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Background: The aim of the present study was to compare the outcomes of pediatric LT with left liver grafts, obtained either from a living donor (LD) or a split deceased donor (sDD). Methods: Retrospective single‐center study from 2002 to 2022. All pediatric LT with left liver grafts (not including middle hepatic vein) from LD or sDD were included. Reduced grafts were not included. Results: A total of 112 pediatric LT were performed: 58 with LD grafts and 54 with sDD grafts (17 split ex situ and 37 in situ). Donor characteristics were similar, apart from donor age (33 years in LD vs. 30 years in sDD, p = 0.03). Indications were similar with 55% biliary atresia in each group. Retransplantation was more frequently performed in the sDD group (2% vs. 15%, p = 0.01). Recipient age, weight, and PELD score at transplant were not significantly different between groups. Cold ischemia time was longer for sDD (158 min in LD vs. 390 min in sDD; p < 0.0001). Posttransplant peak ALT was higher with sDD grafts (1470 vs. 1063, p = 0.018), and hospital stay was longer with sDD grafts (27 vs. 21 days, p = 0.005). However, there was no difference between groups in terms of major morbidity (Dindo‐Clavien grade ≥3), vascular and biliary complications, and 90‐day mortality. Patient survival at 10 years was 93.1% for LD and 92.8% for sDD (p = 0.807). Graft survival at 10 years was 89.7% for LD and 83.1% for sDD (p = 0.813). Conclusions: Technically similar LD and sDD grafts achieve very similar postoperative and long‐term outcomes with excellent patient and graft survival. [ABSTRACT FROM AUTHOR]

Background: Despite the overall safety and efficacy of COVID‐19 vaccinations, rare cases of systemic autoimmune diseases (SAIDs) have been reported post‐vaccination. This study used a global survey to analyze SAIDs in susceptible individuals' post‐vaccination. Methods: A cross‐sectional study was conducted among participants with self‐reported new‐onset SAIDs using the COVID‐19 Vaccination in Autoimmune Diseases (COVAD) 2 study dataset—a validated, patient‐reported e‐survey—to analyze the long‐term safety of COVID‐19 vaccines. Baseline characteristics of patients with new‐onset SAIDs and vaccinated healthy controls (HCs) were compared after propensity score matching based on age and sex in a 1:4 ratio. Results: Of 16 750 individuals, 74 (median age 52 years, 79.9% females, and 76.7% Caucasians) had new‐onset SAID post‐vaccination, mainly idiopathic inflammatory myopathies (IIMs) (n = 23, 31.51%), arthritis (n = 15; 20.53%), and polymyalgia rheumatica (PMR) (n = 12, 16.40%). Higher odds of new‐onset SAIDs were noted among Caucasians (OR = 5.3; 95% CI = 2.9–9.7; p <.001) and Moderna vaccine recipients (OR = 2.7; 95% CI = 1.3–5.3; p =.004). New‐onset SAIDs were associated with AID multimorbidity (OR = 1.4; 95% CI = 1.1–1.7; p <.001), mental health disorders (OR = 1.6; 95% CI = 1.3–1.9; p <.001), and mixed race (OR = 2.2; 95% CI = 1.2–4.2; p =.010), where those aged >60 years (OR = 0.6; 95% CI = 0.4–0.8; p =.007) and from high/medium human development index (HDI) countries (compared to very high HDI) reported fewer events than HCs. Conclusion: This study reports a low occurrence of new‐onset SAIDs following COVID‐19 vaccination, primarily IIMs, PMR, and inflammatory arthritis. Identified risk factors included pre‐existing AID multimorbidity, mental health diseases, and mixed race. Revaccination was well tolerated by most patients; therefore, we recommend continuing COVID‐19 vaccination in the general population. However, long‐term studies are needed to understand the autoimmune phenomena arising post‐vaccination. [ABSTRACT FROM AUTHOR]

