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3. First-principles investigation of oxidized Si- and Ge-terminated diamond (100) surfaces.

Author

Gomez Jr., H., Cruz, J., Milne, C., Debnath, T., Birdwell, A. G., Garratt, E. J., Pate, B. B., Rudin, S., Ruzmetov, D. A., Weil, J. D., Shah, P. B., Ivanov, T. G., Lake, R. K., Groves, M. N., and Neupane, M. R.

Subjects
ELECTRON affinity, DIAMOND surfaces, POSITRONS, SEMICONDUCTOR materials, SURFACE stability
Abstract

Diamond is a semiconductor material with remarkable structural, thermal, and electronic properties that has garnered significant interest in the field of electronics. Although hydrogen (H) and oxygen (O) terminations are conventionally favored in transistor designs, alternative options, such as silicon (Si) and germanium (Ge), are being explored because of their resilience to harsh processing conditions during fabrication. Density-functional theory was used to examine the non-oxidized and oxidized group-IV (Si and Ge)-terminated diamond (100) surfaces. The (3 × 1) reconstructed surfaces feature an ether configuration and show relative stability compared with the bare surface. Hybrid-functional calculations of the electronic properties revealed reduced fundamental bandgaps (<1 eV) and lower negative electron affinities (NEAs) than those of H-terminated diamond surfaces, which is attributed to the introduction of unoccupied Si (Ge) states and the depletion of negative charges. Furthermore, oxidation of these surfaces enhanced the stability of the diamond surfaces but resulted in two structural configurations: ether and ketone. Oxidized ether configurations displayed insulating properties with energy gaps of ∼4.3 ± 0.3 eV, similar to H-terminated diamond (100) surfaces, whereas bridged ether configurations exhibited metallic properties. Oxidization of the metallic ketone configurations leads to the opening of relatively smaller gaps in the range of 1.1–1.7 eV. Overall, oxidation induced a shift from NEAs to positive electron affinities, except for the reverse-ordered ketone surface with an NEA of −0.94 eV, a value comparable to the H-terminated diamond (100) surfaces. In conclusion, oxidized group-IV-terminated diamond surfaces offer enhanced stability compared to H-terminated surfaces and display unique structural and electronic properties that are influenced by surface bonding. [ABSTRACT FROM AUTHOR]

Published
2024
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8. Existence and conditional energetic stability of solitary gravity-capillary water waves with constant vorticity

Author

Groves, M. D. and Wahlén, E.

Subjects
Mathematics - Analysis of PDEs, Nonlinear Sciences - Pattern Formation and Solitons
Abstract

We present an existence and stability theory for gravity-capillary solitary waves with constant vorticity on the surface of a body of water of finite depth. Exploiting a rotational version of the classical variational principle, we prove the existence of a minimiser of the wave energy $\mathcal H$ subject to the constraint $\mathcal I=2\mu$, where $\mathcal I$ is the wave momentum and $0< \mu \ll 1$. Since $\mathcal H$ and $\mathcal I$ are both conserved quantities a standard argument asserts the stability of the set $D_\mu$ of minimisers: solutions starting near $D_\mu$ remain close to $D_\mu$ in a suitably defined energy space over their interval of existence. In the applied mathematics literature solitary water waves of the present kind are described by solutions of a Korteweg-deVries equation (for strong surface tension) or a nonlinear Schr\"{o}dinger equation (for weak surface tension). We show that the waves detected by our variational method converge (after an appropriate rescaling) to solutions of the appropriate model equation as $\mu \downarrow 0$, Comment: Corrected version. To appear in Proceedings of the Royal Society of Edinburgh: Section A

Published
2013
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17. Introduction

Author

Craig, W., Groves, M. D., Schneider, G., and Toland, J. F.

Published
2002

19. A phase II study of bevacizumab and erlotinib after radiation and temozolomide in MGMT unmethylated GBM patients

Author

Raizer, J. J., Giglio, P., Hu, J., Groves, M., Merrell, R., Conrad, C., Phuphanich, S., Puduvalli, V. K., Loghin, M., Paleologos, N., Yuan, Y., Liu, D., Rademaker, A., Yung, W. K., Vaillant, B., Rudnick, J., Chamberlain, M., Vick, N., Grimm, S., Tremont-Lukats, I. W., De Groot, J., Aldape, K., Gilbert, M. R., and Brain Tumor Trials Collaborative

Published
2016
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25. Reduction of O2 to H2O2 using Small Polycyclic Molecules

Author

Lopez K and Groves M

Subjects
chemistry.chemical_compound, chemistry, Anthraquinone process, Oxidizing agent, Molecule, Dehydrogenation, Hydrogen peroxide, Environmentally friendly, Anthraquinone, Combinatorial chemistry, Catalysis
Abstract

Hydrogen peroxide is an environmentally friendly oxidizing agent that is important in several industries. It is currently produced industrially via the anthrahydroquinone (AHQ) process where O2 reacts with a functionalised version of anthrahydroquinone to produce H2O2 and anthraquinone. In the previously published DFT pathway for this process the transition of the OOH? radical across the partially dehydrogenated AHQ catalyst was not explored. In this paper, we will use DFT to explore this step and show that there is a deep potential energy minimum that inhibits the OOH. from being fully reduced. We then examine other similar sized polycyclic molecules with two OH-groups on the same side that could serve as alternative catalysts without this issue. In this analysis, we identify Phenanthraquinone as a possible alternative and present the pathway for this candidate to produce H2O2 as well as its regeneration with H2.

