Endohedrally doped atomic clusters have generated considerable interest among computational chemists on account of their tunable chemical properties that mimic a super atom. Such endohedrally doped ...clusters have also been experimentally realised in the more recent past. The present work explores the practical existence of 3d, 4d and 5d doped aluminium clusters, more specifically doped
cluster, by evaluating systematically their structural stability through the first principle molecular dynamical simulations. Born-Oppenheimer Molecular Dynamics (BOMD) simulations have been carried out on
atomic clusters where X = Ti, V, Fe, Co, Ni, Cu, Zn, Y, Mo, Ru, Rh and W are in endohedral position. The thermal stability of such endohedrally doped clusters is quantified through parameters such as
, MSD and
. Electronic structure calculations reveal that endohedral doping of only Rh, Cu and Zn is preferred in the
cluster. Other dopants prefer to remain on the surface positions. However, finite temperature calculations reveal that the
Zn cluster undergoes surface modifications from 300K leading to a distorted icosahedral structure.
Cu cluster in quartet spin state is the only thermally stable cluster with Cu remaining in the endohedral position and structure retaining icosahedral confirmation till 700K.
Efficient storage of hydrogen, green fuel with the highest energy density, remains a pressing challenge. Among the several materials investigated for their potential hydrogen storage, 2D materials, ...like graphene, have advantages such as mechanical strength and large surface area but fail to store hydrogen reversibly. In this context, the present computational experiment demonstrates the potential of Graphene Quantum Dots (GQDs) with 24, 40 and 42 carbon atoms for their hydrogen storage capacity in quasi-molecular mode. Factors such as edge terminations, heteroatom doping, and anchoring of metal atoms are evaluated as a function of their storage capacity. The study clearly demonstrates an enhanced storage capacity of quantum dots, particularly, when a single Ti adatom is anchored on a 24 carbon atom GQD with a storage weight % of 2.24 % w/w. The storage weight % is further noted to increase as a function of the number of Ti atoms anchored on the GQD with the highest hydrogen storage weight % of 6.1 % w/w. Importantly, the adsorption of hydrogen molecule on the Ti atom is through a quasi-molecular mode and is driven by Kubas interaction. This type of interactions makes GQDs as viable storage materials at room temperature. Secondly, the work demonstrates that GQDs offer higher storage capacities of hydrogen molecules as compared to their 2D counterparts viz., graphene sheets, making them attractive candidates to be explored experimentally.
•Graphene quantum dots are studied as potential media for hydrogen storage.•Effect of modifications to f-GQDm on its hydrogen storage capacity is studied.•Ti_f-GQDm showed favourable hydrogen adsorption energy for reversible storage.•Kubas type interaction is seen between Ti atom and adsorbed hydrogen molecules.•4Ti adsorbed 24 atom graphene quantum dot showed highest storage capacity of 6.1 % w/w.
Obesity is a worldwide epidemic associated with increased risk and progression of colon cancer. Here, we aimed to determine the role of adipose triglyceride lipase (ATGL), responsible for ...intracellular lipid droplet (LD) utilization, in obesity-driven colonic tumorigenesis. In local colon cancer patients, significantly increased ATGL levels in tumor tissue, compared to controls, were augmented in obese individuals. Elevated ATGL levels in human colon cancer cells (CCC) relative to non-transformed were augmented by an obesity mediator, oleic acid (OA). In CCC and colonospheres, enriched in colon cancer stem cells (CCSC), inhibition of ATGL prevented LDs utilization and inhibited OA-stimulated growth through retinoblastoma-mediated cell cycle arrest. Further, transcriptomic analysis of CCC, with inhibited ATGL, revealed targeted pathways driving tumorigenesis, and high-fat-diet obesity facilitated tumorigenic pathways. Inhibition of ATGL in colonospheres revealed targeted pathways in human colonic tumor crypt base cells (enriched in CCSC) derived from colon cancer patients. In CCC and colonospheres, we validated selected transcripts targeted by ATGL inhibition, some with emerging roles in colonic tumorigeneses (ATG2B, PCK2, PGAM1, SPTLC2, IGFBP1, and ABCC3) and others with established roles (MYC and MUC2). These findings demonstrate obesity-promoted, ATGL-mediated colonic tumorigenesis and establish the therapeutic significance of ATGL in obesity-reinforced colon cancer progression.
Dry eye disease (DED) is a common disorder that negatively impacts quality of life and vision. Prior studies have shown some benefit of acupuncture for dry eye, but very few have included control ...group to mitigate placebo effect. This study was designed with a sham acupuncture control group to evaluate true acupuncture treatment effect.