Intravenous (IV) drug administration enables treatment of epilepsy when oral administration is temporarily not feasible. Perampanel is a once‐daily antiseizure medication currently available as oral formulations. Study 050 (NCT03376997) was an open‐label, randomized, single‐dose, crossover study to evaluate the interchangeability of oral and IV perampanel in healthy subjects (N = 48). Bioequivalence of single 12‐mg doses of IV (30‐, 60‐, or 90‐minute infusion) and oral perampanel, ≥6 weeks apart, was assessed. Analyses indicated bioequivalence of area under the plasma concentration–time curve extrapolated to infinity for 30‐ and 60‐minute IV infusions and oral perampanel doses (geometric mean ratio [90% confidence interval], 0.93 [0.84–1.02] and 1.03 [0.97–1.09], respectively); however, IV maximum observed drug concentration (Cmax) values were 1.35‐ to 1.61‐fold higher than Cmax. Simulated plasma concentration–time profiles using pooled pharmacokinetic data further supported oral and IV perampanel interchangeability in two scenarios: 12‐mg per day IV dosing during a temporary 7‐day switch from oral steady‐state maintenance therapy, and treatment initiation with 2‐mg perampanel. Thirty‐four (70.8%) subjects experienced treatment‐related adverse events. The IV perampanel safety profile was similar to that of oral perampanel without new safety concerns. Perampanel IV infusions may be a suitable temporary alternative to oral perampanel for treatment maintenance and/or initiation. [ABSTRACT FROM AUTHOR]

Background: Domino liver transplantation aims to address the need to increase the liver donor supply. In a domino liver transplant, the domino recipient receives the explanted liver from the recipient of a traditional liver transplant. The domino donor typically requires liver transplant to correct a metabolic disorder; the explanted liver thus has a single gene defect but otherwise normal structure and function. Methods: In this review, we detail the history of domino liver transplantation, appropriate domino donor indications, the technical advances to the surgical approach, current outcomes, and future opportunities. Results: Development of de novo disease in the domino recipient has relegated adult domino liver transplant to be considered a source of marginal donor livers. However, pediatric domino liver transplant has leveraged certain metabolic disorders, especially maple syrup urine disease, in which the liver enzyme deficiency can be compensated by the systemic presence of sufficient enzyme. Advances in the surgical aspects of assuring adequate length of vasculature have improved the safety of the procedure in both domino donors and recipients. Conclusions: Pediatric domino liver transplant utilizing domino donors with specific metabolic liver diseases should be considered a viable live donor option for children awaiting liver transplant. [ABSTRACT FROM AUTHOR]

Background: E2814 is a human IgG1 antibody that binds to microtubule binding region of tau (MTBR‐tau), a critical domain for the seeding and spreading of tau pathology in Alzheimer's Disease (AD). It is being developed for the treatment of AD by stopping tau propagation and slowing the associated cognitive decline. E2814 has been evaluated in healthy and Dominantly Inherited Alzheimer's Disease (DIAD) participants for safety, pharmacokinetics (PK), and cerebrospinal fluid (CSF) target engagement. Method: Seventy‐two healthy participants were enrolled in single and multiple ascending dose cohorts of Study 001 (NCT04231513) and received randomized, double‐blind, placebo‐controlled treatment of E2814. Intravenous infusion of single and multiple doses (once every 4 weeks for three times) were administered. In Study 103 (NCT04971733), 7 DIAD participants with confirmed mutations and mild to moderate cognitive impairment were enrolled and received open‐label treatment of E2814. Four sequential doses were evaluated as intravenous infusion every 4 weeks. Serum and CSF PK, and CSF target engagement (by analyzing both bound and unbound MTBR‐tau299 and MTBR‐tau354 [containing the epitopes of E2814]) were measured in both healthy and DIAD participants, as well as safety assessments. CSF MTBR‐tau243 recapitulating AD tau pathology was also measured in DIAD participants using methods previously described (Horie et al., J Prev Alz Dis 2022). Result: E2814 was safe and well‐tolerated over a wide dose range. No infusion‐related reactions or other clinically significant safety signals were observed with single or repeated dose administration for up to 15 months. E2814 showed a dose‐related increase in serum and CSF exposure with CSF‐to‐serum ratio of ∼0.2%, comparable between healthy and DIAD participants. CSF target engagement was demonstrated by concentration‐related and sustained MTBR‐tau299 and MTBR‐tau354 binding in healthy and DIAD participants. More importantly, E2814 elicited a rapid and robust reduction on MTBR‐tau243, a neurofibrillary tangle‐specific biomarker, in DIAD participants. Conclusion: E2814 demonstrated promising safety, PK and CSF target engagement profile in DIAD participants, and showed evidence of downstream effects on tangle‐specific biomarker MTBR‐tau243. Data supports further evaluation in the ongoing Ph2/3 DIAN‐TU Tau NexGen Platform Study in DIAD (NCT05269394) and future exploration in sporadic AD. [ABSTRACT FROM AUTHOR]

