subjected to restraint stress. Here, we investigated the effects of SYK-623, a new DOR inverse agonist, on behavioral, immunohistochemical, and biochemical abnormalities in a mouse model of imipramine treatment-resistant depression. Male ddY mice received daily treatment of adrenocorticotropic hormone (ACTH) combined with chronic mild stress exposure (ACMS). SYK-623, imipramine, or the vehicle was administered once daily before ACMS. After three weeks, ACMS mice showed impaired learning and memory in the Y-maze test and increased immobility time in the forced swim test. SYK-623, but not imipramine, significantly suppressed behavioral abnormalities caused by ACMS. Based on the fluorescent immunohistochemical analysis of the hippocampus, ACMS induced a reduction in astrocytes and newborn neurons, similar to the reported findings observed in the postmortem brains of depressed patients. In addition, the number of parvalbumin-positive GABA neurons, which play a crucial role in neurogenesis, was reduced in the hippocampus, and western blot analysis showed decreased glutamic acid decarboxylase protein levels. These changes, except for the decrease in astrocytes, were suppressed by SYK-623. Thus, SYK-623 mitigates behavioral abnormalities and disturbed neurogenesis caused by chronic stress. [ABSTRACT FROM AUTHOR]

We report the preliminary demonstration of continuous wave (cw) GaSb-based interband cascade lasers (ICLs) with hybrid cladding layers at high temperatures up to 80 °C near a wavelength of 3.72 μm. These ICLs have narrow-ridge widths of 7–11 μm with improved thermal dissipation compared to broad-area devices. They delivered a cw output power of more than 30 mW/facet at 20 °C and had a cw threshold current density of 270 A/cm2 with a voltage efficiency of 78% at 300 K. The obtained voltage efficiency of 78% is the highest ever reported among cw GaSb-based ICLs at room temperature, indicating an advantage of efficient carrier transport in the ICL with the hybrid cladding layers. The dependence of device performance on the narrow-ridge width and cavity length was investigated. The results suggested ways to further improve future devices. [ABSTRACT FROM AUTHOR]

The total power conversion efficiency (PCE) of 28.4% with an aperture area of 64 cm2 on a four-terminal (4T) tandem solar cell with a 20.8% efficiency-semitransparent perovskite module (SPM) with a series interconnection structure and a conventional passivated emitter and rear cell type crystalline silicon solar cell is independently confirmed. This is the independently confirmed record PCE of a 4T perovskite and crystalline silicon tandem solar cell with a structure having the same active area for both top and bottom cells. The impact of the luminescence coupling monitored by the silicon solar cell in the 4T tandem solar cell was investigated based on electrical properties of the top SPM analyzed by a simple one-diode equivalent circuit model. [ABSTRACT FROM AUTHOR]

Background: Middle size peptides (MSPs) have emerged as a promising new pharmaceutical modality. We are seeking the best way to assess the non-clinical safety of MSPs. Consideration: The requirements for assessing the genotoxicity of pharmaceuticals differ between small molecule drugs and biotherapeutics. Genotoxicity tests are necessary for small molecule drugs but not for biotherapeutics. MSPs, however, share similarities with both small molecule drugs and biotherapeutics. Here, we describe important points to consider in assessing the genotoxicity of MSP drugs. The current standard of genotoxicity assessment for small molecules may not be entirely appropriate for MSP drugs. MSP drugs need genotoxicity assessment mostly according to the current standard of small molecule drugs. Conclusion: We propose a few modifications to the standard test battery of genotoxicity tests, specifically, the inclusion of an in vitro gene mutation test using mammalian cells, and exclusion of (Q)SAR assessment on MSP-related impurities. [ABSTRACT FROM AUTHOR]

Background: For patients with Parkinson's disease (PwPD), promotion of habitual physical activity (PA) assists in the prevention of disease progression. Patients' health literacy (HL) is integral for meeting PA standards and turning it into a habit. This study evaluated the association between PA level and each HL domain in PwPD. Methods: Online web-based assessment instruments and self-administered questionnaires, including the PA Questionnaire (IPAQ) Short Form and the Functional, Communicative, and Critical Health Literacy (FCCHL) scale, were used to assess PA levels and health literacy domains of PwPD. Results: The mean age of PwPD (n = 114) was 65.9 (SD = 11.6) years; 59.6% female, and the mean duration of disease was 6.4 (SD = 5.1) years. Of participants, 47.4% met the recommended criteria for PA. When comparing each HL domain by PA level, participants with lower PA had significantly lower critical HL (p = 0.03). Logistic regression analysis revealed that PA level correlated with critical HL (OR = 2.46; 95% CI = 1.16–5.19; p = 0.02). Conclusions: Adherence to recommended PA standards was associated with critical HL, but not other HL domains. Proactive attitudes to critically evaluate and utilize as well as understand health information may positively influence the promotion of PA. [ABSTRACT FROM AUTHOR]

