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Athletes regularly engage in comprehensive neuromuscular and proprioceptive training (NPT) to prevent musculoskeletal (MSK) injuries. NPT exercises such as movement technique, agility, balance, and posture as well as yoga-based stretching and slow/deep breathing have shown added benefits in psychological and other well-being. This study aimed to examine the effects of NPT on knee sensorimotor characteristics and multi-domain wellness and health scores in active seniors. Twenty seniors participated in the NPT intervention (15–20min session twice a week for 10 weeks) while the control group did not receive any intervention. All participants completed surveys (general health, frailty, anxiety, stress, mindfulness, optimism, and sleep quality) and laboratory testing before and after intervention. Laboratory testing included frailty tests (grip strength, 4-m walk speed, and calcaneal ultrasound-based bone density) and knee sensorimotor characteristics (peak force, visual-motor reaction time, and force steadiness). There was significant increase in general mental health (Short Form 36 Mental Health; p = 0.005) and decrease in stress (Perceived Stress Scale; p = 0.010) and sleep disturbances (Pittsburgh Sleep Quality Index; p = 0.019) post-intervention while no significant changes were observed in the control group (p = 0.310–0.654). Peak knee forces in all directions and some visual-motor reaction time and force steadiness were significantly improved post-intervention only in the experimental group (p = 0.001–0.038). A simple, yet, comprehensive NPT has potential to improve MSK health as well as various domains of well-being among active seniors. • Musculoskeletal (MSK) injuries can lead to frailty especially among seniors. • Active seniors should include training to prevent MSK injuries and stay active. • Neuromuscular and proprioceptive training (NPT) with mind-body exercises was examined. • In addition to sensorimotor function, some wellness and health domains improved. • Novel NPT for active seniors can easily be implemented in their communities. [ABSTRACT FROM AUTHOR]

The trinuclear copper(II) compounds [Cu 3 (μ 3 -OH)( G L1) 3 ](ClO 4 ) 2 ( 1 – 4 ) and [Cu 3 (μ 3 -OH)( G L2) 3 ](ClO 4 ) 2 ( 5 – 8 ) with tridentate NNO Schiff base ligands G L1 − and G L2 − derived from 5-G-substituted salicylaldehydes (G = NO 2 , Br, H, Me) and the diamines 1,2-ethanediamine and 1,3-propanediamine, respectively, were investigated aiming at shedding light on possible magneto-structural correlation in this class of complexes. All derivatives contain [Cu 3 (μ 3 -OH)(L) 3 ] 2+ cations with partial cubane Cu 3 O 4 cores, and the metal ions are linked together in a pyramidal fashion by a triple-bridging hydroxido group, giving rise to propellers with three [Cu(L)] + blades. In these spin-frustrated magnetic systems, the three copper(II) ions within a cluster communicate anti-ferromagnetically (−2 J Ŝ i · Ŝ j convention) through the bridging OH group with coupling constants J ranging from −4.5(1) for 4 (G = Me) to −10.1(1) cm −1 for 1 (G = NO 2 ), and stabilization of the doublet S  = 1/2 ground state. The structural features of the complexes reveal very minimal deviations upon variation of G or the diamine flexibility along the whole series of compounds, preserving almost constant magnetic cores. Similar conclusions are also drawn by DFT gas-phase geometry optimizations of the [Cu 3 (μ 3 -OH)(L) 3 ] 2+ cations. Therefore, confident of excluding structural influences on the magnetic super-exchange path, the modulating factor of J in our derivatives can be sought after the different electronic demand of G. Atomic NBO charges support this point, revealing small but systematic variations in the electron density flow along the blades and the positive charge on copper(II) ions with the electronic nature of G, with the most remarkable effect given by the nitro group. Topological analysis of electron density according to the Quantum Theory of Atoms In Molecules further support the distinguishing role of this group with respect to the other substituents taken into consideration, besides providing indirect information about the super-exchange path. [ABSTRACT FROM AUTHOR]