Background: E2814 is an anti‐tau therapeutic monoclonal antibody (mAb) which is being developed as a potential disease‐modifying therapy for Alzheimer's disease (AD). E2814 inhibits the propagation of pathological tau species by binding to the microtubule binding region (MTBR). This study evaluated safety, pharmacokinetics (PK), and immunogenicity of single and multiple doses of E2814. Methods: This randomized, placebo‐controlled study evaluated 5 single ascending doses (SAD) and 4 multiple ascending doses (MAD) in healthy subjects. Subjects (n = 8/cohort) received single or multiple (every 4 weeks) 1‐hour IV infusions of E2814 (or placebo). Safety was evaluated through a review of adverse events (AE), clinical laboratory test results, physical examination, electrocardiogram results, and vital signs. Serial blood and CSF samples for measurement of serum and CSF E2814 concentrations by a validated electrochemiluminescence (ECL) assay were obtained at prespecified time‐points. The serum PK parameters were estimated using non‐compartmental analysis. Anti‐drug antibodies (ADA) in serum were measured by a validated ECL assay. Results: E2814 has an adequate single and multiple dose safety profile. No treatment‐emergent serious AEs, severe AEs, infusion‐related reactions, or dose limiting events were observed. There was a dose‐related increase in serum and CSF E2814 exposures. The median time to maximum E2814 concentrations in serum was 1.5 to 2 h. The half‐life of E2814 was 23 days which is typical of mAb. In SAD, serum AUC and Cmax were approximately dose proportional at lower doses and greater than dose‐proportional at higher doses. In MAD, accumulation based on Cmax and AUC was ∼1.2 and 1.3‐fold, respectively by the third dose in all dose group. The serum‐to‐CSF concentration ratio ranged between 0.1 to 0.3%. The immunogenicity to E2814 was low. In SAD, 5 subjects had transient low level ADA titers by last study day. In MAD, 1 subject had a confirmatory positive ADA at baseline prior to dose on Day 1. PK in the ADA positive subjects was comparable to that of ADA negative subjects. Conclusion: E2814 presented an adequate safety and immunogenicity profile in healthy adults. E2814 PK was comparable to that with other mAbs. These results support further development of E2814 as a potential disease‐modifying therapy for AD. [ABSTRACT FROM AUTHOR]

Background and Aim: Endoscopist directed nurse administered propofol sedation (EDNAPS) is widely considered to be safe and efficient, but there are limited data from the Australian health‐care setting, and Australian sedation guidelines do not support the practice. Thus, we report data from a prospective audit of EDNAPS over a 6.5‐year period in an Australian referral hospital. Methods: Consecutive endoscopic procedures performed between January 2013 and June 2019. Sedation protocol was an initial dose of midazolam 1–3 mg intravenously (i.v.) and propofol 10–50 mg i.v.. Further aliquots of propofol 10–30 mg i.v. were given as required. ProvationMD® endoscopic reporting system was used to prospectively record patient demographics, medication and dose, American Society of Anesthesiologist's (ASA) class, and sedation‐related complications. Results: During the 78‐month period, 28 051 eligible procedures were performed; 3093 procedures performed with anesthetic support or without EDNAPS were excluded. In total, 24 958 procedures with EDNAPS were analyzed including 7563 gastroscopies, 12 941 colonoscopies, 2932 gastroscopy and colonoscopy, 1440 flexible sigmoidoscopies, and 82 combined gastroscopy and flexible sigmoidoscopy. Of these, 9539 were ASA 1 (38.2%), 13 680 were ASA 2 (54.8%), 1733 were ASA 3 (6.9%), and 4 were ASA 4 (0.02%). Sedation‐related complications occurred in 66 patients (0.26%), predominantly transient hypoxic episodes. No patient required intubation for an airway emergency, and there was no sedation‐related mortality. Sedation‐related complications increased with ASA class and were significantly more common with gastroscopy. Conclusions: Endoscopist directed nurse administered propofol sedation is a safe way of performing endoscopic sedation in low‐risk patients in the hospital setting. [ABSTRACT FROM AUTHOR]