We investigated the directional properties and gain control of a pulsed call sequence that functions as a contact call in Pacific white-sided dolphins (Lagenorhynchus obliquidens). The pulsed call sequences were stereotyped patterns composed of three or more pulsed call elements and were collected from two dolphins, separated into adjacent pools, and allowed to swim freely. Eight hydrophones and an overhead camera were used to determine the positions and directions of the participants. The mean peak frequency and source levels were 8.4 ± 4.4 (standard deviation)–18.7 ± 12.7 kHz and 160.8 ± 3.8 to 176.4 ± 7.9 dB re 1 μPa (peak-to-peak), respectively, depending on the element types. The elements were omnidirectional, with mean directivity index of 0.9 ± 3.4 dB. The dolphins produced sequences, regardless of their relative position and direction to the lattice, leading to the adjacent pool where the conspecific was housed. They increased the amplitude by 6.5 ± 4.6 dB as the distance from the caller to an arbitrary point in the adjacent pool doubled. These results suggest that callers broadcast pulsed call sequences in a wide direction to reach dispersed conspecifics. However, they can adjust the acoustic active space by controlling the source levels. [ABSTRACT FROM AUTHOR]

Background: Clinical trials have reported the efficacy of immune checkpoint inhibitors in the treatment of mismatch repair-deficient (dMMR) advanced solid tumors. The accumulated evidence of tumor agnostic agent has been made since PD-1 inhibitor was approved and used in clinical practice. Therefore, we have revised the guideline "Japan Society of Clinical Oncology provisional clinical opinion for the diagnosis and use of immunotherapy in patients with deficient DNA mismatch repair tumors, cooperated by Japanese Society of Medical Oncology, First Edition". Methods: Clinical questions regarding medical care were formulated for patients with dMMR advanced solid tumors. Relevant publications were searched by PubMed and Cochrane Database. Critical publications and conference reports were added manually. Systematic reviews were performed for each clinical question for the purpose of developing clinical recommendations. The committee members identified by Japan Society of Clinical Oncology (JSCO), Japanese Society of Medical Oncology (JSMO), and Japanese society of pediatric hematology/oncology (JSPHO) voted to determine the level of each recommendation considering the strength of evidence, expected risks and benefits to patients, and other related factors. Thereafter, a peer review by experts nominated from JSCO, JSMO, and JSPHO and the public comments among all societies' members were done. Results: The current guideline describes two clinical questions and eight recommendations for whom, when, and how MMR status should be tested. Conclusion: In this guideline, the committee proposed eight recommendations for performing MMR testing properly to select patients who are likely to benefit from immunotherapy. [ABSTRACT FROM AUTHOR]

Several different types of density functional theory (DFT) exchange correlation functionals were applied to a periodic boundary condition (PBC) system [carbon monoxide (CO) adsorbed on Cu(111): CO/Cu(111)] and the differences in the results calculated using these functionals were compared. The exchange correlation functionals compared were those of Perdew–Burke–Ernzerhof (PBE) and those of long-range corrected density functional theory (LC-DFT), such as LC-ωPBE(2Gau) and LC-BLYP(2Gau). Solid state properties such as the partial density of states were calculated in order to elucidate the detailed adsorption mechanisms and back-bonding peculiar to the CO/Cu(111) system. In addition, our benchmark analysis of the correlations among the orbitals of CO and Cu metal using LC-DFT reasonably was in line with the experimentally observed adsorption site. The computation time was reasonable, and other numerical results were found to agree well with the experimental results and also with the theoretical results of other researchers. This suggests that the long-range Hartree–Fock exchange integral should be included to correctly predict the electronic nature of PBC systems. [ABSTRACT FROM AUTHOR]

This article discusses the use of carotid artery ultrasonography (CUS) for the diagnosis and monitoring of large vessel vasculitis (LVV) in a patient with systemic lupus erythematosus and Sjögren syndrome. The study found that CUS can provide additional information about intracranial main artery stenosis, which is also provoked by LVV activity. The authors suggest that when intracranial vascular stenosis is suspected, it should be evaluated with other modalities. The article also compares the effectiveness of CUS and magnetic resonance angiography (MRA) in detecting stenosis of intracranial large vessels, and concludes that CUS may be more sensitive than MRA in this regard. [Extracted from the article]

Obesity is a global health problem caused by genetic, environmental, and psychological factors and is associated with various health disorders. As such, there is a growing focus on the prevention of obesity and related diseases. The gut microbiota plays a crucial role in these diseases and has become a therapeutic target. Prebiotics, such as poly‐d‐3‐hydroxybutyric acid (PHB), have gained attention for their potential to alter the gut microbiota, promote beneficial bacterial growth, and alleviate obesity. In this study, we examined the prebiotic effects of PHB in obese mice. We found that, in C57BL/6N mice, PHB reduced blood lipid levels. Analysis of the intestinal microflora also revealed an increase in short‐chain fatty acid‐producing bacteria. When PHB was administered to obese mice, subcutaneous fat and dyslipidemia were reduced, and the number of beneficial bacteria in the intestinal microflora increased. Furthermore, fatty degradation and oxidative stress were suppressed in the liver. PHB regulates gut bacterial changes related to obesity and effectively inhibits dyslipidemia, suggesting that it could be a prebiotic agent for curing various obesity‐related diseases. In summary, PHB increases the beneficial gut microbiota, leading to an alleviation of obesity‐associated dyslipidemia. [ABSTRACT FROM AUTHOR]