A combined experimental and theoretical study on the molecular structure of linear trinuclear nickel compounds of general formula [Ni 3 (μ- Z saltn) 2 (μ-AcO) 2 (S) 2 ] (Z = H, 1S , and Br, 2S , where S identifies coordinated solvent molecules) is here presented. In these complexes the three metal ions are linked together by bridging acetato ions and tetradentate Schiff base ligands, these last derived from the condensation of 1,3-diaminopropane with two equivalents of 5-Z-salicylaldehyde. Two solvent molecules S can also interact with the terminal nickel ions to complete an octahedral coordination environment. We report the synthesis of [Ni 3 (μ- Br saltn) 2 (μ-AcO) 2 ] ( 2 ), and its crystal structure with two coordinated dimethylformamide molecules, [Ni 3 (μ- Br saltn) 2 (μ-AcO) 2 (DMF) 2 ] ( 2DMF ). Its comparison with the crystal structure of 2 without solvent, together with the series of compounds 1 , 1DMF , 1MeOH , 1DMSO , 1Py and 1H 2 O (MeOH = methanol, DMSO = dimethylsulfoxide, Py = pyridine) available in the literature, allows recognising modification in Ni O and Ni N coordination bond lengths and peculiar intermolecular contacts between neighbour molecules. In order to discern among the contribution of solvent molecules, crystal packing and substituent Z (H or Br) on bond distances (and angles), we performed a systematic theoretical study on four representative derivatives, namely 1 , 1DFM , 2 and 2DMF , with the M06 functional and a careful choice of the best basis set. The results indicate that, while the major modulating factor is the presence or absence of the sixth solvent molecule to the peripheral nickel(II) ion, even if less strongly coordinated with Ni O/N bond distances > 2.15 Å, π-π stacking interactions and C H⋯π and/or C Br⋯π non-bonded interactions affect the coordination geometry in a significant way. [ABSTRACT FROM AUTHOR]

The antioxidant activity of Mn as additive in a 45S5 type glass system with and without P 2 O 5 was studied by mimicking the activity of catalase (CMA) and superoxide dismutase (SOD) enzymes. Glasses were melted either under oxidizing or reducing atmosphere (N 2 /H 2) to compare the processing influence on the Mn oxidation state. Thermal (DTA) and optical (UV–Vis) characterizations of the glass powders were carried out to obtain further insight into the structural role of Mn. A correlation of in vitro apatite formation between Tris buffer solution and Simulated Body Fluid (SBF) was performed to optimise Mn substitution, where a decrease in apatite formation was observed by increasing Mn content. Despite this, glasses with up to 1.0 mol% MnO did not show any delay in apatite formation and maintained their CMA and SOD activity. The antioxidant effect of Mn can be attributed to the interconversion Mn2+ ↔ Mn3+ occurring on the glass surface through a heterogeneous catalysis. P 2 O 5 plays an important role in the antioxidant effect of the glass, possibly by charge balancing Mn ions and forming more stable units compared to those formed with Ca and Na. The amount of Mn2+ is predominant in the glass network with respect to Mn3+ in all synthetized glasses. Moreover, glass melting in a reducing atmosphere further avoided Mn oxidation. [ABSTRACT FROM AUTHOR]