Aims: Avatrombopag, a thrombopoietin receptor agonist, is a substrate of cytochrome P450 (CYP) 2C9 and CYP3A. We assessed three drug–drug interactions of avatrombopag as a victim with dual or selective CYP2C9/3A inhibitors and inducers. Methods: This was a three‐part, open‐label study. Forty‐eight healthy subjects received single 20 mg doses of avatrombopag alone or with one of 3 CYP2C9/3A inhibitors or inducers: fluconazole 400 mg once daily for 16 days, itraconazole 200 mg twice daily on Day 1 and 200 mg once daily on Days 2–16, or rifampicin 600 mg once daily for 16 days. Pharmacokinetics, pharmacodynamics (platelet count) and safety of avatrombopag were evaluated. Results: Coadministration of a single 20‐mg dose of avatrombopag with fluconazole at steady‐state resulted in 2.16‐fold increase of AUC of avatrombopag, prolonged terminal elimination phase half‐life (from 19.7 h to 39.9 h) and led to a clinically significant increase in maximum platelet count (1.66‐fold). Itraconazole had a mild increase on both avatrombopag pharmacokinetics and pharmacodynamics compared to fluconazole. Coadministration of rifampicin caused a 0.5‐fold decrease in AUC and shortened terminal elimination phase half‐life (from 20.3 h to 9.84 h), but has no impact on maximum platelet count. Coadministration with interacting drugs was found to be generally safe and well‐tolerated. Conclusions: The results from coadministration of fluconazole or itraconazole suggest that CYP2C9 plays a more predominant role in metabolic clearance of avatrombopag than CYP3A. To achieve comparable platelet count increases when avatrombopag is coadministered with CYP3A and CYP2C9 inhibitors, an adjustment in the dose or duration of treatment is recommended, while coadministration with strong inducers is not currently recommended. [ABSTRACT FROM AUTHOR]

Background: Lecanemab is a humanized IgG1 monoclonal antibody that preferentially targets soluble aggregated Aβ species (protofibrils) with activity at insoluble fibrils. A subcutaneous (SC) formulation is in development as an alternative to intravenous (IV) infusion. The present study evaluated the absolute bioavailability (BA), pharmacokinetics (PK), safety and immunogenicity of lecanemab following a single fixed 700 mg SC dose. Methods: This was an open‐label, parallel‐group study conducted in healthy subjects that were randomized into IV or SC dose group; 5 Japanese subjects were randomized to the SC dose group. Serum samples for determination of lecanemab PK parameters were collected after single dose of 10 mg/kg IV infused over approximately 1 hour or fixed 700 mg SC injection in the abdomen. The absolute BA was determined by the ratio of dose normalized area under the curve from zero to infinity (AUC(0‐inf)) for SC versus IV dosing. Results: Thirty subjects received IV infusion and 29 subjects received SC injection. After SC dosing, maximum concentration was observed 72 hours post dose and was 4‐fold lower compared to IV infusion, which reflected the long absorption phase following SC administration compared with IV infusion. The AUC was 2‐fold lower for SC administration compared with IV infusion. Lecanemab half‐life (∼ 7 days) was similar following SC and IV administration. The absolute BA following a single SC 700 mg dose of lecanemab was 49.7% (90% CI: 43.5 – 56.8). PK of lecanemab after SC administration in Japanese subjects was similar to those in non‐Japanese subjects. Mild to moderate injection site reactions were experienced by 6 (20.7%) subjects in the SC dose group. Grade 1 and 2 infusion related reactions were experienced by 10 (33.3%) subjects in the IV dose group. One subject in IV and 2 in SC dose group, had confirmed treatment‐emergent positive anti‐drug antibodies (ADA), with low titers ranging from 16 to 32 with no subject being positive for neutralizing antibodies. Conclusion: Lecanemab was well tolerated following both SC and IV administrations. The estimate of absolute BA of SC compared to IV dosing will be used to define SC dose and dosing regimen equivalent to IV dosing. [ABSTRACT FROM AUTHOR]