A novel high step‐up DC‐DC converter suitable for the power interface of fuel cells (FC) is presented in this paper. The proposed converter features a multi‐resonant tank for achieving high‐step up ratio under zero current soft switching (ZCS) without any snubber circuits. The simple and minimized‐component topology is beneficial for megahertz driving of gallium nitride (GaN) power transistors with effective reductions of switching loss, electromagnetic emission interference (EMI) noise, and ripple‐free DC input current. Mode‐transitional power stages are described in detail, following that the high step‐up principle is revealed by means of frequency‐domain analysis. The essential performances of the proposed circuit topology are demonstrated by simulation and experiment of 1.8 MHz‐120W prototype whereby effectiveness of the snubberless and multi‐resonant topology are verified from the practical point of view. [ABSTRACT FROM AUTHOR]

Background: Early laparoscopic cholecystectomy (ELC) for acute cholecystitis (AC) poses multiple challenges. The Tokyo Guidelines 2018 (TG18) eliminated the time limit (< 72 h) and expanded the surgical indication to severe AC. This study aimed to evaluate the clinical outcomes of ELC for AC following the TG18 in a single high-volume center. Methods: From 2019 to 2021, we managed all AC patients with a TG18 flowchart and prospectively enrolled those who underwent ELC within 7 days of symptom onset. The primary outcome was overall morbidity, with a comparison between mild (Grade I) and moderate/severe (Grade II/III) AC. Results: During the study period, 201 patients underwent ELC was for Grade I (56.2%), II (40.3%), and III (3.5%) ACs. Mean age was 69 ± 15.2 years and time to surgery from symptom onset was 0 (12.9%), 1–3 (66.7%), and 4–7 days (20.4%). Mean operative time and blood loss were 118.9 ± 42.7 min and 57.8 ± 99.4 mL, respectively. The critical view of safety (CVS) was achieved in 76.1% of patients, and bailout procedures were performed in 21.4%. There were no open conversions or bile duct injuries. Major morbidities (Clavien–Dindo classification ≥ IIIa) were observed in 5.5% of cases and mortality in 0.5%. Comparing Grades II/III to Grade I, operative time was longer (112.3 vs. 127.3 min, p = 0.014), blood loss was higher (40.3 vs. 80.1 mL, p = 0.005), the CVS rate was lower (83.2 vs. 67.0%, p = 0.012), and the major morbidity rate was higher (1.8 vs. 10.2%, p = 0.012). In the subgroup analysis of Grade II/III, there were no significant differences in major morbidities (p = 0.288) between the two groups (0–3 vs. 4–7 days). Conclusion: ELC for AC following TG18 is feasible with low morbidity rates. However, ELC for Grade II/III ACs remains challenging, and surgeons must carefully assess intraoperative difficulties and surgical risks before proceeding. [ABSTRACT FROM AUTHOR]

The development of novel antitumor agents and accompanying biomarkers has improved survival across several tumor types. Previously, we developed recommendations for tumor-agnostic treatments in patients with solid tumors with DNA mismatch repair deficient or neurotrophic receptor tyrosine kinase fusions. Recently, immune checkpoint inhibitors have shown efficacy in patient with tumor mutation burden-high (TMB-H) solid tumors and have been established as a third tumor-agnostic agent, making it necessary to develop the guideline prioritized for these patients. Clinical questions regarding medical care were formulated for patients with TMB-H advanced solid tumors. Relevant publications were searched by PubMed and Cochrane Database. Critical publications and conference reports were added manually. Systematic reviews were performed for each clinical question for the purpose of developing clinical recommendations. The committee members identified by Japan Society of Clinical Oncology (JSCO), Japanese Society of Medical Oncology (JSMO), and Japanese society of pediatric hematology/oncology (JSPHO) voted to determine the level of each recommendation considering the strength of evidence, expected risks and benefits to patients, and other related factors. Thereafter, a peer review by experts nominated from JSCO, JSMO, and JSPHO, and the public comments among all societies' members was done. The current guideline describes three clinical questions and seven recommendations for whom, when, and how TMB should be tested, and what is recommended for patients with TMB-H advanced solid tumors. In this guideline, the committee proposed seven recommendations for performing TMB testing properly to select patients who are likely to benefit from immunotherapy. [ABSTRACT FROM AUTHOR]

