Chemical bonding at the metal-organic framework/metal oxide interface: simulated epitaxial growth of MOF-5 on rutile TiO2

Bristow, J.,Butler, K.,Svane, K.,Gale, J.,Walsh, A. Royal Society of Chemistry 2017 Journal of materials chemistry. A, Materials for e Vol.5 No.13

<P>Thin-film deposition of metal-organic frameworks (MOFs) is now possible, but little is known regarding the microscopic nature of hybrid hetero-interfaces. We first assess optimal substrate combinations for coherent epitaxy of MOFs based on a lattice matching procedure. We then perform a detailed quantum mechanical/molecular mechanical investigation of the growth of (011) MOF-5 on (110) rutile TiO2. The lowest energy interface configuration involves a bidentate connection between two TiO6 polyhedra with deprotonation of terephthalic acid to a bridging oxide site. The epitaxy of MOF-5 on the surface of TiO2 was modelled with a forcefield parameterised to quantum chemical binding energies and bond lengths. The microscopic interface structure and chemical bonding characteristics are expected to be relevant to other hybrid framework-oxide combinations.</P>

Free Energy of Ligand Removal in the Metal–Organic Framework UiO-66

Bristow, Jessica K.,Svane, Katrine L.,Tiana, Davide,Skelton, Jonathan M.,Gale, Julian D.,Walsh, Aron American Chemical Society 2016 The Journal of Physical Chemistry Part C Vol.120 No.17

<P/><P>We report an investigation of the “missing-linker phenomenon” in the Zr-based metal–organic framework UiO-66 using atomistic force field and quantum chemical methods. For a vacant benzene dicarboxylate ligand, the lowest energy charge-capping mechanism involves acetic acid or Cl<SUP>–</SUP>/H<SUB>2</SUB>O. The calculated defect free energy of formation is remarkably low, consistent with the high defect concentrations reported experimentally. A dynamic structural instability is identified for certain higher defect concentrations. In addition to the changes in material properties upon defect formation, we assess the formation of molecular aggregates, which provide an additional driving force for ligand loss. These results are expected to be of relevance to a wide range of metal–organic frameworks.</P>

Anharmonic Origin of Giant Thermal Displacements in the Metal–Organic Framework UiO-67

Svane, Katrine L.,Bristow, Jessica K.,Walsh, Aron American Chemical Society 2017 The Journal of Physical Chemistry Part C Vol.121 No.40

<P>The crystallography of mechanically soft materials such as hybrid organic inorganic compounds often reveals large thermal displacement factors and partially occupied lattice sites, which can arise from static or dynamic disorder. A combination of ab initio lattice dynamics and molecular dynamics simulations reveals the origin of the giant thermal displacements in the biphenyl-4,4 '-dicarboxylate (BPDC) linker in the metal-organic framework UiO-67. The dihedral angle between the two phenyl rings has two equivalent minima at +/- 31 degrees, which cannot be described by harmonic phonons. Instead, anharmonic switching between the minima results in the experimentally observed large thermal ellipsoids. The switching frequency is found to be similar in the topologically distinct framework IRMOF-10, suggesting that dynamic disorder is a general feature of MOFs based on BPDC and structurally similar linkers.</P>

Surgical technique of en bloc pelvic resection for advanced ovarian cancer

장석준,Robert E. Bristow 대한부인종양학회 2015 Journal of Gynecologic Oncology Vol.26 No.2

Objective: The aim of this paper was to describe the operative details for en bloc removal of the adnexal tumor, uterus,pelvic peritoneum, and rectosigmoid colon with colorectal anastomosis in advanced epithelial ovarian cancer patients withwidespread pelvic involvement. Methods: The patient presented with good performance status and huge pelvic tumor extensively infiltrating into adjacentpelvic organs and obliterating the cul-de-sac. The patient underwent en bloc pelvic resection as primary cytoreductive surgery. En bloc pelvic resection procedure is initiated by carrying a circumscribing peritoneal incision to include all pan-pelvic diseasewithin this incision. After retroperitoneal pelvic dissection, the round ligaments and infundibulopelvic ligaments are divided. The ureters are dissected and mobilized from the peritoneum. After dissecting off the anterior pelvic peritoneum overlying thebladder with its tumor nodules, the bladder is mobilized caudally and the vesicovaginal space is developed. The uterine vesselsare divided at the level of the ureters, and the paracervical tissues (or parametria) are divided. The proximal sigmoid colon isdivided above the most proximal extent of gross tumor using a ligating and dividing stapling device. The sigmoid mesenteryis ligated and divided including the superior rectal vessels. The pararectal and retrorectal spaces are further developed anddissected down to the level of the pelvic floor. The posterior dissection is progressed and moves to the right and then to theleft of the rectum. The rectal pillars including the middle rectal vessels are ligated and divided. Hysterectomy is completed in aretrograde fashion. The distal rectum is divided using a linear stapler. The specimen is removed en bloc with the uterus, adnexa,pelvic peritoneum, rectosigmoid colon, and tumor masses leaving a macroscopically tumor-free pelvis. Colorectal anastomosiswas completed using stapling device. Results: En bloc pelvic resection was performed by total abdominal hysterectomy, bilateral salpingo-oophorectomy, pelvicperitonectomy, and rectosigmoid colectomy with colorectal anastomosis using a stapling device. Complete clearance of pelvicdisease leaving no gross residual disease was possible using en bloc pelvic resection. Conclusion: En bloc pelvic resection is effective for achieving maximal cytoreduction with the elimination of the pelvic diseasein advanced primary ovarian cancer patients with extensive pelvic organ involvement.