Background: Lecanemab is a humanized IgG1 monoclonal antibody that preferentially targets soluble aggregated Aβ species (protofibrils) with activity at insoluble fibrils. Lecanemab 10 mg/kg IV biweekly dose (10BW) is being evaluated in the Clarity AD Phase 3 study in Early AD. A Phase 1 study was conducted to assess the absolute bioavailability (BA) of subcutaneous (SC) administration relative to IV infusion. Modeling and simulation analysis was conducted to demonstrate equivalence of a fixed weekly SC dose to body weight‐based IV 10BW dose with regard to lecanemab exposure, safety and efficacy. Method: Based on estimates of BA and absorption rate constant from Phase 1 and the population PK model describing lecanemab PK after IV infusion, estimates of the area under the concentration‐time curve (AUC) and maximum concentration (Cmax) at steady‐state were generated for the proposed fixed SC dose and IV 10BW. Exposure‐response simulations were conducted to compare positron emission tomography (PET) standard uptake ratio (SUVr)as a measure of pharmacodynamic effect, and incidence of amyloid related imaging abnormality‐E (ARIA‐E) as a measure of safety between SC and IV doses. The impact of body weight on the lecanemab exposure, reduction in amyloid PET SUVr and ARIA‐E risk when administered as a fixed SC dose and body weight‐based IV dose were explored. Result: Phase 1 data support a proposed fixed lecanemab SC dose of 720 mg administered weekly (720W). PK simulations demonstrate that the AUC of SC 720W were similar to IV 10BW. Exposure‐response simulations demonstrate comparable reduction in amyloid PET SUVr following SC 720W and IV 10BW, and lower incidence of ARIA‐E in SC 720W due to lower Cmax following SC administration. Lecanemab exposure differences between a fixed SC dose and body weight‐based IV dose were observed at the extremes of body weight; however, this did not have a meaningful effect on the reduction in PET SUVr and ARIA‐E risk. Conclusion: This analysis demonstrates that the proposed SC 720W results in equivalent AUC predicted to attain a comparable reduction in amyloid PET SUVr and a lower Cmax predicted to produce a lower incidence of ARIA‐E compared to IV 10BW. [ABSTRACT FROM AUTHOR]

Metal-organic frameworks (MOFs) can theoretically yield a nearly infinite number of nanoporous materials, which represents a combinatorial design challenge that demands computational tools rather than experimental trial-and-error. Here we report Quantitative Structure-Property Relationship (QSPR) models to identify high-performing MOFs for methane purification solely using geometrical features. The CO2 working capacity and CO2/CH4 selectivity of ca. 320,000 hypothetical MOF structures was computed at conditions relevant to natural gas purification using grand canonical Monte-Carlo (GCMC) simulations. Using 32,500 MOF structures we calibrated binary decision tree (DT) and support vector machine (SVM) models that can accurately identify high-performing MOFs based on their pore size, void fraction and surface area. DT models yielded guidelines of pore size, void fraction and surface area for designing high-performing materials. The SVM machine learning classifiers could be used to quickly pre-screen MOFs, such that compute intensive GCMC simulations are not performed on all structures. The SVM classifiers were tested on ca. 290,000 MOFs that were not part of the training set and could correctly identify up to 90 % of high-performing MOFs while only flagging a fraction of the MOFs for more rigorous screening. QSPR models constitute efficient computational tools for the virtual screening of large structural libraries and provide rational design rules for the discovery of sorbents for methane purification. [ABSTRACT FROM AUTHOR]

Background & Aims: Incidence and mortality of hepatocellular carcinoma (HCC) is increasing globally, but varies between countries and regions. To target scarce resources to most need, clinical services must be informed by regional epidemiology. Using population-based data, we sought to document the incidence and mortality of HCC in Queensland, Australia, a state occupying a vast land area with diverse at-risk subpopulations. Methods: Using population-based data from 1996 to 2011, the age-standardised incidence rate (ASR), annual percentage change (APC) and survival of HCC in Queensland were assessed with negative binomial regression, Kaplan-Meier and Cox survival analysis. Spatial patterns of HCC incidence and survival and relevant predictors were mapped. Results: Thousand six hundred and twenty HCCs were diagnosed during this study period, with an overall ASR of 2.00-cases/1000 population. ASR increased by 3.5% per year, (95% CI: 2.1 to 5.0), P < 0.001) among males to 5.6/100,000 in 2011 and a non-significant increase of 2.6% per year, (95% CI = -0.7 to 6.0), P = 0.111) among females to 1.6/100,000 in 2011. Higher incidence was associated with male gender, older age, major city residence and proportionally higher area Indigenous population. Thousand and two hundred and eighty-seven patients died. Median survival was approximately 10 months. Five-year survival improved from 18% in 1996-2000 to 24% in 2006-2011 (P < 0.001). Poorer survival was associated with older age, less recent period of diagnosis, lower hepatitis B prevalence in country of origin and greater area-level social disadvantage. Conclusions: Over this study period, HCC incidence increased significantly. HCC survival improved but remains poor. Social determinants are critical to HCC epidemiology. [ABSTRACT FROM AUTHOR]