A newly synthesized small molecule, KTT-1, exhibits kinetically selective inhibition of histone deacetylase 2, HDAC2, over its homologous enzyme, HDAC1. KTT-1 is hard to be released from the HDAC2/KTT-1 complex, compared to the HDAC1/KTT-1 complex and the residence time of KTT-1 in HDAC2 is longer than that in HDAC1. To explore the physical origin of this kinetic selectivity, we performed replica-exchange umbrella sampling molecular dynamics simulations for formation of both complexes. The calculated potentials of mean force suggest that KTT-1 is stably bound to HDAC2 and that it is easily disassociated from HDAC1. In the direct vicinity of the KTT-1 binding site in both enzymes, there exists a conserved loop consisting of four consecutive glycine residues (Gly304-307 for HDAC2; Gly299-302 for HDA1). The difference between the two enzymes comes from a single un-conserved residue behind this loop, namely, Ala268 in HDAC2 and Ser263 in HDAC1. The Ala268 contributes to the tight binding of KTT-1 to HDAC2 by the linear orientation of Ala268, Gly306, and one carbon atom in KTT-1. On the other hand, Ser263 cannot stabilize the binding of KTT-1 to HDAC1, because it is relatively further away from the glycine loop and because the directions of the two forces are not in line. [ABSTRACT FROM AUTHOR]

Background: Clinical trials have reported the efficacy of tropomyosin receptor kinase (TRK) inhibitors against neurotrophic receptor tyrosine kinase (NTRK) fusion gene-positive advanced solid tumors. The accumulated evidence of tumor-agnostic agent has made since TRK inhibitors were approved and used in clinical practice. Therefore, we have revised the 'Japan Society of Clinical Oncology (JSCO)/Japanese Society of Medical Oncology (JSMO)-led clinical recommendations on the diagnosis and use of tropomyosin receptor kinase inhibitors in adult and pediatric patients with neurotrophic receptor tyrosine kinase fusion-positive advanced solid tumors, cooperated by the Japanese Society of Pediatric Hematology/Oncology (JSPHO)'. Methods: Clinical questions regarding medical care were formulated for patients with NTRK fusion-positive advanced solid tumors. Relevant publications were searched by PubMed and Cochrane Database. Critical publications and conference reports were added manually. Systematic reviews were performed for each clinical question for the purpose of developing clinical recommendations. The committee members identified by JSCO, JSMO, and JSPHO voted to determine the level of each recommendation considering the strength of evidence, expected risks and benefits to patients, and other related factors. Thereafter, a peer review by experts nominated from JSCO, JSMO, and JSPHO, and the public comments among all societies' members was done. Results: The current guideline describes 3 clinical questions and 14 recommendations for whom, when, and how NTRK fusion should be tested, and what is recommended for patients with NTRK fusion-positive advanced solid tumors. Conclusion: The committee proposed 14 recommendations for performing NTRK testing properly to select patients who are likely to benefit from TRK inhibitors. [ABSTRACT FROM AUTHOR]

We consider two-loop corrections to 2 → 2 scattering processes with massive particles in the final state and massive particles in the loop. We discuss the combination of analytic expansions in the high-energy limit and for small Mandelstam variable t. For the example of double Higgs boson production we show that the whole phase space can be covered and time-consuming numerical integrations can be avoided. [ABSTRACT FROM AUTHOR]

It is becoming more important to subtract renormalons efficiently from perturbative calculations, in order to achieve high precision QCD calculations. We propose a new framework "Dual Space Approach" for renormalon separation, which enables subtraction of multiple renormalons simultaneously. Using a dual transform which suppresses infrared renormalons, we derive a one-parameter integral representation of a general observable. We investigate systematically how renormalons emerge and get canceled in the entire operator product expansion (OPE) of an observable, by applying the expansion-by-regions (EBR) method to this one-parameter integral expression. In particular we investigate in detail OPEs in a solvable model, the 2-dimensional O(N) nonlinear σ model, by the dual space approach. A nontrivial mechanism of renormalon cancellation in this model can be understood from an integration identity on which the EBR method is founded. We demonstrate that the dual space approach can be useful by a simulation study imitating the QCD case. Application of this method to QCD calculations is also discussed. [ABSTRACT FROM AUTHOR]

Nutrient limitations have often caused the evolution of mechanisms for efficient nutrient acquisition. The mouthparts of adult dung beetles efficiently acquire nutrients from a fiber-rich diet. Conversely, primitive mouthparts force larvae to survive on a low-quality diet despite experiencing the most demanding growth stages. In this study, we investigated the nutritional conditions and microbial community of the larval diet through the nesting behavior of the dung beetle Copris acutidens. We revealed that diet quality (C/N ratio) increased during the process of making the brood ball, irrespective of dung type. The sequencing of the bacterial community based on a partial 16S rRNA gene and the fungal community that targeted ITS2 region revealed that the fungal community in the female gut was the closest to the larval diet, whereas the bacterial community was not. The proportion of fungal Trichosporonaceae tended to increase with a decreasing C/N ratio irrespective of dung type and was alive in the larval gut. We suggest that Trichosporonaceae is a gut symbiont of both the adult female and larvae of C. acutidens, which is transmitted to the dung mass and then to larval gut through the brood ball, and that females have evolved the extra effort processes in their nesting behavior to compensate for larval diet quality, which is likely associated with symbiont fungi within the family Trichosporonaceae. [ABSTRACT FROM AUTHOR]