Published
2021

26. Bintrafusp alfa (M7824), a bifunctional fusion protein targeting TGF-β and PD-L1: results from a phase I expansion cohort in patients with recurrent glioblastoma

Author

Khasraw, Mustafa, Weller, M, Lorente, D, Kolibaba, K, Lee, CK, Gedye, C, I. de La Fuente, M, Vicente, D, Reardon, DA, Gan, HK, Scott, AM, Dussault, I, Helwig, C, Ojalvo, LS, Gourmelon, C, Groves, M, Khasraw, Mustafa, Weller, M, Lorente, D, Kolibaba, K, Lee, CK, Gedye, C, I. de La Fuente, M, Vicente, D, Reardon, DA, Gan, HK, Scott, AM, Dussault, I, Helwig, C, Ojalvo, LS, Gourmelon, C, and Groves, M

Abstract

Abstract Background For patients with recurrent glioblastoma (rGBM), there are few options following treatment failure with radiotherapy plus temozolomide. Bintrafusp alfa is a first-in-class bifunctional fusion protein composed of the extracellular domain of the TGF-βRII receptor (a TGF-β “trap”) fused to a human IgG1 antibody blocking PD-L1. Methods In this phase I, open-label expansion cohort (NCT02517398), patients with rGBM that progressed after radiotherapy plus temozolomide received bintrafusp alfa 1200 mg Q2W until disease progression, unacceptable toxicity, or trial withdrawal. Response was assessed per RANO criteria. The primary endpoint was disease control rate (DCR); secondary endpoints included safety. Results As of August 24, 2018, 35 patients received bintrafusp alfa for a median of 1.8 (range, 0.5–20.7) months. Eight patients (22.9%) experienced disease control as assessed by an independent review committee: 2 had a partial response, 4 had stable disease, and 2 had non-complete response/non-progressive disease. Median progression-free survival (PFS) was 1.4 (95% confidence interval [CI], 1.2–1.6) months; 6- and 12-month PFS rates were 15.1% and 11.3%, respectively. Median overall survival (OS) was 5.3 (95% CI, 2.6–9.4) months; 6- and 12-month OS rates were 44.5% and 30.8%, respectively. The DCR (95% CI) was 66.7% (22.3–95.7%) for patients with IDH-mutant GBM (n = 6) and 13.8% (3.9–31.7%) for patients with IDH–wild-type GBM (n = 29). Disease control was seen regardless of PD-L1 expression. Twenty-five patients (71.4%) experienced treatment-related adverse events (grade ≥3; 17.1% [n = 6]). Conclusions The percentage of patients achieving disease control and the manageable safety profile may wa

Published
2021

29. Third Annual Huntington Disease Clinical Research Symposium: Organized by the Huntington Study Group

Author

Dubinsky, Richard, Roberson, Judy, Battaglia, G., Cannella, M., Riozzi, B., Orobello, S., Maat-Schieman, M. L., Aronica, E., Busceti, C. Letizia, Ciarmiello, A., Alberti, S., Sassone, J., Sipione, S., Bruno, V., Frati, L., Nicoletti, F., Squitieri, F., Rao, A., Gordon, A., Marder, K., Nolta, Jan, Anderson, K., Gruber-Baldini, A., Medalie, J., Reich, S., Fishman, P., Robottom, B., Weiner, W., Shulman, L., Langbehn, D., Paulsen, J., Witten, Celia, Cox, M., Feigin, A., Napolitano, B., Goh, A., Yastrubetskaya, O., Chiu, E., Cloud, L., Helmers, S., Jones, R., Factor, S., Emory, C. Testa, Kegelmeyer, D., Kostyk, S., Fritz, N., Kloos, A., Lessig, S., Goldstein, J., Corey-Bloom, J., Simonelli, M., Martino, T., Colonnese, C., Callaghan, J., Arran, N., Boisse, M. F., Coleman, A., Dar Santos, R., Dumas, E., Hart, E. ’t, Justo, D., Read, J., Say, M., Van Den Bogaard, S., Durr, A., Leavitt, B., Roos, R., Tabrizi, S., Bourdet, C., van Duijn, E., Craufurd, D., Evans, K., Vaccarino, A., Aylward, E., Nopoulos, P., Ross, C., Pierson, R., Mills, J., Magnotta, V., Johnson, H., Mitchell, A., Cortes, J. C., Dahmubed, A., Krakauer, J., Mazzoni, P., Russell, D., Jennings, D., Tamagnan, G., Seibyl, J., Koren, A., Zubal, G., Marek, K., Goodman, L., Carnes, R., Giuliano, J., Vetter, L., MacDonald, M., Lee, J. Min, Seong, I. Sik, Fossale, E., Anderson, M. A., Wheeler, V., Gusella, J., Johnson, J., Yu, T., Jones, D., Chan, A., Richardson, K., McCusker, E., Loy, C., Griffith, J., Paulsen, J. S., Waters, S., Tedroff, J., Kieburtz, K., Krogh, P. Lindskov, Buusman, A., Rembratt, Å., Dorey, J., Lamure, M., Toumi, M., von der Schulenburg, J. -M. Graf, Pettersson, F., Dyhring, T., Sonesson, C., Waters, N., Pontén, H., Erwin, C., Williams, J., Juhl, A., Adams, W., Byars, J., O’Rourke, J., Flynn, A., Fiedorowicz, J., Duff, K., Leserman, A., Beglinger, L., Smith, M., Stout, J., Queller, S., Rao, S., Zimbelman, J., Groves, M., Guttman, M., Wexler, E., Perlman, S., Burgunder, J. -M., Rosenblatt, A., van Kammen, D., PREDICT-HD Investigators of the Huntington Study Group, TRACK-FID Investigators, TRACK-HD Investigators, PREDICT-HD Investigators and Coordinators of the Huntington Study Group, PREDICT-HD Investigators of the Huntington Study Group, Investigators of the Huntington Study Group, Huntington Study Group PHAROS Investigators, and PREDICT-HD Investigators of the Huntington Study Group