Background and Aims: There is very little information known about esophageal cancer in Indigenous persons. In this retrospective study, we investigated the epidemiological and clinical features of Indigenous Australians with esophageal cancer. Methods: A retrospective study was carried out on Indigenous and non-Indigenous Australians diagnosed with esophageal cancer at Cairns Base Hospital during the period 1 January 2001 to 31 December 2006. Information was obtained from hospital medical records, Queensland Cancer Registry survival data and Queensland Health Pathology Services laboratory results. Results: Thirteen Indigenous and 53 non-Indigenous patients were diagnosed with esophageal cancer. Squamous cell carcinoma accounted for a significantly higher proportion of esophageal cancers among Indigenous (11/13) than non-Indigenous patients (24/53) ( P = 0.0135). Among patients with esophageal squamous cell cancer, Indigenous patients were more likely than non-Indigenous patients to present with metastatic disease ( P = 0.0271) at a younger mean age (50.7 years vs 67.2 years; P = 0.0002). There was no significant difference between Indigenous and non-Indigenous patients concerning their mean survival time from date of biopsy ( P = 0.7834) and whether patients had ever smoked ( P = 0.0721) or consumed alcohol ( P = 0.2849). Conclusion: There is a high incidence of squamous esophageal cancer in the Indigenous population in Far North Queensland. Indigenous persons tend to present at a younger age and with metastatic disease. [ABSTRACT FROM AUTHOR]

The article presents a study which examined the preparation of composites of recycled carbon fiber (CF) with up to 30 wt % loading with polyethylene (PE). It investigated the morphology of the composites and the degree of dispersion of the CF in the PE matrix. It also analyzed the effect of CF on the elastic modulus of PE using the Halpin-Tsai and modified Cox models.

The title compounds, [CuFe2(C5H5)2(C9H8O2)2], (I), and [CuFe4(C5H5)4(C13H9O2)2], (II), are four-coordinate square-planar copper(II) complexes with two bidentate 1-ferrocenylbutane-1,3-dionate or 1,3-diferrocenylpropane-1,3-dionate ligands, respectively. The copper ion in (I) lies on an inversion centre, with one-half of the mol­ecule in the asymmetric unit, while in (II), there are two independent half mol­ecules in the asymmetric unit, with the copper ions also situated on inversion centres. The ferrocene substituents in (I) are in an anti arrangement. The mol­ecules assemble in the crystal structure in layers with ferrocene groups at the surface. The pairs of ferrocene substituents on each ligand in complex (II) are syn and these adopt an anti arrangement with respect to the pair on the other diketonate ligand. As found in (I), complexes assemble in a layered structure with ferrocene-coated surfaces. [ABSTRACT FROM AUTHOR]

The title compound, [Cu2(C8H16N4O2)(C10H8N2)2](NO3)2, contains a centrosymmetric binuclear copper(II) complex bridged by a deprotonated oxamide ligand. The Cu atoms have a distorted square-pyramidal coordination geometry, with one of the 2,2′-bipyridine N atoms at the apex. The copper complex cations assemble in chains along the c axis viaπ–π overlaps of bipyridine ligands of neighbouring complexes. These chains are connected in the crystal structure via N—H⋯O and C—H⋯O hydrogen bonds with the nitrate ions. [ABSTRACT FROM AUTHOR]

The title compound, [Fe2Ni(C5H5)2(C20H20N2O2)]·CH2Cl2, is a four-coordinate square-planar nickel(II) complex with a tetra­dentate 1,1′-diferrocenyl-3,3′-(ethane-1,2-diyldinitrilo)dibutanolate ligand, which crystallizes with a mol­ecule of dichloro­methane. The ferrocene substituents are arranged in a syn conformation with respect to the Ni coordination plane. The complexes stack in an alternating assembly with channels occupied by the solvent mol­ecules. [ABSTRACT FROM AUTHOR]