Purpose: To examine whether differences in bone resorption patterns in the anterior portion of the femoral head correlate with the prognosis of Legg–Calvé–Perthes disease. Methods: Seventy-eight patients with unilateral Legg–Calvé–Perthes disease, who were diagnosed after 6.0 years of age, underwent the Salter innominate osteotomy from 1987 to 2013, and were followed up to skeletal maturity. The anterior bone resorption pattern of the femoral head was evaluated from a frog-leg lateral hip radiograph made in the middle of the fragmentation period, and classified into two types, an epiphysis-preserved type (P) and a physis-disrupted type (D). The correlation between the type of bone resorption and the Stulberg outcome was analyzed. Results: The Stulberg outcomes were grade I for 9 patients, grade II for 31, grade III for 35, and grade IV for 3, with a mean follow-up period of 8.3 ± 2.7 years. Fifty-one patients demonstrated the type P hips and 27 did the type D hip. In a subset analysis of patients with the modified lateral pillar group-B hips in the younger group (6.0–8.9 years of age at diagnosis), the percentages of the favorable and unfavorable outcomes significantly differed between the two types (p = 0.013). Anteroposterior enlargement of the affected femoral head was significantly greater in the type D hips than the type P hips (p = 0.014). Conclusion: Unfavorable hip morphology at skeletal maturity can be predicted in patients with the lateral pillar group-B hips by focusing on bone resorption patterns of the anterior portion of the femoral head. Level of evidence: Level III, prognostic study. [ABSTRACT FROM AUTHOR]

Applying a simple harmonic map method to the cylindrically symmetric Einstein-Maxwell system, we obtain exact solutions representing strong nonlinear interaction between gravitational waves and electromagnetic waves in the case without any background field. As an interesting fact, we can show that with adjusted parameters the solution represents occurrences of large conversion phenomena in the intense region of fields near the cylindrically symmetric axis. [ABSTRACT FROM AUTHOR]

Although fungi can have a large impact on host health through the stimulation of the immune system and toxin production, few studies have investigated the gut mycobiota during infancy, a period during which sensitivity to internal and external stimuli is high. To capture the trend in fungal colonization during infancy, we evaluated the gut mycobiota of ten Japanese infants during the first 3 years of life. Infants had two major phyla, Ascomycota (68.9%) and Basidiomycota (29.6%), and the most abundant genus was Saccharomyces (26.8%), followed by Malassezia (18.5%), Candida (12.3%), Meyerozyma (8.5%), and Penicillium (8.3%). Alpha diversity analysis revealed a significant decrease in fungal richness and evenness with age, suggesting adaptive selection of the colonizing species in the gut environment. Beta diversity analysis divided infant mycobiota into age-related clusters and showed discrete separation before and after weaning, suggesting shift in microenvironment via weaning. In the initial stage, a variety of fungal species that likely originated from an environment, such as Malassezia spp. , was highly colonized and were replaced by yeasts, such as Saccharomyces , after weaning. Further studies are needed to shed light on how the passage of the series of fungal colonizations in infancy affects the development of the host immune system and the other homeostasis involved in health later in life. [Display omitted] • Diversity of colonizing fungi is decreasing with age in infancy. • Yeast-dominant mycobiota is eventually established while mold species decrease with age. • The infant gut mycobiota differentiates via weaning. [ABSTRACT FROM AUTHOR]

Background: Typical Lemierre's syndrome is usually secondary to an oropharyngeal infection. Recently, several cases following a primary infection site other than the oropharynx have been reported as atypical Lemierre's syndrome; although, these primary lesions are limited to the head and neck. This is the first case potentially sequential to infectious foci outside the head and neck. Case presentation: We describe an atypical Lemierre's syndrome in a 72-year-old woman with rheumatoid arthritis, which occurred during the treatment of Streptococcus anginosus bacteremia acquired from a sacral ulcer infection related to rheumatoid vasculitis. At first, the symptoms resolved after the initial administration of vancomycin for the bacteremia caused by methicillin-resistant Staphylococcus aureus and Streptococcus anginosus that entered via a sacral ulcer. On the 8th day, the patient developed a fever of 40 °C and unexpectedly required 10 L of oxygen due to rapid deterioration of oxygenation temporarily. Immediately contrast-enhanced computed tomography was performed to investigate systemic thrombosis including pulmonary embolism. Afterward, the newly formed thrombi at the right external jugular vein, bilateral internal jugular veins, and the right small saphenous vein were detected, and apixaban was started. On the 9th day, the patient again had an intermittent fever of 39.7 °C, and continuous Streptococcus anginosus bacteremia was revealed; subsequently, clindamycin was administered. On the 10th day, she developed a left hemothorax; consequently, apixaban was discontinued, and a thoracic drain was inserted. She repeatedly had an intermittent fever of 40.3 °C, and contrast-enhanced computed tomography detected an abscess formation at the left parotid gland, pterygoid muscle group, and masseter muscle. After Lemierre's syndrome was diagnosed in combination with the abovementioned jugular vein thrombus, clindamycin was replaced with meropenem, and vancomycin was increased. Swelling of the lower part of the left ear became prominent with delay and peaked at approximately the 16th day. The subsequent treatment course was favorable, and she was discharged on the 41st day. Conclusion: Clinicians should consider Lemierre's syndrome as the differential diagnosis of internal jugular vein thrombosis occurring during sepsis, even though an antibiotic is administered or a primary infection site is anything besides the oropharynx. [ABSTRACT FROM AUTHOR]