This is a prospective, randomized, double-blinded, sham-acupuncture-controlled trial. Acupuncture treatment for dry eye was performed as per the Niemtzow Protocol. Twenty-four patients received true acupuncture and twenty-five received sham acupuncture. Treatment efficacy was assessed by the Ocular Surface Disease Index (OSDI) Questionnaire, ocular surface staining, tear flow, tear film break-up time (TBUT), and a general questionnaire. Atmospheric data were collected to control for the effect of atmospheric conditions on symptoms of dry eye.
OSDI scores in the treatment group improved compared to baseline (1 week,
<0.01, 1 month
<0.05, 3 months
<0.05, and 6 months
<0.01). OSDI scores in the control group improved, but did not reach significance (
=0.09). Secondary outcome measures showed no significant improvement in TBUT, Schiermer's Test, ocular surface grading, or artificial tear application. However, at 3 months, a significant reduction in the frequency of eye closing was observed among participants receiving true acupuncture treatment when compared to baseline (
=0.002). Furthermore, intragroup analysis showed significant reduction in symptoms of discomfort (
=0.01), dryness (
=0.001), scratchiness (
=0.001), and redness (
=0.01) in the true acupuncture group at 3 months.
Both true and sham acupuncture improved OSDI at 1 week after treatment, however, the improvement in OSDI was significantly greater in the true treatment groups than the sham group at 6 months after acupuncture. True acupuncture treatment improved many subjective assessments of dry eye symptoms, however, other common indicators used to objectively assess dry eye (tear flow, corneal staining, TBUT) remained unchanged. While there were trends towards improvement in the sham acupuncture group, this did not reach statistical significant during the study period. This suggests a true treatment effect of acupuncture rather than a placebo effect. Acupuncture can, therefore, be an effective adjunct to routine clinical treatment of dry eye.
Background: Acute appendicitis is the acute inflammation of appendix which is the most common cause of acute surgical emergencies. Appendicitis can mimic other pathologies. Removing normal appendix ...is an economical burden both on patients and health resources. Misdiagnosis and delay in surgery can lead to complications like perforation and finally peritonitis.Methods: This was prospective comparative study carried out in 200 patients over the period of 2 years. Patients with clinical features of acute appendicitis and fitting in inclusion and exclusion criteria were selected. Detailed history was noted and clinical examination was done. Necessary investigations were done, modified Alvarado score was calculated and all were subjected to ultrasonography of abdomen and pelvis. Intra operative findings were noted about nature of appendix and histopathology findings were noted.Results: The sensitivity of ultrasound is 78.19% and specificity is 50%. The sensitivity of modified Alvarado scoring system is 78.7% and specificity is 25%. Negative appendicectomy rate in the study was 6%.Conclusions: Modified Alvarado score has slightly higher sensitivity and ultrasound imaging has higher specificity of in the diagnosis of acute appendicitis and in decreasing negative appendicectomy rates. Ultrasound imaging provides good supportive diagnosis in cases of low or equivocal modified Alvarado scores.
The purpose of this work was to evaluate the effect of loteprednol etabonate (LE) before the initiation of topical cyclosporine A (tCsA) therapy in patients with mild-to-moderate dry eye disease. ...Prospective, multicenter randomized double-masked parallel group clinical study (NCT00407043).
Hundred and eighteen patients with dry eye disease were randomized to receive either LE and tCsA (n=61) or artificial tears (AT) and tCsA (n=57). Hundred and twelve patients completed the study (LE: n=57, AT: n=55) and are included in the data analysis. Patients self-administered either LE or AT for 2 weeks 4 times per day, followed by tCsA twice per day accompanied by either LE twice per day or AT twice per day for an additional 6 weeks of treatment. Primary outcome measures included the Ocular Surface Disease Index (OSDI) questionnaire, the Likert scale using standardized facial expressions, lissamine green staining, fluorescein staining, and the Schirmer test. Additional measures included global self-assessment, and safety outcomes included slitlamp examination, intraocular pressure, and assessment of visual acuity.
Loteprednol etabonate pretreatment significantly reduced tCsA stinging (P<0.05). Both groups showed significantly improved OSDI scores at the 14-, 30-, and 60-day visits. Loteprednol etabonate showed significantly more OSDI improvement than AT. Both pretreatment strategies improved global self-assessment scores, Schirmer test, fluorescein staining, lissamine staining, and adjunctive AT use. Loteprednol etabonate showed superior improvement in Schirmer test, fluorescein staining, and lissamine staining. Intraocular pressure did not increase in either group.