Fluorinated tetrairon(III) Single-Molecule Magnets (SMMs) [Fe 4 (L 1 ) 2 (dpmF 6 ) 6 ] ( 1dpmF 6 ), [Fe 4 (L 2 ) 2 (dpmF 6 ) 6 ] ( 2dpmF 6 ), and [Fe 4 (L 2 ) 2 (pta) 6 ] ( 2pta ) were assembled combining the tripodal ligands H 3 L 1 = 2-hydroxymethyl-2-phenylpropane-1,3-diol and H 3 L 2 = S -5-hydroxy-4,4-bis(hydroxymethyl)pentyl ethanethioate with fluorinated β -diketones analogues of dipivaloylmethane (Hdpm), namely 1,1,1-trifluoro-2,6,6-trimethyl-2-(trifluoromethyl)heptane-3,5-dione (HdpmF 6 ) and pivaloyltrifluoroacetone (Hpta). The new compounds, along with [Fe 4 (L 1 ) 2 (dpm) 6 ] ( 1dpm ) and [Fe 4 (L 1 ) 2 (pta) 6 ] ( 1pta ), were designed in order to investigate the effect of fluorination degree on processability by thermal sublimation. The two different functional groups on the tripodal ligands, i.e. C 6 H 5 in H 3 L 1 and (CH 2 ) 3 SAc in H 3 L 2 , are suitable for promoting physisorption and chemisorption on surfaces, respectively. Direct current magnetic data are typical for the metal-centred triangular topology of Fe 4 complexes, with antiferromagnetic nearest-neighbour coupling constants in the range 16–18 cm −1 and an S = 5 ground spin state. Alternating current susceptibility measurements showed that slow magnetic relaxation persists in fluorinated compounds. When heated in high vacuum (10 −7 mbar), 2dpmF 6 and 2pta undergo thermal decomposition before subliming, while 1dpmF 6 was found to sublimate at 497 ± 5 K in the same conditions, being the third sublimable SMM of this family after 1pta (440 ± 5 K) and 1dpm (500 ± 10 K). [ABSTRACT FROM AUTHOR]

Abstract: The 1D coordination polymers [Cu2(syn,syn-η1:η1:μ-RCOO)4(anti,anti-η1:η1:μ-RCOO)(Et3NH)] n , R=Me (1) and H (2), and the dimer [Cu2(syn,syn-η1:η1:μ-PhCOO)4(anti-η1-PhCOO)2(Et3NH)2] (3) are formed by reaction of copper carboxylates with the corresponding carboxylic acid and NEt3. Moreover, the compound [Cu2(syn,syn-η1:η1:μ-MeCOO)4(anti-η1-MeCOO)2(Et2NH2)2] (4) can be obtained with the use of NHEt2. The crystal structures of 1·CH3CN and 2 comprise linear anionic 1D chains of paddle-wheel copper carboxylates [Cu2(RCOO)4], bridged together by anti,anti-η1:η1:μ acetato or formato ions. The negative charges are balanced by hydrogen-bonded triethylammonium countercations, and in compound 1 acetonitrile molecules are hosted in the voids between the chains. In compounds 3 and 4, two anti-η1-benzoato or -acetato anions occupy the apical positions of the paddle-wheel dimers [Cu2(RCOO)4], with Et3NH+ or Et2NH2 + cations balancing the negative charges, without the formation of coordination polymer chains. In compound 4, the dimeric units are held together in a 1D network by hydrogen bonds between the apical carboxylates and the diethylammonium cations. In order to evaluate the effect of the simultaneous presence of syn,syn- and anti,anti-η1:η1:μ acetato ions on the Cu–Cu magnetic communication, the magnetic susceptibility of 1 has been measured. Data were fitted to a model based on an alternating chain of copper dimers based on the Heisenberg–Zeeman Hamiltonian (−2J Ŝ1 ·Ŝ2 convention). The results show the presence of a strong antiferromagnetic coupling within the dimer 2J 1 =−(310.8±0.1)cm−1 and a weak antiferromagnetic coupling between dimers 2J 2 =−(25±1)cm−1. The latter coupling is significant since its introduction in the fit model leads to a well-behaved error surface and to a ∼35% decrease of the sum of squared residuals. The electron paramagnetic resonance (EPR) spectra of powder sample of 1 have been recorded between 5 and 295K, and they are typical of the triplet state of an antiferromagnetic copper dimer (zero field splitting |D|=0.34cm−1). [Copyright &y& Elsevier]