Purpose: The present study aimed to evaluate the effect of chia flour associated with a high fat diet on intestinal health in female ovariectomized Wistar rats. Methods: The study was conducted with 32 adult female ovariectomized Wistar rats, which were separated into four groups: standard diet (ST), standard diet with chia (STC), high fat diet (HF) and high fat diet with chia (HFC) for 18 weeks. Cecum content pH, short chain fatty acid content, brush border membrane functionality and morphology and the gut microbiota were evaluated. Results: This study demonstrated that the consumption of chia flour increased the production of acetic and butyric acids, the longitudinal and circular muscle layers and crypt thickness. It also improved the expression of aminopeptidase (AP) and sucrose-isomaltase (SI) and decreased the cecum content pH. Further, the consumption of chia improved richness and decreased diversity of the microbiota. Operational Taxonomic Units (OTUs) clustering indicated difference between the ST and STC groups. In the linear discriminant analysis effect size (LEfSe) analysis, the Bacteroides genus and members of the Muribaculaceae and Lachnospiraceae families were enriched in the STC treatment group. The STC group demonstrated the enrichment of Kyoto Encyclopedia of Genes and Genomes (KEGG) metabolic pathways related to peptidoglycan and coenzyme A biosynthesis. Conclusion: Our results suggest that chia flour, which is rich in dietary fiber and phenolic compounds, presented potential properties to improve intestinal health. [ABSTRACT FROM AUTHOR]

Sense of agency (SoA) refers to the subjective feeling of controlling one's own actions and sensory feedback. The SoA occurs when the predicted feedback matches the actual sensory feedback and is responsible for maintaining behavioral comfort. However, sensorimotor deficits because of illness cause incongruence between prediction and feedback, so the patient loses comfort during actions. Discomfort with actions associated with incongruence may continue robustly (i.e., "not" adaptable) throughout life because of the aftereffects of the disease. However, it is unclear how the SoA modulates when incongruency is experienced, even for a short term. The purpose of this study was to investigate the adaptability of the SoA in healthy participants in sensorimotor tasks for a short term. Participants were divided into congruent and incongruent exposure groups. The experimental task of manipulating the ratio of the self-control of a PC cursor was used to measure the SoA before and after exposure to congruent or incongruent stimuli. The results showed no significant differences between the groups before and after exposure for a short term. The finding that the SoA was not adaptable may assist in guiding the direction of future studies on how to correct incongruence. [ABSTRACT FROM AUTHOR]

To investigate the incidence and risk factors of small-for-gestational age (SGA) short stature at 2 and 3 years of age in SGA offspring born to women with hypertensive disorders of pregnancy (HDP). We examined 226 women with HDP whose respective SGA offspring were delivered. Eighty offspring (41.2%) were diagnosed with SGA short stature. The prematurity before 32 weeks of gestation was the most significant factor for catch-up growth failure. In SGA offspring born to women with HDP, SGA short stature incidence was high, and the risk factor was prematurity before 32 weeks of gestation. [ABSTRACT FROM AUTHOR]

In hydrogen energy systems, the polymer electrolyte fuel cell (PEFC) is an important component. The purpose of this study is to clarify the effect of separator thickness (s.t.) in PEFC on the distributions of mass such as H2, O2, H2O and current density when PEFC is operated at 363 K and 373 K. The relative humidity (RH) of supply gases also impacts the operation. The numerical simulation (using a 3D model) with COMSOL Multiphysics has been conducted to analyze the characteristics of PEFC. It has been observed that the molar concentration of H2 using s.t. of 2.0 mm is smaller compared with the thinner s.t. cases at the initial operation temperature of a cell (Tini) = 363 K and 373 K. The molar concentration of O2 using s.t. of 2.0 mm is smaller compared with the thinner s.t. cases at Tini = 373 K, as well as the case for the RH of supply gases at the anode of 40%RH and cathode of 40%RH (A40%RH/C40%RH) irrespective of Tini. Additionally, it has been clarified that the molar concentration of H2O maintains a low value along with the gas channel at Tini = 373 K using s.t. of 1.5 mm and 1.0 mm. Moreover, it has been clarified that the current density using s.t. of 2.0 mm is the highest among the different s.t. irrespective of Tini, which is the most remarkable in the case of A40%RH&C40%RH. [ABSTRACT FROM AUTHOR]