Loteprednol etabonate induction therapy 2 weeks before the initiation of long-term tCsA treatment for chronic dry eye disease provides more rapid relief of dry eye signs and symptoms with greater efficacy than tCsA and AT alone.
Abstract only
WIN, a cannabinoid, and MPDTE, a methoxy polyethylene glycol are novel drugs to mitigate the increase in intraocular pressure, a major risk factor for glaucoma. However, their mechanism ...of action is not well studied. We investigate whether WIN or MPDTE reduce IOP by targeting vascular tone or reduced aqueous humor (AH) production and if eNOS is involved. To document AH flow using fluorometry, eyes were treated topically with either 1.0% WIN, 1.0% MPDTE, 0.1% brimonidine or brinzolamide 10 min prior to applying fluorescein. To measure vascular tone, 4mm aortic rings were placed on a weighted hook system and equilibrated in Krebs solution before introducing either 1.0% WIN or 1.0% MPDTE (n=5/group). Changes in the length of the bands were measured with a micrometer. To control for eNOS contribution, endothelial lining on aortic rings was either removed or kept intact. The greatest reduction in fluorescein intensity was observed after WIN treatment (73±13%) followed by brimonidine (55±10%), MPDTE (42±7%) and brinzolamide (39±4%). WIN increased ring length by 15±3% and MPDTE by 6±4% (p=0.01, n=5). In aortic rings without endothelium, WIN increased ring length by 8±4% and MPDTE by 5±3%. Preliminary results suggest that WIN targets AH outflow with some eNOS involvement while MPDTE targets AH production without affecting vascular tone. Supported in part by E. VA Eye Inst. and E. VA Med Sch.
ABSTRACT Laparoscopic approach for management of renal cell carcinoma (RCC) has been increasingly use by many surgeons which can provide a better surgical option for T1-T3aN0M0 renal tumors. Surgical ...resection in the form of radical nephrectomy and caval thrombectomy represents the only option to obtain local control of the disease and is associated with durable oncologic control. Herein we present a case of 82 year old male presenting with haematuria and right flank pain with palpable mass in right lumbar region. CT scan revealed presence of right upper pole renal mass limited within Gerota’s fascia with thrombus in right renal vein extending to IVC. Patient underwent laparoscopic right radical nephrectomy with cavatomy for thrombus extension. Procedure was uneventful and patient recovered well.
Cannabinoids: a novel treatment for glaucoma SAMUDRE, S; HOSSEINI, A; LATTANZIO, F
Acta ophthalmologica (Oxford, England),
September 2014, 2014-09-00, 20140901, Letnik:
92, Številka:
s253
Journal Article
Recenzirano
Purpose Synthetic cannabinoids are emerging novel agents for the treatment of glaucoma. Although increased intraocular pressure (IOP) is a risk factor, associated retinal damage is of prime concern. ...This study determines the ability of cannabinoids to decrease IOP and confer neuroprotection.
Methods Ocular hypertension was created in Sprague‐Dawley (SD) rats by ligating 3 of 4 episcleral veins. IOP increased by at least 5 mm Hg in the operated eye. Cannabinoids, O‐1812 (1%) or O‐2545 (1%), were administered topically. IOP was measured by Goldmann tonometry at baseline (‐30), 0, 30, 60 and 120 min. For neuroprotection experiments: excitotoxic retinal damage was induced by injecting NMDA (2 ul of 10 mM) intravitreally in SD rats. Cannabinoids were injected following NMDA induction. Full‐field Electroretinograms were recorded at baseline, 1 wk and 2 wk. ERG a‐wave amplitudes are expressed as a percentage of baseline.
Results After treatment with O‐2545, IOP was significantly reduced to 11±0.9 mmHg after 60 min and to 12±1.1 mmHg after 120 min compared to baseline of 14±0.6 mmHg (p<0.03, n=6). Similarly, O‐1812 treatment reduced IOP to 8.4±1.8 mmHg after 60 min and maintained for up to 120 min (p<0.001, n=6). After 1 wk, NMDA (control) reduced a‐wave amplitude by 38±0.1% (p<0.001, n=6) from baseline, O‐2545 by 46±0.02% (p<0.001, n=6) and O‐1812 by 23±0.1% (p=0.004, n=6). After 2 wks, NMDA further decreased a‐wave amplitude by 48±0.1% (p<0.001, n=6), O‐2545 by 39±0.03% (p<0.05, n=6) and O‐1812 by 8±0.1% (p=0.08, n=6).
Conclusion Topically applied cannabinoids are effective agents that reduce IOP and confer neuroprotection and are prime candidates for potential glaucoma treatment.
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