The title compound, C13H16Br2N4O6, is a dinitro­benzamide dibromo mustard. The tetra­substituted benzene ring is significantly distorted from both planarity and ideal hexagonal symmetry. The mol­ecules assemble in the crystal structure via hydrogen-bonding inter­actions between the amide groups on adjacent mol­ecules, and by O—H⋯O(nitro) and O—H⋯Br contacts. There are short Br⋯Br contacts (3.388 Å) that are significantly less than the sum of the van der Waals radii of two Br atoms. [ABSTRACT FROM AUTHOR]

Molecules of the title compound, [Fe(C5H5)(C11H9N2O)], form (101) alternating sheets of the pyridylamide and ferrocene groups via amide to pyridine N—H…N hydrogen-bonding interactions and cyclopentadienyl to pyridine C—H…π interactions. [ABSTRACT FROM AUTHOR]

The title compound, [Ni(C38H34N4O4)], is a four-coordinate nickel(II) complex of the 5,15-dihydro-7,16-bis(benzyloxycarbon­yl)-6,18,15,17-tetra­methyl­dibenzo[ b, i]­[1,4,8,11]tetraazacyclo­tetra­decine ligand, which forms a saddle-shaped mol­ecule with divergent concave surfaces. The mol­ecules assemble in the crystal structure via C—H⋯O inter­actions with the ester carbonyl O atoms and C—H⋯π inter­actions with the propane­diiminate portion of the complex. [ABSTRACT FROM AUTHOR]

The title compound is a five-coordinate square-pyramidal zinc–porphyrin complex, [(C44H28N4)Zn(C10H9N2O)­Fe(C5H5)]·1.5C7H8, with a 4-(ferrocene-1-carboxamido)pyridine apical ligand. The complexes assemble in the crystal structure by head-to-tail stacking of the 4-(ferrocene-1-carboxamido)pyridine groups, which inter­act through π–π stacking of the pyridine and cyclo­penta­dienyl rings. [ABSTRACT FROM AUTHOR]

The title compound, C52H66N6O4·2CH3OH, is a 5,15-diaryl­octa­alkyl­porphyrinogen. The mol­ecule is centrosymmetric, with the pyrrole rings adopting a 1,2-alternate arrangement. The methanol mol­ecules are included in the tetra­pyrrole cavity through hydrogen bonding and O—H⋯π inter­actions. The mol­ecules form chains in the crystal structure via phenyl C—H⋯π-pyrrole stacking. [ABSTRACT FROM AUTHOR]

The title compound, [Fe(C3H6NS2)2(C26H24P2)]BF4, contains a six-coordinate iron(III) cationic complex, with two bidentate dimethyl­dithio­carbamate and one 1,2-bis­(diphenyl­phos­phino)ethane ligands, and a disordered tetra­fluoro­borate anion. The cation possesses a crystallographic twofold rotation axis. The cations assemble in the crystal structure in two-dimensional layers via complementary C—H⋯π(phen­yl) inter­actions with channels occupied by tetra­fluorborate anions. [ABSTRACT FROM AUTHOR]

The centrosymmetric title compound, C54H66N4, is a 5,15 diaryl­octa­alkyl free base porphyrin. The planar 24-atom porphyrin core has a significant in-plane distortion commonly observed in these types of mol­ecules along the 5,15 direction. The porphyrin molecules are arranged in the crystal structure in two-dimensional assemblies via phenyl-edge-to-porphyrin-face inter­actions. [ABSTRACT FROM AUTHOR]

The structures of a series of four-coordinate nickel(II) complexes of the form [Ni(sacsac)L] PF6 (sacsac = pentane-2,4-di­thione anion; L = (Ph2P)2(CH2) n, n = 1,2,3) have beendetermined. These are [bis­(di­phenyl­phosphino)­methane](pentane-2,4-di­thionato- S,S′)­nickel(II) hexa­fluoro­phosphate, [Ni(C25H22P2)(C5H7S2)]PF6, [1,2-bis­(di­phenylphosphino)­ethane](pentane-2,4-di­thionato- S,S′)­nickel(II) hexa­fluoro­phosphate, [Ni(C26H24P2)(C5H7S2)]PF6, and [1,3-bis­(di­phenyl­phosphino)­propane](pentane-2,4-di­thionato- S,S′)­nickel(II) hexa­fluoro­phosphate, [Ni(C27H26P2)(C5H7S2)]PF6. All have a distorted square-planar arrangement about Ni with angles around Ni varying with the length of the hydro­carbon chain. [ABSTRACT FROM AUTHOR]