Inflammatory bowel disease (IBD) is a chronic persistent intestinal disorder, with ulcerative colitis and Crohn's disease being the most common. However, the physio‐pathological development of IBD is still unknown. Therefore, research on the etiology and treatment of IBD has been conducted using a variety of approaches. Short‐chain fatty acids such as 3‐hydroxybutyrate (3‐HB) are known to have various physiological activities. In particular, the production of 3‐HB by the intestinal microflora is associated with the suppression of various inflammatory diseases. In this study, we investigated whether poly‐D‐3‐hydroxybutyric acid (PHB), a polyester of 3‐HB, is degraded by intestinal microbiota and works as a slow‐release agent of 3‐HB. Further, we examined whether PHB suppresses the pathogenesis of IBD models. As long as a PHB diet increased 3‐HB concentrations in the feces and blood, PHB suppressed weight loss and histological inflammation in a dextran sulfate sodium‐induced IBD model. Furthermore, PHB increased the accumulation of regulatory T cells in the rectum without affecting T cells in the spleen. These results indicate that PHB has potential applications in treating diseases related to the intestinal microbiota as a sustained 3‐HB donor. We show for the first time that biodegradable polyester exhibits intestinal bacteria‐mediated bioactivity toward IBD. The use of bioplastics, which are essential materials for sustainable social development, represents a novel approach to diseases related to dysbiosis, including IBD. [ABSTRACT FROM AUTHOR]

Thematic Analysis is one of several possibilities for analyzing qualitative data. The reflection carried out in this study is an unprecedented contribution to the effectiveness of Thematic Analysis, especially by researchers in the beginning of qualitative research. The proposed Thematic Analysis is guided by seven stages, the first three being preliminary or approaching the phenomenon. The steps suggested for analysis include: data collection, literal transcription of the data, environment with the data (familiarize), accommodation of the data in an analysis instrument (accommodation of the fragments of the speech), identification of context units, nuclei of meaning and themes. Performed in this way, it may facilitate the journey of the novice researcher. The implementation of the reasoning proposed in this study may facilitate and assist the researcher in conducting paths that make the submission of qualitative data to Thematic Analysis simpler and more practical. [ABSTRACT FROM AUTHOR]

The Wino is an SU(2)L triplet Majorana fermion and a well-motivated dark matter candidate. The mass difference between the charged and the neutral Winos is small thanks to the SU(2)L symmetry. The small mass difference makes the charged Wino metastable, which provides disappearing charged track signatures at collider experiments. The constraint on the Wino dark matter at the LHC strongly depends on the Wino lifetime. We compute the next-to-leading order (NLO) correction of the charged Wino decay and make the most precise estimate of the decay rate. We find that the NLO decay rate is determined by the mass difference and scarcely depend on the Wino mass itself in the heavy Wino limit. As a result, we find the NLO correction gives a minor impact on the lifetime of 2–4% increase. [ABSTRACT FROM AUTHOR]

This study measures the relative preference for attributes of device-aided therapies (DATs) for advanced Parkinson's Disease (PD) from the perspective of Japanese neurologists. Attributes and levels were elicited based on literature and interviews with certified neurologists experienced with DATs. An online survey including a discrete choice experiment (DCE) was developed, pilot tested, and distributed through an online panel to neurologists treating advanced PD patients. Participants were asked to choose treatments among several choice sets of two hypothetical DATs described only by the attributes, or no DAT (continuing oral treatment). A conditional logit model using the Bayesian framework was developed to estimate the marginal utilities of attributes' levels, and the relative utility of treatments available to Japanese advanced PD patients or being developed in Japan was assessed. The DCE survey completed by 308 neurologists showed that the attributes with the greatest influence on DAT selection were surgery requirement (relative importance of 28%), average increase in the duration of daily "on" time without dyskinesia which affects daily activities (15%), average change in cognitive function related to treatment introduction (15%), device management frequency (14%), average number of pills of oral PD medication after treatment introduction (13%), average influence of treatment on symptoms of depression (12%), and type of device (large/small) (3%). All attributes significantly influenced respondents' choices, except for external device type. Experience with DATs did not influence the directions of preferences. Out of treatment profiles representing DATs, continuous subcutaneous infusion of levodopa-carbidopa had a higher preference score than levodopa-carbidopa intestinal gel infusion and deep brain stimulation. Our findings suggest that Japanese neurologists would prefer a DAT without surgery requirement. Other factors related to efficacy, safety, and administration mode have a significant, but a smaller influence on prescription choices. [ABSTRACT FROM AUTHOR]

• In silico structural modeling suggested that ozoralizumab (OZR) can simultaneously bind to TNFα trimer and HSA. • OZR showed potent TNFα-neutralizing activity by bivalently binding to TNFα trimer in the presence of excess amount of HSA. • OZR had long plasma half-life by utilizing recycling of HSA via FcRn by binding to HSA with anti-HSA NANOBODY® molecule. [ABSTRACT FROM AUTHOR]