Abstract: In [PtX(PPh3)3]+ complexes (X=F, Cl, Br, I, AcO, NO3, NO2, H, Me) the mutual cis and trans influences of the PPh3 groups can be considered constants in the first place, therefore the one bond Pt–P coupling constants of P( cis ) and P( trans ) reflect the cis and trans influences of X. The compounds [PtBr(PPh3)3](BF4) (2), [PtI(PPh3)3](BF4) (3), [Pt(AcO)(PPh3)3](BF4) (4), [Pt(NO3)(PPh3)3](BF4) (5), and the two isomers [Pt(NO2-O)(PPh3)3](BF4) (6a) and [Pt(NO2-N)(PPh3)3](BF4) (6b) have been newly synthesised and the crystal structures of 2 and 4·CH2Cl2·0.25C3H6O have been determined. From the 1 J PtP values of all compounds we have deduced the series: I>Br>Cl>NO3 >ONO>F>AcO>NO2 >H>Me (cis influence) and Me>H>NO2 >AcO>I>ONO>Br>Cl>F>NO3 (trans influence). These sequences are like those obtained for the (neutral) cis- and trans-[PtClX(PPh3)2] derivatives, showing that there is no dependence on the charge of the complexes. On the contrary, the weights of both influences, relative to those of X=Cl, were found to depend on the charge and nature of the complex. [ABSTRACT FROM AUTHOR]

Low back pain is a common cause of disability in the US with increasing financial burden on healthcare. A variety of treatment options exist to combat LBP. Home-based therapy is a low-cost option, but there is a lack of data on how it compares to therapy in clinical settings. It was hypothesized that when using artificial intelligence-guided therapy, supervised in-clinic interventions would have a greater influence on patient-reported outcomes and strength than unsupervised, home interventions. This is a non-randomized controlled trial of 51 patients (28 female, 23 male). The investigation compared an 8-week, core-focused exercise intervention in a Clinic (supervised) versus Home (unsupervised) setting. Outcome variables included measures of strength, performance, and patient-reported outcomes related to function. Generalized linear regression (p < 0. 05) was used to evaluate outcomes were evaluated with respect to sex, intervention setting, and time. Male subjects exhibited greater strength (p ≤ 0.02) but not greater patient-reported outcomes (p ≥ 0.30) than females. The Clinic group exhibited slightly greater lateral pull-down strength (p = 0.002), greater eccentric phase range of motion during overhead press (p < 0.01), and shorter concentric phase duration during bench press (p < 0.01) than the Home group. Significance between groups was not observed in any other strength, performance, or patient-reported outcome (p ≥ 0.11). A lack of consistent significance indicated that the hypothesis was not supported. AI-guided, telehealth exercise produced comparable outcomes in both home and clinical settings. Telehealth options may offer a lower-cost alternative to clinic-based exercise therapy for patients with nonspecific lower back pain. • A paucity of data compares home-based therapy to supervised clinic-based therapy. • We compared clinic and home-based therapy interventions for lower back pain. • Patient reported pain, physical function, and kinesiophobia were assessed. • Both home- and clinic-based therapy provide comparable patient reported outcomes. [ABSTRACT FROM AUTHOR]

Several neurodegenerative diseases, like Alzheimer’s (AD), are characterized by amyloid fibrillar deposition of misfolded proteins, and this feature can be exploited for both diagnosis and therapy design. In this paper, structural modifications of curcumin scaffold were examined in order to improve its bioavailability and stability in physiological conditions, as well as its ability to interfere with β-amyloid fibrils and aggregates. The acid-base behaviour of curcumin derivatives, their pharmacokinetic stability in physiological conditions, and in vitro ability to interfere with Aβ fibrils at different incubation time were investigated. The mechanisms governing these phenomena have been studied at atomic level by means of molecular docking and dynamic simulations. Finally, biological activity of selected curcuminoids has been investigated in vitro to evaluate their safety and efficiency in oxidative stress protection on hippocampal HT-22 mouse cells. Two aromatic rings, π-conjugated structure and H-donor/acceptor substituents on the aromatic rings showed to be the sine qua non structural features to provide interaction and disaggregation activity even at very low incubation time (2h). Computational simulations proved that upon binding the ligands modify the conformational dynamics and/or interact with the amyloidogenic region of the protofibril facilitating disaggregation. Significantly, in vitro results on hippocampal cells pointed out protection against glutamate toxicity and safety when administered at low concentrations (1 μM). On the overall, in view of its higher stability in physiological conditions with respect to curcumin, of his rapid binding to fibrillar aggregates and strong depolymerizing activity, phtalimmide derivative K2F21 appeared a good candidate for both AD diagnostic and therapeutic purposes. [ABSTRACT FROM AUTHOR]