The title mol­ecule, C64H86N4, possesses a crystallographically imposed centre of symmetry with a recta­ngular distortion of the porphyrin core. In the crystal structure, mol­ecules form laddered assemblies via partial π stacking of porphyrins. The assemblies are further formed into layers separated by tert-butyl groups. [ABSTRACT FROM AUTHOR]

The crystal structure of the title compound, C(34)H(54)N(2)O(4), has been solved in order to prove the relative and absolute chirality of the newly-formed stereocentres which were established using an asymmetric Diels-Alder reaction at an earlier stage in the synthesis. This unprecedented stable dialdimine contains a 14-membered ring and was obtained as the minor diastereoisomer in the Diels-Alder reaction. The absolute stereochemistry of the stereocentres of the acetal functionality was known to be R based on the use of a chiral (R)-tris-ubstituted dienophile derived from enanti-opure (S)-glyceraldehyde. The assignment of the configuration in the dienophile and the title di-aldimine differs from (S)-glyceraldehyde due to a change in the priority order of the substituents. The crystal structure establishes the presence of six stereocentres all attributed to be R. The 14-membered ring contains two aldimine bonds [C-N = 1.258 (2) and 1.259 (2) Å]. It adopts a similar conformation to that proposed for trans-trans-cyclo-tetra-deca-1,8-dienes.

In the title compound,, [Fe(C(5)H(5))(C(17)H(20)BO(2))], the two near parallel cyclo-penta-dienyl rings of the ferrocene group are eclipsed. The benzene ring is tilted with respect to the attached cyclo-penta-diene ring by 17.0 (1)° and by 24.2 (1)° with respect to the dioxaborolane ring. The mol-ecules assemble in the crystal via C-H⋯π inter-actions between the cyclo-penta-dienyl H atoms and the benzene and cyclo-penta-dienyl rings of neighbouring mol-ecules.

The crystal structure of the title compound, C(20)H(18)N(2)O(8), has been investigated to establish the relative stereochemistry between the ester groups. The cyclo-hexane ring adopts a chair conformation, in which the two ester groups occupy the adjacent equatorial positions in a trans relationship with each other. The mol-ecules assemble in the crystal as chains along the c axis via C-H⋯π inter-actions between the cyclo-hexane ring and a pair of nitro-phenyl rings of the neighbouring mol-ecule. Also observed are π-π stacking inter-actions between the nitro-phenyl rings of neighbouring chains, with a perpendicular distance between these rings of 3.409 Å and a slippage of 0.969 Å.

In the title compound, C(22)H(23)NO(3)S, the relative stereochemistry of the two stereogenic centres is anti with respect to the H atoms. The mol-ecular packing of the crystal shows a double-strand arrangement, consisting of one strand of (S*,S*) enanti-omers and one strand of (R*,R*) enanti-omers. Both strands lie parallel to each other along the a axis. Each strand is made up of dimers in which the mol-ecules are connected to each other via an inter-molecular O-H⋯O hydrogen bond between the hydroxyl groups and an O-H⋯π inter-action with the aromatic ring. These units are then connected to neighbouring dimers via N-H⋯O hydrogen bonds and C-H⋯O interactions. Intramolecular C-H⋯O interactions are also observed.

In the crystal structure of the title compound, C(16)H(16)O(6), a pair of naphthoquinone rings are linked via O-H⋯O-C hydrogen bonds in a nearly orthogonal arrangement. This dimeric unit is linked to a neighbouring dimer by π-π stacking inter-actions between the naphthoquinone rings, where the distance between the mean plane of the naphtoquinone backbones is 3.468 Å, and O-H⋯O-C hydrogen bonds.

The title compound, C(14)H(19)NO(3), was obtained as one of the two isomers of a Sharpless asymmetric dihydroxy-lation reaction of (1S)-1-[(1R)-1-phenyl-ethyl]-4-vinyl-pyrrolidin-2-one. The absolute stereochemistry of this isomer was determined from the known stereochemistry (R) at the bridge C atom between the phenyl and pyrrolidine rings. The mol-ecules form one-dimensional tapes along the b axis via hydrogen bonding between the carbonyl O atom and the alcohol groups of neighbouring mol-ecules. These assemble into sheets via inter-digitative stacking of the phenyl rings and C-H⋯O inter-actions.