ICBEN review of research on the biological effects of noise 2011-2014

Basner, Mathias,Brink, Mark,Bristow, Abigail,de Kluizenaar, Yvonne,Finegold, Lawrence,Hong, Jiyoung,Janssen, Sabine A,Klaeboe, Ronny,Leroux, Tony,Liebl, Andreas,Matsui, Toshihito,Schwela, Dieter,Sliwi Medknow PublicationsMedia Pvt Ltd 2015 Noise & health Vol.17 No.75

<P>The mandate of the International Commission on Biological Effects of Noise (ICBEN) is to promote a high level of scientific research concerning all aspects of noise-induced effects on human beings and animals. In this review, ICBEN team chairs and co-chairs summarize relevant findings, publications, developments, and policies related to the biological effects of noise, with a focus on the period 2011-2014 and for the following topics: Noise-induced hearing loss; nonauditory effects of noise; effects of noise on performance and behavior; effects of noise on sleep; community response to noise; and interactions with other agents and contextual factors. Occupational settings and transport have been identified as the most prominent sources of noise that affect health. These reviews demonstrate that noise is a prevalent and often underestimated threat for both auditory and nonauditory health and that strategies for the prevention of noise and its associated negative health consequences are needed to promote public health.</P>

Analysis of para-aortic lymphadenectomy up to the level of the renal vessels in apparent early-stage ovarian cancer

장석준,Robert E. Bristow,유희석 대한부인종양학회 2013 Journal of Gynecologic Oncology Vol.24 No.1

Objective: The aim of this study was to evaluate the impact of para-aortic lymphadenectomy up to the renal vessels on the accurate staging in ovarian cancer patients presumed preoperatively to be confined to the ovary. Methods: We retrospectively analyzed data on 124 patients with primary epithelial ovarian cancer who were preoperatively thought to have tumor confined to the ovary and underwent primary staging surgery. The distribution of lymph node metastasis and various risk factors for nodal involvement were investigated. Results: Surgical staging yielded: 87 (70.2%) patients had International Federation of Gynecology and Obstetrics (FIGO)stage I disease and 37 (29.8%) patients had stage II-III disease: 4 IIA, 6 IIB, 9 IIC, 1 IIIA, and 17 IIIC. Eighty-six patients had pelvic lymphadenectomy only and 69 had pelvic and para-aortic lymphadenectomy. Lymph node metastases were found in 17 (24.6%)of 69 patients; 5 (7.2%) patients had lymph node metastasis in the pelvic lymph nodes only, 8 (11.6%) in the para-aortic lymph nodes only, and 4 (5.8%) in both pelvic and para-aortic lymph nodes. Six (8.7%) patients had lymph node metastasis in the paraaortic lymph node above the level of the inferior mesenteric artery. On multivariate analysis, grade 3 tumor (p=0.01) and positive cytology (p=0.03) were independent predictors for lymph node metastasis. Conclusion: A substantial number of patients with apparently early ovarian cancer had upstaged disease. Of patients who underwent lymphadenectomy, some patients had lymph node metastasis above the level of the inferior mesenteric artery. Paraaortic lymphadenectomy up to the renal vessels may detect occult metastasis and be of help in tailoring appropriate adjuvant treatment as well as giving useful information about the prognosis.

Role of aggressive surgical cytoreduction in advanced ovarian cancer

장석준,Robert E. Bristow,Dennis S. Chi,William A. Cliby 대한부인종양학회 2015 Journal of Gynecologic Oncology Vol.26 No.4

Ovarian cancer is the eighth most frequent cancer in women and is the most lethal gynecologic malignancy worldwide. The majority of ovarian cancer patients are newly diagnosed presenting with advanced-stage disease. Primary cytoreductive surgery and adjuvant taxane- and platinum-based combination chemotherapy are the standard treatment for advanced ovarian cancer. A number of studies have consistently shown that successful cytoreductive surgery and the resultant minimal residual disease are significantly associated with survival in patients with this disease. Much has been written and even more debated regarding the competing perspectives of biology of ovarian cancer versus the value of aggressive surgical resection. This review will focus on the current evidences and outcomes supporting the positive impact of aggressive surgical effort on survival in the primary management of ovarian cancer.

천연고무와 합성 Cis - Polyisoprene 간의 성질 비교

백남철,(,G . M . Bristow,J . M . Campbell,E . D . Farlie ) 한국고무학회 1968 엘라스토머 및 콤포지트 Vol.3 No.1

Vacancy defect configurations in the metal–organic framework UiO-66: energetics and electronic structure

Svane, Katrine L.,Bristow, Jessica K.,Gale, Julian D.,Walsh, Aron Royal Society of Chemistry 2018 Journal of Materials Chemistry A Vol.6 No.18

<▼1><P>The energetics and electronic structure of defects in the metal–organic framework UiO-66 is investigated using density functional theory.</P></▼1><▼2><P>Vacancy lattice sites in the metal–organic framework UiO-66 are known to have a profound effect on the material properties. Here we use density functional theory to compare the energies of defect arrangements containing missing linkers and missing metal clusters for different choices of charge compensation. Our results show that the preference for missing metal clusters or missing linker defects depends on the charge compensation as well as the overall concentration of defects in the crystal. Both regimes can be experimentally accessible depending on the synthesis conditions. We investigate the electronic structure of the different types of defects, showing that, despite some changes in the localisation of the frontier orbitals, the electronic energy levels are only weakly affected by the presence of point defects.</P></▼2>

Modular Construction in the Las Vegas Hospitality Industry: Lessons Learned

Shreyansh Paliwal,Jin Ouk Choi,James Bristow,Hyun Kyung Chatfield 한국서비스디자인학회 2023 한국서비스디자인학회 학술대회자료집 Vol.2023 No.1