Low back pain is an extremely prevalent issue with an extensive impact, ranging from decreased quality of life to lost years of productivity. Many interventions have been developed to alleviate chronic lower back pain, yet it remains a widespread problem. The objective of this study was to examine the role of artificial intelligence guided resistance training relative to clinical variables in subjects experiencing lower back pain. 69 out of 108 enrolled and 92 accrued subjects completed the 8-week intervention. Subjects were randomized into four groups (Control, Training, Clinical, or Combined). The Training cohort received supervised artificial-intelligence-guided core-focused resistance training while the Clinical group received clinical care. The Combined group received both clinical care and artificial-intelligence-guided training and the Control group received no treatment. Participants were evaluated using functional testing and patient-reported outcomes at baseline, 4 weeks, and 8 weeks. In the clinical tests, the Clinical and Combined cohorts showed increased total time for isometric extensor endurance and the Clinical cohort increased total distance traveled in the 6-min walk test at 8 weeks. The Training, Clinical, and Combined groups showed improvements in Patient-reported outcomes after 8 weeks. Most of the significant improvements were only seen at the 8-week evaluation for both the clinical evaluations and Patient-reported outcomes. The Control group did not show significant improvements in any outcome measures. The present data indicate that core-focused interventions, including artificial-intelligence-guided moderate-resistance exercise, can increase objective functional outcomes and patient satisfaction using Patient-reported outcomes in individuals with lower back pain. • Low back pain continues to be a major cost and disability burden on the medical community. • Artificial intelligence guided exercise improved function and outcomes in low back pain patients. • Control patients failed to exhibit improvements over the 8-week period. • Artificial intelligence guided exercise offers a supplement to clinical care for low back pain. [ABSTRACT FROM AUTHOR]

Around half of anterior cruciate ligament (ACL) injuries are treated through reconstruction, but the literature lacks mechanical investigation of reconstructions in a dynamic athletic task and rupture environment. The current objective was to ascertain the feasibility of investigating ACL reconstructions in a rupture environment during simulated landing tasks in a validated mechanical impact simulator. Four cadaveric lower extremities were subjected to simulated landing in a mechanical impact simulator. External joint loads that mimicked magnitudes recorded from an in vivo population were applied to each joint in a stepwise manner. Simulations were repeated until ACL failure was achieved. Repeated measures design was used to test each specimen in the native ACL and hamstrings, quadriceps, and patellar tendon reconstructed states. ACL injuries were generated in 100% of specimens. Graft substance damage occurred in 58% of ACLRs, and in 75% of bone tendon bone grafts. Bone tendon bone and quadriceps grafts survived greater simulated loading than hamstrings grafts, but smaller simulated loading than the native ACL. Median peak strain prior to failure was 20.3% (11.6, 24.5) for the native ACL and 17.4% (9.5, 23.3) across all graft types. The simulator was a viable construct for mechanical examination of ACLR grafts in rupture environments. Post-surgery, ACL reconstruction complexes are weaker than the native ACL when subjected to equivalent loading. Bone tendon bone grafts most closely resembled the native ligament and provided the most consistently relevant rupture results. This model advocated reconstruction graft capacity to sustain forces generated from immediate gait and weightbearing during rehabilitation from an ACL injury. • Validated apparatus simulated physiologic landing forces on cadaveric limbs. • Each specimen was tested in native and three reconstructed conditions. • Ligament injuries were generated in all specimens and conditions. • Reconstruction complexes withstood less loading than the native ligament. • Bone tendon bone reconstructions best resembled the native ligament mechanics. [ABSTRACT FROM AUTHOR]