• The coordination states of Ln(III), (Ln = Pr, Nd, Tb and Dy) in ILs were investigated by Raman spectroscopy. • The thermodynamic properties for the isomerism of [TFSA]− from trans- to cis- isomer were evaluated. • The cis -[TFSA]− conformer bound to Ln3+ cation was the preferred coordination state of [Ln(III)(cis -TFSA) 5 ]2−. • The bonding energies of [Ln(III)(cis -TFSA) 5 ]2−, (Ln = Pr, Nd, Tb and Dy) were estimated from ADF. • HOMO and LUMO of [Ln(III)(cis -TFSA) 5 ]2−, (Ln = Pr, Nd, Tb and Dy) were estimated from DFT calculations. The coordination states of trivalent praseodymium, neodymium, terbium, and dysprosium complexes in triethyl- n -octylphosphonium bis(trifluoromethylsulfonyl)amide ([P 2228 ][TFSA]) ionic liquid were examined using Raman spectroscopy. In [P 2228 ][TFSA], the concentration dependence of lanthanide (Ln) ions on the Raman spectrum was investigated in the range of 0.24–0.48 mol kg−1 of Ln(III), (Ln = Pr, Nd, Tb, and Dy) in [P 2228 ][TFSA]. Based on classical analysis, solvation numbers n of Ln(III) (Ln = Pr, Nd, Tb, and Dy) in [P 2228 ][TFSA] were determined as 4.80 ± 0.04, 5.08 ± 0.03, 5.15 ± 0.04, and 4.92 ± 0.03, respectively, at 373 K. Based on the temperature dependence of the Raman spectrum measured at temperatures between 298 and 398 K, thermodynamic parameters with Δ iso G , Δ iso H , and Δ iso S for the isomerism of [TFSA]− from the trans- to the cis- coordinated isomer in the bulk and first solvation sphere of the centered Ln3+ (Ln = Pr, Nd, Tb, and Dy) cation in [P 2228 ][TFSA] were evaluated in this study. As indicated by the positive value of Δ iso H (bulk) = 6.86 kJ mol−1, the trans -[TFSA]− was found to be the dominant contributor to enthalpy. In [P 2228 ][TFSA], the value of TΔ iso S (bulk) = 7.92 kJ mol−1 was slightly larger than that of Δ iso H (bulk), indicating that cis -[TFSA]− was entropy controlled. Conversely, in the first solvation sphere of the Ln3+ cation, Δ iso H (Ln) became significantly negative, indicating stabilization of cis -[TFSA]− isomers via enthalpic contributions. This result clearly indicates that the cis -[TFSA]− conformer bound to Ln3+ cation is the preferred coordination state of [Ln(III)(cis –TFSA) 5 ]2− in [P 2228 ][TFSA], because Δ iso H (Ln) contributes to a significant decrease in Δ iso G (Ln). Furthermore, DFT calculations using the Amsterdam Density Functional package were used to investigate the optimized geometries and binding energies of [Ln(III)(cis -TFSA) 5 ]2−, (Ln = Pr, Nd, Tb, and Dy) clusters. The bonding energy, Δ E b , was calculated as Δ E b = E tot (cluster) − E tot (Ln3+) − nE tot ([TFSA]−), and Δ E b ([Ln(III)(cis- TFSA) 5 ]2−), (Ln = Pr, Nd, Tb, and Dy) were calculated as −4349.2 ± 7.2, −4354.6 ± 7.6, −4278.6 ± 7.2, and −4296.4 ± 7.8 kJ mol−1, respectively. The thermodynamic properties were consistent with the average atomic charges and bond distances of these clusters. Additionally, the highest occupied molecular orbital and lowest unoccupied molecular orbital estimated from DFT methods were consistent with the coordination states of [Ln(III)(cis -TFSA) 5 ]2−, (Ln = Pr, Nd, Tb, and Dy) analyzed by Raman spectroscopy. [ABSTRACT FROM AUTHOR]

Prussian blue analogs (PBAs) have been reported as promising ammonia (NH3) adsorbents with a high capacity compared to activated carbon, zeolite, and ion exchange resins. The adsorbed NH3 was desorbed by heating and washing with water or acid. Recently, we demonstrated that desorption was also possible by washing with a saturated ammonium hydrogen carbonate solution (sat. NH4HCO3aq) and recovered NH3 as an NH4HCO3 solid by introducing CO2 into the washing liquid after desorption. However, this has only been proven for copper ferrocyanide and the relationship between the adsorption/desorption behavior and metal ions in PBAs has not been identified. In this study, we investigated the adsorption/desorption behavior of PBAs that are complexes of first row transition metals with hexacyanometalate anions. Six types of PBAs were tested in this study and copper ferricyanide exhibited the highest desorption/adsorption ratio. X-ray diffraction results revealed high structural stability for cobalt hexacyanocobaltate (CoHCC) and nickel ferricyanide (NiHCF). The Fourier transform infrared spectroscopy results showed that the NH3 adsorbed on the vacancy sites tended to desorb compared to the NH3 adsorbed on the interstitial sites as ammonium ions. Interestingly, the desorption/adsorption ratio exhibited the Irving-Williams order. [ABSTRACT FROM AUTHOR]