Published
2010
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31. 다육식물 : CITES 대상 식물 관리 지침

Author

Rutherford C, Groves M, Sajeva M, Rutherford C, Groves M, and Sajeva M

Subjects
CITES, succullent plant, Settore BIO/03 - Botanica Ambientale E Applicata, conservation
Abstract

이 지침서의 목적은 ‘멸종위기에 처한 야생동식물 종의 국제 거래에 관한 협약(Convention on International Trade in Endangered Species of Wild Fauna and Flora, 이하 ‘CITES’)’ 및 ‘유럽 야생동물 무역 규정(European Wildlife Trade Regulations, 이하 ‘EU WTR’)’에 따라 국제 거래를 규제 받는 다육식물 종과 그 부분물과 파생물을 소개하고 CITES 부속서 등재, 적용할 수 있는 기술, 단속 상의 문제, 추가 지원이나 정보 확보를 위한 자료 등을 설명하는데 있다. 이 지침서는 물을 저장하거나 손실을 줄일 수 있는 하나 이상의 기관을 가진 다육식물과 건조한 환경을 견디어 생육할 수 있 는 식물에 대하여 다룬다. 전 세계적 분포를 고려할 때, CITES에 등재된 다육식물은 18개 과에 해당하며, 아주 작은 식물에 서 큰 나무의 형태까지 다양하다. 선인장, Aloe속 및 대극속 식물이 주로 거래되는 다육식물이다. 건조한 상황에서 살아남을 수 있는 식물의 능력과 난방 장치의 발달로 자생지 외에서도 재배가 가능해지면서 다육식물은 실 내에서 기르는 식물로 인기가 높아졌다. 또한 건조한 환경에 강한 식물로 조경을 하는 건식 조경(xeriscaping)에서 필수 요 소로 인식되며, 야생에서 보이는 독특한 성장형태 또는 희귀성으로 인해 많은 식물 수집가들의 각광을 받고 있다. 이 지침 서는 다육식물의 거래와 관련한 여러 가지 정보를 제공하며, 특히 비전문가에게 어려울 수 있는 종 식별법과 다육식물 그룹 간의 차이를 보여준다. 다육식물의 분류 방법이나 학명은 복잡할 수 있으며 CITES 부속서에는 개별 종이 기재되기도 아니 면, 속이나 과 명칭으로 기재되기도 한다. 다육식물을 다루는 경우, 부속서 목록과 관련 문제를 확실히 이해하기 위하여 가 능한 식물 또는 분류 전문가에게 연락하는 것을 추천한다. CITES 부속서 목록 및 이 지침서에서 사용된 용어의 정의는 100 쪽의 용어 해설을 참조하면 된다.

Published
2019

48. Somatic SF3B1 Mutation in Myelodysplasia with Ring Sideroblasts

Author

Papaemmanuil, E., Cazzola, M., Boultwood, J., Malcovati, L., Vyas, P., Bowen, D., Pellagatti, A., Wainscoat, J. S., Hellstrom-Lindberg, E., Gambacorti-Passerini, C., Godfrey, A. L., Rapado, I., Cvejic, A., Rance, R., McGee, C., Ellis, P., Mudie, L. J., Stephens, P. J., McLaren, S., Massie, C. E., Tarpey, P. S., Varela, I., Nik-Zainal, S., Davies, H. R., Shlien, A., Jones, D., Raine, K., Hinton, J., Butler, A. P., Teague, J. W., Baxter, E. J., Score, J., Galli, A., Della Porta, M. G., Travaglino, E., Groves, M., Tauro, S., Munshi, N. C., Anderson, K. C., El-Naggar, A., Fischer, A., Mustonen, V., Warren, A. J., Cross, N. C.P., Green, A. R., Futreal, P. A., Stratton, M. R., and Campbell, P. J.

Published
2011
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